MC Chem Wiki - User contributions [en]

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T21:55:17Z

Alisontrettin: /* Conclusion */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using the Hartree-Fock theory and 6-31G basis set to calculate molecular energy.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set. The numbers in the chart can be found by looking at the above figures, the numbers correspond with specific compounds. The ΔE of reaction a was also calculated by using the Products - Reactants formula.

{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

'''ΔE Calculations'''

The multiple reactions are denoted by letters a through w. The ΔE calculation was done by converting the energy values from the chart to kcal/mol. The conversion factor is 627.51 kcal/mol = 1 Hartree. I took Products - Reactants to get my ΔE.

The reaction:
Ninhydrin+alanine --> 1 +H2O

(-889.50 Hartree + -75.98 Hartree) - (-643.27 Hartree + -321.77 Hartree) = -0.44 Hartree

-.044 Hartree * 627.51 kcal/mol = 276.1 kcal/mol

*My ΔE value was different than the original paper's value was. They got the value of 7.08 kcal/mol.

===Conclusion===
It can be concluded that under high temperatures, where extra energy is available, this reaction is energetically feasible. All three different mechanisms work best under high temperature conditions. The multiple reaction paths lead to higher yields of Ruhemann's purple. Higher yields of Ruhemann's purple creates more of a chromophore when it reacts with the amino acid.

===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T21:50:19Z

Alisontrettin: /* Calculations */

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T21:50:00Z

Alisontrettin: /* Calculations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using the Hartree-Fock theory and 6-31G basis set to calculate molecular energy.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set. The numbers in the chart can be found by looking at the above figures, the numbers correspond with specific compounds. The ΔE of reaction a was also calculated by using the Products - Reactants formula.

{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

'''ΔE Calculations'''
The multiple reactions are denoted by letters a through w. The ΔE calculation was done by converting the energy values from the chart to kcal/mol. The conversion factor is 627.51 kcal/mol = 1 Hartree. I took Products - Reactants to get my ΔE.

The reaction:
Ninhydrin+alanine --> 1 +H2O

(-889.50 Hartree + -75.98 Hartree) - (-643.27 Hartree + -321.77 Hartree) = -0.44 Hartree

-.044 Hartree * 627.51 kcal/mol = 276.1 kcal/mol

*My ΔE value was different than the original paper's value was. They got the value of 7.08 kcal/mol.

===Conclusion===
===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T21:06:39Z

Alisontrettin: /* Calculations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using the Hartree-Fock theory and 6-31G basis set to calculate molecular energy.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set. The numbers in the chart can be found by looking at the above figures, the numbers correspond with specific compounds.
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Conclusion===
===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T21:05:59Z

Alisontrettin:

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using the Hartree-Fock theory and 6-31G basis set to calculate molecular energy.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set.
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Conclusion===
===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:53:26Z

Alisontrettin:

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using the Hartree-Fock theory and 6-31G basis set to calculate molecular energy.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set.
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:52:18Z

Alisontrettin: /* Calculations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
The molecular energy calculations were ran with WebMo/Gaussian using the Hartree-Fock theory and 6-31G basis set.
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:48:12Z

Alisontrettin: /* Citations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:47:17Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.<ref>[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]</ref>

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. [[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]

2.[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:45:56Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.<ref>[[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]</ref> In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. [[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]

2.[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:41:20Z

Alisontrettin: /* Citations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. [[:Media:fingerprinting.pdf| Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.]]

2.[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]

File:Fingerprinting.pdf

2021-04-15T20:40:59Z

Alisontrettin: File uploaded with MsUpload

File uploaded with MsUpload

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:40:22Z

Alisontrettin: /* Citations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2.[[:Media:AlanineReactivity.pdf| Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:39:58Z

Alisontrettin: /* Citations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2.[[:File:AlanineReactivity.pdf|Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.]]

File:AlanineReactivity.pdf

2021-04-15T20:39:17Z

Alisontrettin: File uploaded with MsUpload

File uploaded with MsUpload

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:34:12Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are used, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of a ninhydrin spray to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:32:16Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:32:00Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2.Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:31:37Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2.Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.30.51 PM.png|600px]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

File:Screen Shot 2021-04-15 at 3.30.51 PM.png

2021-04-15T20:31:10Z

Alisontrettin: File uploaded with MsUpload

File uploaded with MsUpload

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:29:27Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 2.Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart.]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 3. Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:28:22Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px|thumb|center|Figure 1. McCaldin Mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px|thumb|center|Figure 2. Lamothe mechanism. The numbers of the compounds correspond with the numbers in the chart]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px|thumb|center|Figure 3.Friedman mechanism. The numbers of the compounds correspond with the numbers in the chart.]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:23:59Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|600px]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|600px]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|600px]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:23:29Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|800px]][[File:Screen Shot 2021-04-15 at 3.22.09 PM.png|800px]][[File:Screen Shot 2021-04-15 at 3.22.29 PM.png|800px]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

File:Screen Shot 2021-04-15 at 3.22.29 PM.png

2021-04-15T20:23:21Z

Alisontrettin: File uploaded with MsUpload

File uploaded with MsUpload

File:Screen Shot 2021-04-15 at 3.22.09 PM.png

2021-04-15T20:23:09Z

Alisontrettin: File uploaded with MsUpload

File uploaded with MsUpload

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:21:34Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|400px]][[File:Screen Shot 2021-04-15 at 3.18.48 PM.png|400px]][[File:Screen Shot 2021-04-15 at 3.19.28 PM.png|400px]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:21:11Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

[[File:Screen Shot 2021-04-15 at 3.17.49 PM.png|200px]][[File:Screen Shot 2021-04-15 at 3.18.48 PM.png|200px]][[File:Screen Shot 2021-04-15 at 3.19.28 PM.png|200px]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

File:Screen Shot 2021-04-15 at 3.19.28 PM.png

2021-04-15T20:20:50Z

Alisontrettin: File uploaded with MsUpload

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File:Screen Shot 2021-04-15 at 3.18.48 PM.png

2021-04-15T20:20:14Z

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File:Screen Shot 2021-04-15 at 3.17.49 PM.png

2021-04-15T20:20:05Z

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Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:16:47Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:16:31Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|right|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:16:11Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb||Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:15:57Z

Alisontrettin: /* Background */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]]
[[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb||Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:15:33Z

Alisontrettin: /* Citations */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.

2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Computational Projects 01

2021-04-15T20:14:49Z

Alisontrettin:

The following links contain information related to computational projects done during the spring 2021 Chem-322 course.

[[Homolytic_Bond_Dissociation_Energies|Homolytic Bond Dissociation Energies]]

[[Logan|Logan]]

[[Victoria|Victoria]]

[[Alex|Alex]]

[[Rotational Energy Barrier Analysis of the Middle C-C Bond in P3HT Like Compounds|Sara]]

[[Taylor|Taylor]]

[[Acetaminophen_Radicals|Acetaminophen Radicals]]

[[Robert|Robert]]

[[Hannah|Hannah]]

[[Justin|Justin]]

[[Ninhydrin Reaction with Alanine in Latent Fingerprints]]

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:14:10Z

Alisontrettin: /* The Ninhydrin Reaction with Alanine in Latent Fingerprints */

This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Ninhydrin Reaction with Alanine in Latent Fingerprints

2021-04-15T20:13:27Z

Alisontrettin: Created page with "==The Ninhydrin Reaction with Alanine in Latent Fingerprints == This is an ab initio computational chemistry project and all energies of the compounds in this multi-step react..."

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|200px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Computational Projects 01

2021-04-15T20:13:09Z

Alisontrettin:

The following links contain information related to computational projects done during the spring 2021 Chem-322 course.

[[Homolytic_Bond_Dissociation_Energies|Homolytic Bond Dissociation Energies]]

[[Logan|Logan]]

[[Alison|Alison]]

[[Victoria|Victoria]]

[[Alex|Alex]]

[[Rotational Energy Barrier Analysis of the Middle C-C Bond in P3HT Like Compounds|Sara]]

[[Taylor|Taylor]]

[[Acetaminophen_Radicals|Acetaminophen Radicals]]

[[Robert|Robert]]

[[Hannah|Hannah]]

[[Justin|Justin]]

[[Ninhydrin Reaction with Alanine in Latent Fingerprints]]

Alison

2021-04-15T20:09:18Z

Alisontrettin: /* Background */

Alison

2021-04-15T20:09:07Z

Alisontrettin: /* Background */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|200px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|400px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Alison

2021-04-15T20:06:33Z

Alisontrettin: /* Background */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|Alanine|thumb|center|Alanine]] [[File:1200px-Ninhydrin.svg.png|400px|Ninhydrin|thumb|center|Ninhydrin]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

File:1200px-Ninhydrin.svg.png

2021-04-15T20:05:48Z

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Alison

2021-04-15T20:05:07Z

Alisontrettin: /* Calculations */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|Alanine|thumb|center|Alanine]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-
|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Alison

2021-04-15T20:04:39Z

Alisontrettin:

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|Alanine|thumb|center|Alanine]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-|}

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Alison

2021-04-15T20:02:32Z

Alisontrettin: /* Background */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|Alanine|thumb|center|Alanine]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Alison

2021-04-15T20:01:13Z

Alisontrettin: /* Background */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|Alanine]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

Alison

2021-04-15T20:00:49Z

Alisontrettin: /* Background */

==The Ninhydrin Reaction with Alanine in Latent Fingerprints ==
This is an ab initio computational chemistry project and all energies of the compounds in this multi-step reaction were calculated via WebMo, using Hartree-Fock 6-31G geometry optimization.
===Background===
Fingerprinting is an important tool used in forensic science and solving crimes. Latent fingerprints is one of the easiest ways to connect an individual with the crime. These types of fingerprints are created when any surface is touched and there is a transfer of a thin layer of chemical residue from the tips of your fingers. Multiple methods of lifting fingerprints are available, but chemical methods is the most effective for nonporous surfaces.1 In this project, I am focusing on the use of ninhydrin to lift a fingerprint. Ninhydrin reacts with the proteins in the latent fingerprint and create an amino acid residue that becomes a purple color after a multi-step reaction. The ninhydrin condenses the primary amine of an amino acid, alanine in this case, to form an imine. The resulting imine decarboxylates and hydrolyzes in water to form another primary amine that condenses with a second ninhydrin molecule to form Ruhemann's purple.2

[[File:1200px-L-Alanin_-_L-Alanine.svg.png|400px|CaptionAlanine]]

===Calculations===
{| class="wikitable"
|-
! Structure !! Energy (Hartree) !! Run Time
|-
| Ninhydrin || -643.27 || 7.3 sec
|-
| Alanine || -321.77 || 2.1 sec
|-
| 1 || -889.50 || 27.6 sec
|-
| 2 || -626.84|| 21.3 sec
|-
| 3 || -548.97 || 10.6 sec
|-
| Acetaldehyde || -152.91 || 0.6 sec
|-
| 4 || -625.77 || 16.7 sec
|-
| 5 || -1041.85 || 43.0 sec
|-
| 5' || -1117.79 || 50.4 sec
|-
| 6 || -568.77 || 9.7 sec
|-
| 7 || -568.84 || 9.9 sec
|-
| 8 || -1128.16 || 7 min 11 sec
|-
| 9 || 547.69 || 9.7 sec
|-
| 10 || -567.65 || 4.9 sec
|-
| 11 || -813.39 || 24.3 sec
|-
| 12 || -625.82 || 14.1 sec
|-
| Ruhemann's purple, isomer 1 || -1040.48 || 1 min 15 sec
|-
| Ruhemann's purple, isomer 2 || -1040.57 || 1 min 1 sec
|-
| Ruhemann's purple, isomer 3 || -1041.07 || 2 min 43 sec
|-
| Water || -75.98 || 0.6 sec
|-
| Carbon Dioxide || -185.58 || 0.6 sec
|-
| Ammonia || -56.10 || 0.6 sec
|-

===Citations===
1. Friesen, J.B. Forensic Chemistry: The Revelation of Latent Fingerprinting. Journal of chemical education, 2015. 92: p. 497-504.
2. Petraco et al. Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. Journal of Forensic Science, 2006. 51: 6. p. 1267-1275.

File:1200px-L-Alanin - L-Alanine.svg.png

2021-04-15T20:00:26Z

Alisontrettin: File uploaded with MsUpload

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