Logan - Revision history

Logan Evans at 22:14, 15 April 2021

2021-04-15T22:14:43Z

Logan Evans at 22:14, 15 April 2021

2021-04-15T22:14:20Z

Logan Evans at 22:12, 15 April 2021

2021-04-15T22:12:28Z

Logan Evans: /* Electrostatic Potential Map of Full Molecule of Humulone */

2021-04-15T21:53:35Z

Electrostatic Potential Map of Full Molecule of Humulone

Logan Evans: /* Electrostatic Potential Map of Full Molecule of Humulone */

2021-04-15T21:53:23Z

Electrostatic Potential Map of Full Molecule of Humulone

Logan Evans: /* Electrostatic Potential Map of Full Molecule of Humulone */

2021-04-15T21:53:08Z

Electrostatic Potential Map of Full Molecule of Humulone

Logan Evans at 21:52, 15 April 2021

2021-04-15T21:52:33Z

Logan Evans at 21:39, 15 April 2021

2021-04-15T21:39:17Z

Logan Evans at 21:34, 15 April 2021

2021-04-15T21:34:05Z

Logan Evans at 21:31, 15 April 2021

2021-04-15T21:31:59Z

@@ Line 2: / Line 2: @@
 In this experiment, I will be looking at the electrostatic potential of these alpha acids, which are present in hops. This will be done using WebMo. In my chromatographic experiments, cohumulone elutes alone, while humulone and adhumulone elute together in one peak. My hypothesis is that humulone and adhumulone will have similar electrostatic maps, displaying the similarity in their polarities (the reason they would elute together).
-==HPLC Trace==
+===HPLC Trace===
 [[File:HPLC Trace.jpg|400px]]

@@ Line 5: / Line 5: @@
 [[File:HPLC Trace.jpg|400px]]
-This image shows the elution of the molecules. The first peak is cohumulone, while the second is the adhumulone and humulone. Please refrain from looking into peaks 3 and 4, these are the beta acids and do not pertain to this exact discussion. It should be noted that this exact experiment could be ran for the beta acids (lupulone, colupulone, and adlupulone).
+This image shows the elution of the molecules. The first line shows all of the peaks in one of my experiments. The first peak is cohumulone, while the second is the adhumulone and humulone. Please refrain from looking into peaks 3 and 4, these are the beta acids and do not pertain to this exact discussion. It should be noted that this exact experiment could be ran for the beta acids (lupulone, colupulone, and adlupulone).
 ==Why Alpha Acids?==

@@ Line 1: / Line 1: @@
 =A Computational Analysis of Electrostatic Potential in Humulone, Cohumulone, and Adhumulone=
 In this experiment, I will be looking at the electrostatic potential of these alpha acids, which are present in hops. This will be done using WebMo. In my chromatographic experiments, cohumulone elutes alone, while humulone and adhumulone elute together in one peak. My hypothesis is that humulone and adhumulone will have similar electrostatic maps, displaying the similarity in their polarities (the reason they would elute together).
 ==Why Alpha Acids?==

@@ Line 24: / Line 24: @@
 ==Electrostatic Potential Map of Full Molecule of Humulone==
-'''Humulone'''
+;'''Humulone'''
 [[File:Humulone (full) e- potential.png|400px]]
 Here we see the electrostatic potential map of the full humulone molecule. This could provide the start of further inquiries into this topic, as it could be compared to the full molecules of adhumulone and cohumulone.

@@ Line 24: / Line 24: @@
 ==Electrostatic Potential Map of Full Molecule of Humulone==
-:Humulone
+'''Humulone'''
 [[File:Humulone (full) e- potential.png|400px]]
 Here we see the electrostatic potential map of the full humulone molecule. This could provide the start of further inquiries into this topic, as it could be compared to the full molecules of adhumulone and cohumulone.

← Older revision		Revision as of 21:39, 15 April 2021
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	==Electrostatic Potential Map of Full Molecule of Humulone==		==Electrostatic Potential Map of Full Molecule of Humulone==
	[[File:Humulone (full) e- potential.png\|400px]]		[[File:Humulone (full) e- potential.png\|400px]]
		+
		+	Here we see the electrostatic potential map of the full humulone molecule. This could provide the start of further inquiries into this topic, as it could be compared to the full molecules of adhumulone and cohumulone.

← Older revision		Revision as of 21:34, 15 April 2021
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	Here we see the electrostatic potential maps of the three compounds. It should be noted that these maps are not of the exact molecules. The large alkyl substituents off of the center ring were removed, as we decided that these would not play an integral role in the electrostatic potential of the molecule and remained the same in each molecule. In Flash Chromatography (reverse phase, C-18 columns), cohumulone separates independently, but adhumulone and humulone do not separate from each other. Instead, they elute in the same peak. Based on our electrostatic maps, this seems suprising. The humulone and cohumulone maps appear to be more similar than humulone and adhumulone. The cohumulone has more electrostaic potential on the oxygen near the top right of the molecule, while the other two do not exhibit this. One would assume that the polarity of the cohumulone and humulone would be more similar due to this, but this does not appear to be the case. Overall, this experiment did not provide positive results for the hypothesis, and further calculations would need to be performed to understand this phenomenon.		Here we see the electrostatic potential maps of the three compounds. It should be noted that these maps are not of the exact molecules. The large alkyl substituents off of the center ring were removed, as we decided that these would not play an integral role in the electrostatic potential of the molecule and remained the same in each molecule. In Flash Chromatography (reverse phase, C-18 columns), cohumulone separates independently, but adhumulone and humulone do not separate from each other. Instead, they elute in the same peak. Based on our electrostatic maps, this seems suprising. The humulone and cohumulone maps appear to be more similar than humulone and adhumulone. The cohumulone has more electrostaic potential on the oxygen near the top right of the molecule, while the other two do not exhibit this. One would assume that the polarity of the cohumulone and humulone would be more similar due to this, but this does not appear to be the case. Overall, this experiment did not provide positive results for the hypothesis, and further calculations would need to be performed to understand this phenomenon.
		+
		+	==Electrostatic Potential Map of Full Molecule of Humulone==
		+	[[File:Humulone (full) e- potential.png\|400px]]

@@ Line 1: / Line 1: @@
 =A Computational Analysis of Electrostatic Potential in Humulone, Cohumulone, and Adhumulone=
-In this experiment, I will be looking at the electrostatic potential of these alpha acids, which are present in hops. In my chromatographic experiments, cohumulone elutes alone, while humulone and adhumulone elute together in one peak. My hypothesis is that humulone and adhumulone will have similar electrostatic maps, displaying the similarity in their polarities (the reason they would elute together).
+In this experiment, I will be looking at the electrostatic potential of these alpha acids, which are present in hops. This will be done using WebMo. In my chromatographic experiments, cohumulone elutes alone, while humulone and adhumulone elute together in one peak. My hypothesis is that humulone and adhumulone will have similar electrostatic maps, displaying the similarity in their polarities (the reason they would elute together).
 ==Structures of Humulone, Cohumulone, and Adhumulone==
 {|
@@ Line 17: / Line 17: @@
 |}
-Here we see the electrostatic potential maps of the three compounds. In Flash Chromatography (reverse phase, C-18 columns), cohumulone separates independently, but adhumulone and humulone do not separate from each other. Instead, they elute in the same peak. Based on our electrostatic maps, this seems suprising. The humulone and cohumulone maps appear to be more similar than humulone and adhumulone. The cohumulone has more electrostaic potential on the oxygen near the top right of the molecule, while the other two do not exhibit this. One would assume that the polarity of the cohumulone and humulone would be more similar due to this, but this does not appear to be the case. Overall, this experiment did not provide positive results for the hypothesis, and further calculations would need to be performed to understand this phenomenon.
+Here we see the electrostatic potential maps of the three compounds. It should be noted that these maps are not of the exact molecules. The large alkyl substituents off of the center ring were removed, as we decided that these would not play an integral role in the electrostatic potential of the molecule and remained the same in each molecule. In Flash Chromatography (reverse phase, C-18 columns), cohumulone separates independently, but adhumulone and humulone do not separate from each other. Instead, they elute in the same peak. Based on our electrostatic maps, this seems suprising. The humulone and cohumulone maps appear to be more similar than humulone and adhumulone. The cohumulone has more electrostaic potential on the oxygen near the top right of the molecule, while the other two do not exhibit this. One would assume that the polarity of the cohumulone and humulone would be more similar due to this, but this does not appear to be the case. Overall, this experiment did not provide positive results for the hypothesis, and further calculations would need to be performed to understand this phenomenon.