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Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

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Page 1: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Large Molecule ~Small Molecule

InteractionsProjects

By the Woonsocket Team:

Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Page 2: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Triphenyl PropylPhosphonium Bromide

• Physical Properties Appearance: white to

off-white crystal Weight 464.19amu

(385.28g/mol) Melting point: 235-239°C

• Hazards Irritant to eyes, respiratory

system, and skin.

Page 3: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Native Genomic DNA Melting

According to the graphs, the native genomic DNA had a melting point of

55°C.

40 45 50 55 60 65 70 75 80 85 90

-0.002

0

0.002

0.004

0.006

0.008

0.01

0.012

0.014

0.016

0.018

Native Genomic DNA Melt-ing Point- Derivative Plot

Tave

Del

ta A

/ D

elta

T

40 50 60 70 80 90 1001.0

1.1

1.2

1.3

1.4

1.5

Native Genomic DNA Melt-ing Point

Temperature (˚C)

Ab

sorb

ance

Page 4: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Treated Genomic DNA Melting

According to the graphs, through our experimental

difficulties, the melting point of the treated genomic DNA was

70°C.

40 45 50 55 60 65 70 75 80 85 90-0.004

-0.002

0

0.002

0.004

0.006

0.008

0.01

0.012

Genomic DNA Triphenyl Propyl Phosphonium

Bromide Melting Point - Derivative Plot

Tave

Del

ta A

/ D

elta

T

40 50 60 70 80 90 1001

1.1

1.2

1.3

1.4

1.5

Genomic DNA + Triphenyl Propyl Phosphonium Bromide Melting Point

Temperature (˚C)

Ab

sorb

ance

Page 5: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

Electrophoresis

1.5 1.6 1.7 1.8 1.9 2 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3 3.1 3.2 3.3 3.4 3.5 3.6 3.7 3.8 3.9 41,000

10,000

100,000Lambda Hind III Ladder

Distance (cm)

Bas

e P

airsFirst gel with compound

concentration of 5µlSecond gel with compound

concentrations of 2µl and 8µl

Page 6: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

Major GrooveEnergy = -917.494 kcal/mol

Page 7: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

Minor GrooveEnergy = -917.228 kcal/mol

Page 8: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

IntercalatedEnergy Before Optimization = 19850224519.55 kcal/mol

Energy After Optimization = - 906.903 kcal/mol

Page 9: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

Energy = 1517.968 kcal/mol

Page 10: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

Energy = 1529.708 kcal/mol

Page 11: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

HyperChem Predictions

Energy After Optimization = -311.449

Page 12: Large Molecule ~ Small Molecule Interactions Projects By the Woonsocket Team: Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre

In Conclusion…

According to our electrophoresis gel experiment, our compound of interest did not bind to the DNA.

According to our DNA melting, our compound of interest shifted the melting point of the genomic DNA.

According to our HyperChem predictions, our compound of interest has a very stable interaction with DNA.