Statistical Thermodynamics of Polymers with a Biophysics Emphasis - - PowerPoint PPT Presentation

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Statistical Thermodynamics of Polymers with a Biophysics Emphasis - - PowerPoint PPT Presentation

Nov 17, 2022 347 likes •499 views

Available Theoretical/Computational Research Projects Isaac C. Sanchez Statistical Thermodynamics of Polymers with a Biophysics Emphasis Continued development of Probabilistic Molecular Dynamics Computer/Analytical models for the Cold

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Continued development of Probabilistic Molecular Dynamics Computer/Analytical models for the Cold Denaturation of Proteins Computer simulation of cell aggregation & growth onto a tissue scaffold Available Theoretical/Computational Research Projects Isaac C. Sanchez Statistical Thermodynamics of Polymers with a Biophysics Emphasis

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Folding ding a Polym ymer er Chain n into

  • a Simulation

lation Box

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CO2

Diffusio usion n by Probab abilist listic ic Molecular cular Dynami mics cs

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Solubili bility ty by Monte te Carlo lo Simulat ation ion

CO2

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Computer/Analytical models for the Cold Denaturation of Proteins Computer simulation of cell aggregation & growth onto a tissue scaffold Continued development of Probabilistic Molecular Dynamics Available Theoretical/Computational Research Projects Isaac C. Sanchez Statistical Thermodynamics of Polymers with a Biophysics Emphasis

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Coil-Globule Transitions

Coil: S ~ r3/5 Globule: S ~ r1/3

T

x

T=F UCST LCST Heating-induced CGT (HCGT) Cooling-induced CGT (CCGT)

Globule: S ~ r1/3

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Similarity to Gas-Liquid Transition

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Globul lobular ar Pr Protein tein St Stru ructure cture

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Mo Moti tivations vations

  • Cold–denaturation of proteins
  • Drug delivery applications
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Smart art Hydr drogels

  • gels
  • Hydrogels are made by cross-linking a

water soluble polymer.

  • Expansion-contraction transition

temperature is the approximately the same as the transition temperature of the uncross- linked polymer.

  • Hydrogels can be made to be target specific.
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The Dream

Imagine delivering a drug imbibed in a gel via the blood stream to a diseased body part or organ. On arrival the gel interacts with the diseased cells releasing the drug with the gel safely dissolving.

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Recent PhD Titles

  • Phase and Conformational Behavior of LCST-driven

Stimuli Responsive Polymers

  • Effects of Supercritical Fluids on Thin Polymer Films
  • Empty Space and How Things Move Around in It
  • Monte Carlo Studies of Polymer Chain Solubility in Water
  • Exploring Solvent Properties of High Pressure CO2 via

Computer Simulation

  • Monte Carlo Approaches to the Protein Folding Problem
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Selected Recent Publications

  • “Gas Diffusion in Glasses via a Probabilistic Molecular Dynamics”

Frank T. Wilmore and Isaac C. Sanchez, J. Chem. Phys. 126, 234502, (2007) .

  • “Welding Immiscible Polymers with a Supercritical Fluid,”

Xiaochu Wang and Isaac C. Sanchez, Langmuir 23, 12192, 2007

  • “Structural, Sorption and Transport Characteristics of an Ultrapermeable Polymer,” Xiao-

Yan Wang, Anita Hill, Benny D. Freeman, & Isaac C. Sanchez, J. Membrane Sci., 314, 15, (2008).

  • “A Model for a Thermally Induced Polymer Coil-to-Globule Transition,”

David S. Simmons and Isaac C. Sanchez, Macromolecules, 41, 5885 (2008).

  • “On the Asymptotic Properties of a Hard Sphere Fluid,”

Isaac C. Sanchez and Jang S. Lee, , J. Phys. Chem. B, 113, 15572-15580, (2009).

  • “Pressure Effects on Polymer Coil-Globule Transitions near an LCST”

David S. Simmons and Isaac C. Sanchez, Macromolecules 43, 1571–1574 (2010).