Continued development of Probabilistic Molecular Dynamics Computer/Analytical models for the Cold Denaturation of Proteins Computer simulation of cell.

Slides:

Advertisements

Similar presentations

Introducing Stimuli-Responsiveness Into Polymeric Nanoparticles with

Advertisements

Gas Solubilities Henry’s Law: [A]equilibrium = SA · pA

Modeling Mesoscale Structure In Comb Polymer Materials for Anhydrous Proton Transport Applications Barry Husowitz Peter Monson.

Gas Transport. Learning Objectives Covering the the transport of O 2 and CO 2 in the blood and tissue fluids. Know how O 2 and CO 2 diffuse in pulmonary.

Intermolecular Attractions and the properties of liquids and Solids Chapter 12.

Proteins Topic 2.4 IBHL Biology. Introduction Proteins are a very important biological molecules that are involved in almost every activity that organisms.

Respiratory System Gas Transport.

Bio-bandage which injects medicine to organ directly using extension of the Hydrogel 서강대학교 화공생명공학과 연성물질공학연구실. 김정민 김영대 양태경 임승모 서강대학교 화공생명공학과 - 화공생명공학심화설계,

1 Thermodiffusion in Polymer Solutions Jutta Luettmer-Strathmann Department of Physics, The University of Akron, Akron, OH , USA Introduction.

How mechanical force regulates the function of proteins? Vesa Hytönen Research group of Professor Viola Vogel, Biologically Oriented.

Department of Chemical Engineering Kutlu Ülgen, Chair RESEARCH RESOURCES: 19 faculty members  Biomolecular.

Modeling Proteins at an Oil / Water Interface Chemistry Final Presentation Patrick Brunelle December 13, 2001.

Computer Simulations, Nucleation Rate Predictions and Scaling Barbara Hale Physics Department and Cloud and Aerosol Sciences Laboratory, University of.

The coiled coils in the design of protein-based constructs: hybrid hydrogels and epitope displays Aijun Tang a, Chun Wang b, Russell J. Stewart b, Jindrich.

Chapter 12: Solutions and other complex forces Many of the forces we’ve talked about occur between ions/molecules in solutions Definition: A homogeneous.

Elasticity and structural phase transitions in single biopolymer systems Haijun Zhou ( 周海军 ) Institute of Theoretical Physics, the Chinese Academy of Sciences,

A Monatomic System with a Liquid-Liquid Critical Point and Two Distinct Glassy States Sergey Buldyrev Department of Physics Yeshiva University Collaborators:

Gas Exchange and Transport. The driving force for pulmonary blood and alveolar gas exchange is the Pressure Differential – The difference between the.

Stimuli Responsive Polymers

CELL COMPOUNDS Water Acids, Bases & Buffers Water Acids, Bases & Buffers.

1 Stimuli Responsive Materials Derived from Poly(acrylamides) Greg Sorenson April 15, 2010 Mahanthappa Group University of Wisconsin - Madison.

Swelling and Collapse of Single Polymer Molecules and Gels Single polymer molecules If polymer chains are not ideal, interactions of non-neighboring monomer.

Bioseparation Technology

1 2 Homeostasis 3 Osmosis 4 Facilitated Diffusion.

A computational study of shear banding in reversible associating polymers J. Billen, J. Stegen +, A.R.C. Baljon San Diego State University + Eindhoven.

Topics in Human Pathophysiology Fall 2009 Instructor: Theresa Martin (CSM) Gilead Drug Safety and Public Health.

Chapter 11: Other Types of Phase Equilibria in Fluid Mixtures (selected topics)

Procedure for a conceptual design of a separation process 1. Definition of the separation problem 2. Accumulation of data of the substances involved 3.

Biological Properties ISSUES TO ADDRESS... Biomaterials definition Different types of interaction between body and foreign material What are main characteristics.

Protein purification always begin with intact tissue  Disrupt  Blender, homogenizer  Remove debris  Centrifugation  Precipitate/concentrate  Ammonium.

Protein oligomerization in homogenous protein solutions Crosslinker:GlutaraldehydeOHC-CH 2 -CH 2 -CH 2 -CHO Y. Wang and O. Annunziata Langmuir, 24,

Chem. 860 Molecular Simulations with Biophysical Applications Qiang Cui Department of Chemistry and Theoretical Chemistry Institute University of Wisconsin,

Study of Pentacene clustering MAE 715 Project Report By: Krishna Iyengar.

Laboratory of Molecular Simulations of Nano- and Bio-Materials Venkat Ganesan “Where molecules and models meet applications” Computations Fluid Mechanics.

Protein Folding and Modeling Carol K. Hall Chemical and Biomolecular Engineering North Carolina State University.

A new ansatz for thermodynamics of confined systems Harald Morgner Wilhelm Ostwald Institute for Physical and Theoretical Chemistry Leipzig University,

Tertiary Structure Globular proteins (enzymes, molecular machines)  Variety of secondary structures  Approximately spherical shape  Water soluble 

Problem Statement and Motivation Key Achievements and Future Goals Technical Approach Investigator: Hui Lu, Ph.D., Bioengineering, Collaborators: Julio.

A computational study of shear banding in reversible associating polymers J. Billen +, J. Stegen *, A.R.C. Baljon + + Department of Physics, San Diego.

Unit 4: Homeostasis and Transport

Incremental Integration of Computational Physics into Traditional Undergraduate Courses Kelly R. Roos, Department of Physics, Bradley University Peoria,

Reducing Computational Complexity in Polymer Modeling Mark P. Taylor, Hiram College, DMR Computer modeling of polymer systems is important for.

 Supercritical fluids:  Liquid-like density and solubility  Gas-like diffusivity and viscosity  An ideal medium for the purpose of deagglomerating.

Separates substances w/in a mixture based on their physical properties Used to: - analyze dyes in fibers - test for explosives or accelerants - check.

What are proteins??? Hair Fur Muscles Chemical messengers between cells Most diverse functions of any of the macromolecules we have discussed!!!

Molecular dynamics (4) Treatment of long-range interactions Computing properties from simulation results.

Movement Through The Cell Membrane. How Things Move in and Out of the Cell The cell membrane is selectively permeable, allowing some substances, but not.

Phase Behavior of Poly(N-isopropylmethacrylamide)

1 Proteins & Enzymes Ms. Dunlap. DO NOW! 5 MIN SILENTLY! 1. What are the 4 Macromolecules? 2. Enzymes are a part of which macromolecules? 3. What do you.

1 Proteins Proteins are polymers made of monomers called amino acids All proteins are made of 20 different amino acids linked in different orders Proteins.

TRANSPORT ACROSS THE CELL MEMBRANE SEC 4.2 & 4.3 P

Oxygen Transport and Asphyxia AnS 536 Spring 2016.

Chapter 5 Notes Homeostasis and Cell Transport. Diffusion The movement of molecules from an area of high concentration to an area of low concentration.

Proteins Mrs. Donohue.

MEMBRANE PERMEABILITY

Protein Proteins are found throughout living organisms.

IRG-2: Glass Transition of Irreversibly Adsorbed Nanolayers (DMR ) Rodney Priestley, Richard Register, Princeton University Thin polymer films.

Protein Structures: Thermodynamic Aspects (1)

1. Thermoresposive Poly(N-alkylacrylamide) family, including Poly(N,N-diethylacrylamide) and Poly(N-isopropylacrylamide) display volume phase transitions.

Statistical Mechanics of biological and material systems

Permeability of gases in glassy polymers by computer simulation

Materials Computation Center, University of Illinois

Computer simulation of cell aggregation & growth on a tissue scaffold

Chapter 18a The Endocrine System

Solvent-Temperature Superposition Rules for Predicting the Rheology of Wormlike Micellar Fluids Rajesh Khare, Department of Chemical Engineering, Texas.

Transport through Membrane

Introduction to Biophysics Lecture 17 Self assembly

The sum of proteins that can be synthesized by an organism

Thermosensitive chitosan hydrogels for biomaterial applications

Presentation transcript:

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

Folding a Polymer Chain into a Simulation Box

CO 2 Diffusion by Probabilistic Molecular Dynamics

Solubility by Monte Carlo Simulation CO 2

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

Coil-Globule Transitions Coil: S ~ r 3/5 Globule: S ~ r 1/3 T x T=  F UCST LCST Heating-induced CGT (HCGT) Cooling-induced CGT (CCGT) Globule: S ~ r 1/3

Similarity to Gas-Liquid Transition

Globular Protein Structure

Motivations Cold–denaturation of proteins Drug delivery applications

Smart Hydrogels 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.

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.

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

Selected Recent Publications “ Gas Diffusion in Glasses via a Probabilistic Molecular Dynamics” Frank T. Wilmore and Isaac C. Sanchez, J. Chem. Phys. 126, , (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, , (2009). “Pressure Effects on Polymer Coil-Globule Transitions near an LCST” David S. Simmons and Isaac C. Sanchez, Macromolecules 43, 1571–1574 (2010).