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Polymer Dynamics, Rheology, and Flow

Go to: Polymers / DNA / Lipids, Peptides & Surfactants / Microfluidics and Devices / Books and Book Chapters / Top of page

Y. Gong, V. Ginzburg, S. Vervoort, J. Den Doelder, and R.G. Larson, J. Rheol., 65 2021 , “Strategy for reducing molecular ensemble size for efficient rheological modeling of commercial polymers.”

R. Hall, P.S. Desai, B.-G. Kang, Q.F. Huang, S. Lee, T. Chang, D.C. Venerus, J. Mays, K. Ntetsikas, G. Polymeropoulos, N. Hadjichristidis, and R.G. Larson Macromolecules, 52:7831-7846 2019, “Assessing the Range of Validity of Current Tube Models through Analysis of a Comprehensive Set of Star-Linear 1,4-Polybutadiene Polymer Blends.”

S. Moghadam, I.S. Dalal, and R.G. Larson, Polymers, 11:465 2019, “Slip-Spring and Kink Dynamics Models for Fast Extensional Flow of Entangled Polymeric Fluids.”

S. Moghadam, I.S. Dalal, and R.G. Larson, Macromolecules 52:1296-1307 2019, “Unraveling Dynamics of Entangled Polymers in Strong Extensional Flows.” 

R. Hall, B.-G. Kang, S. Lee, T. Chang, D.C. Venerus, N. Hadjichristidis, J. Mays, and R.G. Larson Macromolecules, 52:1757-1771 2019. “Determining the Dilution Exponent for Entangled 1,4-Polybutadienes Using Blends of Near-Monodisperse Star with Unentangled, Low Molecular Weight Linear Polymers.”

M. Mohammadi, A. Salehi, R.J. Branch, L.J Cygan, C.G. Besirli, and R.G. Larson, ChemPhysChem 18:128-141 2017 “Growth Kinetics in Layer-by-Layer Assemblies of Organic Nanoparticles and Polyelectrolytes.”

W. Zou and R.G. Larson, Soft Matter 12:6757-6770 2016 “A hybrid Brownian dynamics/constitutive model for yielding, aging, and rejuvenation in deforming polymeric glasses.”

A. Salehi, J. Zhao, T.D. Cabelka, and R.G. Larson, Journal of Controlled Release 224:43-582016 “A unified multicomponent stress-diffusion model of drug release from non-biodegradable polymeric matrix tablets.”

P.S. Desai, B.G. Kang, M. Katzarova, R. Hall, Q. Huang, S. Lee, M. Shivokhin, T. Chang, D.C. Venerus, J. Mays, J.D. Schieber, and R.G. Larson, Macromolecules 49:4964-4977 2016 “Challenging Tube and Slip-Link Models: Predicting the Linerar Rheology of Blends of Well-characterized Star and Linear 1,4-Polybutadienes.”

D.J. Beltran-Villegas, L. Colon-Melendez, M. Solomon, and R.G. Larson, Journal of Colloid and Interface Science 463:242-257 2016 “Kinetic modeling and design of colloidal lock and key assembly.”

G. Zhu, H. Rezvantalab, E. Hajizadeh, X. Wang, and R.G. Larson, Journal of Rheology 60:327-343 2016 “Stress-gradient-induced polymer migration: Perturbation theory and comparisons to stochastic simulations.”

H. Rezvantalab, H. Zhu, R.G. Larson, Soft Matter 12:5883-5897 2016 “The effect of wall depletion and hydrodynamic interactions on stress-gradient-induced polymer migration.”

R.G. Larson and P.S. Desai,Annual Reveiw of Fluid Mechanics 47:47-65 2015 “Modeling the rheology of polymer melts and solutions.”

S.J. Park, P.S. Desai, X. Chen and R.G. Larson, Macromolecules 48:4122-4131 2015 “Univeral Relaxation Behavior of Entangled 1,4-Polybutdiene Melts in the Transition Frequency Region.”

A. Salehi, P.S. Desai, J. Lei, C.A. Steele and R.G. Larson, Macromolecules 48:400-409 2015 “Relationship between Polyelectrolyte Bulk Complexation and Kinetics of Their Layer-by-Layer Assembly.”

I.S. Dalal, and R.G. Larson, Macromolecules 46:1981-1992 2013 “Explaining the Absence of High-Frequency Viscoelastic Relaxation Modes of Polymers in Dilute Solutions.”

E.N. Cline, M.H. Li, S.K. Choi, J.F. Herbstman, E. Meyhofer, G. Skiniotis, N. Kaul, J.R. Baker,  R.G. Larson, and N.G. Walter, Biomacromolecules, 14:654-664 2013 “Paclitaxel-Conjugated PAMAM Dendrimers Adversely Affect Microtubule Structure through Two Independent Modes of Action.”

I.S. Dalal, N. Hoda, and R.G. Larson, J. Rheol. 56:305-332 2012 “Multiple Regimes of Deformation in Shearing Flow of Isolated Polymers.”

I.S. Dalal, A. Albaugh, N. Hoda, and R.G. Larson, Macromolecules 45:9493-9499 2012 “Tumbling and Deformation of Isolated Polymer Chains in Shearing Flow.”

S.M. Fielding, R.G. Larson, and M.E. Cates, Phys. Rev. Lett.,  108.048301, 2012; “Simple Model for the Deformation-Induced Relaxation of Glassy Polymers.”

Z.W. Wang, A.E. Likhtman, and R.G. Larson,  Macromolecules, 45: 3557-3570 2012 “Segmental Dynamics in Entangled Linear Polymer Melts.”

M.S. Rahman, H. Lee, X. Chen, T. Chang, R. Larson, and J. Mays ACS Macro Letts, 1: 537-540 2012  “Model Branched Polymers: Synthesis and Characterization of Asymmetric H-Shaped Polybutadienes.”

X. Chen, M. Rahman, H. Lee, J. Mays, T. Chang, and R. Larson, Macromolecules, 44:7799–7809 2011 “Combined synthesis, TGIC characterization, and rheological measurement and prediction of symmetric H polybutadienes and their blends with linear and star-shaped polybutadienes.”

R.G. Larson, Science 333:1843-1844 2011 Perspective: “Predicting the Flow of Real Polymers”

X. Chen, F.J. Stadler, H. Munstedt, and R.G. Larson, J. Rheol. 54:393-406 2010 “Method for Obtaining Tube Model Parameters for Commercial Ethene/Alpha-Olefin Copolymers.”

X. Chen, C. Costeux, and R.G. Larson J. Rheol., 54:1185-1205 2010 “Characterization and Prediction of Long-Chain Branching in Commercial Polyethylenes by a Combination of Rheology and Modeling Methods.”

N. Hoda and R.G. Larson J. Rheol. 54:1061-1081 2010 “Brownian Dynamics Simulations of Single Polymer Chains With and Without Self-Entanglements Under Imposed Flow Fields.”

Z.W. Wang, X. Chen, and R.G. Larson, J. Rheol. 54:223-260 2010 “Comparing Tube Models for Predicting the Linear Rheology of Branched Polymer Melts.”

X. Chen, F.J. Stadler, H. Munstedt, and R.G. Larson, J. Rheol. 54:393-406 2010 “Method for Obtaining Tube Model Parameters for Commercial Ethene/Alpha-Olefin Copolymers.”

N. Hoda and R.G. Larson, J. Phys. Chem. B, 42:8851-8863 2009 “Modeling the buildup of exponentially growing polyelectrolyte multilayer films.” Erratum: 43:580 2010.

S. Jain, I.S. Dalal, N. Orichella, J. Shum, and R.G. Larson, Chem. Eng. Sci. 64:4566-4571 2009, “Do bending and torsional potentials affect the unraveling dynamics of flexible polymer chains in extensional or shear flows?”

Y. Heo, and R.G. Larson,  Macromolecules, 41:8903-8915 2008, “Universal Scaling of Linear and Nonlinear Rheological Properties of Semi-Dilute and Concentrated Polymer Solutions.”

X. Chen, and R.G. Larson, Macromolecules 41:6871-6872, 2008 “Effect of branch point position on the linear rheology of asymmetric star polymers.”

Y. Heo, and R.G. Larson, Macromolecules 41:8903-8915, 2008 “Universal scaling of linear and nonlinear rheological properties of semi-dilute and concentrated polymer solutions.”

Z.W. Wang and R.G. Larson, Macromolecules 41:4945-4960, 2008 “Constraint release in entangled binary blends of linear polymers: A molecular dynamics study.”

S.P. Holleran and R.G. Larson, Rheol. Acta 47:3-17, 2008 “Using Spring Repulsions to model entanglement interactions in Brownian dynamics simulations of bead-spring chains.”

N. Watari, M. Doi, and R.G. Larson, Phys. Rev. E 78:011801, 2008 "Fluidic trapping of deformable polymers in micro-flows."

R.G. Larson, Complex Systems 982:419-428, 2008 “Addressing unsolved mysteries of polymer viscoelasticity.”

S.P. Holleran and R.G. Larson, Macromolecules 41:5042-5054, 2008 “Multiple regimes of collision of an electrophoretically translating polymer chain against a thin post.”

S. Jain and R.G. Larson, Macromolecules 41:3692-3700, 2008 “Effects of bending and torsional potentials on high-frequency viscoelasticity of dilute polymer solutions.”

L. Fang, C.-C. Hsieh, and R.G. Larson, Macromolecules 40:8490-8499, 2007 “Molecular imaging of shear-induced polymer migration in dilute solutions near a surface.”

L. Fang and R.G. Larson, Macromolecules 40:8784-8787, 2007 “Concentration dependence of shear-induced polymer migration in DNA solutions near a surface.”

R.S. Graham and R.G. Larson, Macromolecules 40:366-378, 2007 “Coarse-grained Brownian dynamics simulations of electrophoresis of DNA molecules by generalizing reptation models.”

Z. Chen, R.S. Graham, M.A. Burns, and R.G. Larson, Electrophoresis 28:2783-2800, 2007 “Modeling ssDNA electrophoretic migration with band broadening in an entangled or cross-linked network.”

S. Shanbhag, S.J. Park, Q. Zhou, and R.G. Larson, Molecular Physics 105:249-260, 2007 “Implications of microscopic simulations of polymer melts for mean-field tube theories.”

Q. Zhou and R.G. Larson, Macromolecules 40:3443-3449, 2007 “Direct molecular dynamics simulation of branch point motion in asymmetric star polymer melts.”

R.G. Larson, J. Polym Sci. B. Polym. Phys. Ed. 45:3240-3248, 2007 “Looking inside the entanglement 'tube' using molecular dynamics simulations.”

A. Roy, A. Morozov, W. van Saarloos, and R.G. Larson, Phys. Rev. Letter 97:234501, 2006 "Mechanism of polymer drag reduction using a low-dimensional model."

Q. Zhou and R.G. Larson, Macromolecules 39:6737-6743, 2006 "Direct calculation of the tube potential confining entangled polymers."

B.A. Schiamberg, L.T. Shereda, H. Hu, and R.G. Larson, J. Fluid Mech. 554:191-216, 2006 "Transitional pathway to elastic turbulence in torsional, parallel-plate flow of a polymer solution."

C.C. Hsieh, S. Jain, and R.G. Larson, J. Chem. Phys. 124:044911, 2006 (Erratum: 124:179901, 2006) "Brownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models."

S. Shanbhag and R.G. Larson, Macromolecules 39:2413-2417, 2006 "Identification of topological constraints in entangled polymer melts using the bond-fluctuation model."

S.J. Park and R.G. Larson, J. Rheol. 50:21-39, 2006 "Long-chain dynamics in binary blends of monodisperse linear polymers."

A. Roy and R.G. Larson, Appl. Rheol. 15:370-389 2005 "A mean flow model for polymer and fiber turbulent drag reduction."

C.C. Hsieh and R.G. Larson, J. Rheol. 49:1081-1089, 2005 "Prediction of coil-stretch hysteresis for dilute polystyrene molecules in extensional flow."

Y. Heo and R.G. Larson, J. Rheol. 49:1117-1128, 2005 "The scaling of zero-shear viscosities of semidilute polymer solutions with concentration."

Q. Zhou and R.G. Larson. Macromolecules 38:5761-5765, 2005 "Primitive path identification and statistics in molecular dynamics simulations of entangled polymer melts."

S.J. Park and R.G. Larson, J. Rheol. 49:523-536, 2005 "Modeling the linear viscoelastic properties of metallocene-catalyzed high density polyethylenes with long-chain branching."

S. Shanbhag and R.G. Larson, Phys. Rev. Lett. 94:076001, 2005 "Chain retraction potential in a fixed entanglement network."

C.C. Hsieh, S.J. Park, and R.G. Larson, Macromolecules 38:1456-1468, 2005 "Brownian dynamics modeling of flow-induced birefringence and chain scission in dilute polymer solutions in a planar cross-slot flow."

R.G. Larson, J. Rheol. 49:1-70, 2005 "The rheology of dilute solutions of flexible polymers: Progress and problems."

L. Fang, H. Hu, and R.G. Larson, J. Rheol. 49:127-138, 2005 "DNA configurations and concentration in shearing flow near a glass surface in a microchannel."

S.J. Park, S. Shanbhag, and R.G. Larson, Rheol. Acta 44:319-330, 2005 "A hierarchical algorithm for predicting the linear viscoelastic properties of polymer melts with long-chain branching."

L. Li, H. Hu, and R.G. Larson, Rheol. Acta 44:38-46, 2004 "DNA molecular configurations in flows near adsorbing and nonadsorbing surfaces."

P.A. Stone, A. Roy, and R.G. Larson, Phys. Fluids 16:4761-4761, 2004 (Publishers note: 16:3470, 2004) "Polymer drag reduction in exact coherent structures of plane shear flow."

H. Hu and R.G. Larson, JACS, 126:13894-13895, 2004 "One-step preparation of highly monodisperse micron-size particles in organic solvents."

S. Shanbhag and R.G. Larson, Macromolecules 37:8160-8166, 2004 "A slip-link model of branch-point motion in entangled polymers."

C.C. Hsieh and R.G. Larson, J. Rheol. 48:995-1021, 2004 "Modeling hydrodynamic interaction in Brownian dynamics: Simulations of extensional and shear flows of dilute solutions of high molecular weight polystyrene."

H. Hu and R.G. Larson, Langmuir 20:7436-7443, 2004 "Preparation of fluorescent particles with long excitation and emission wavelengths dispersible in organic solvents."

P.A. Stone, A. Roy, R.G. Larson, F. Waleffe, and M.D. Graham, Phys. Fluids 16:3470-3482, 2004 "Polymer drag reduction in exact coherent structures of plane shear flow."

W. Lerdwijitjarud, A. Sirivat, and R.G. Larson, J. Rheol. 48:843-862, 2004 "Influence of dispersed-phase elasticity on steady-state deformation and breakup of droplets in simple shearing flow of immiscible polymer blends."

R.G. Larson, Macromolecules 37:5110-5114, 2004 "An explanation for the high-frequency elastic response of dilute polymer solutions."

T. Cherdhirankorn, W. Lerdwijitjarud, A. Sirivat, and R.G. Larson, Rheol. Acta 43:246-256, 2004 "Dynamics of vorticity stretching and breakup of isolated viscoelastic droplets in an immiscible viscoelastic matrix."

Y. Yamaguchi, T.I. Todorov, M.D. Morris, and R.G. Larson, Electrophoresis 25:999-1006, 2004 "Distribution of single DNA molecule electrophoretic mobilities in semidilute dilute hydroxyethylcellulose solutions."

A.S. Almusallam, R.G. Larson, and M.J. Solomon, J. Rheol. 48:319-348, 2004 "Comprehensive constitutive model for immiscible blends of Newtonian polymers."

S.J. Park, and R.G. Larson, Macromolecules 37:597-604, 2004 "Tube dilation and reptation in binary blends of monodisperse linear polymers."

M. Zaldivar, and R.G. Larson, Langmuir 19:10434-10442, 2003 "Lattice Monte Carlo simulations of dilute mixed micelles."

M. Chopra, L. Li, H. Hu, M.A. Burns, and R.G. Larson, J. Rheol. 47:1111-1132, 2003 "DNA molecular configurations in an evaporating droplet near a glass surface."

C.C. Hsieh, L. Li, and R.G. Larson, J Non-Newton Fluid 113:147-191, 2003 "Modeling hydrodynamic interaction in Brownian dynamics: Simulations of extensional flows of dilute solutions of DNA and polystyrene."

A.S. Almusallam, R.G. Larson, and M.J. Solomon, J Non-Newton Fluid, 113:29-48, 2003 "Anisotropy and breakup of extended droplets in immiscible blends."

R.G. Larson, J Non-Newton Fluid 111:229-250, 2003 "Analysis of polymer turbulent drag reduction in flow past a flat plate."

R.G. Larson, T. Sridhar, L.G. Leal, G.H. McKinley, A.E. Likhtman and T.C.B. McLeish, J. Rheol. 47:809-818, 2003 "Definitions of entanglement spacing and time constants in the tube model."

X. Ye, R.G. Larson, C. Pattamaprom, and T. Sridhar, J. Rheol. 47:443-468, 2003 "Extensional properties of monodisperse and bidisperse polystyrene solutions."

W. Lerdwijitjarud, R.G. Larson, A. Sirivat, and M.J. Solomon, J. Rheol. 47:37-58, 2003 "Influence of weak elasticity of dispersed phase on droplet behavior in sheared polybutadiene/poly(dimethyl siloxane) blends."

S.J. Park and R.G Larson, J. Rheol. 47:199-211, 2003 "Dilution exponent in the dynamic dilution theory for polymer melts."

M. Chopra and R.G. Larson, J. Rheol. 46:831-862, 2002 "Brownian dynamics simulations of isolated polymer molecules in shear flow near adsorbing and nonadsorbing surfaces."

H. Hu, R.G. Larson, and J.J Magda, J. Rheol. 46:1001-1021, 2002 "Measurement of wall-slip-layer rheology in shear-thickening wormy micelle solutions."

W. Lerdwijitjarud, A. Sirivat, and R.G. Larson, Polym. Eng. Sci. 42:798-809, 2002 "Influence of elasticity on dispersed-phase droplet size in immiscible polymer blends in simple shearing flow."

J.Y. Lee, J.J. Magda, H. Hu, and R.G. Larson, J. Rheol. 46:195-208, 2002 "Cone angle effects, radial pressure profile, and second normal stress difference for shear-thickening wormlike micelles."

H. Hu, and R.G. Larson, J. Phys. Chem. B 106:1334-1344, 2002 "Evaporation of a sessile droplet on a substrate."

C. Pattamaprom, and R.G. Larson, Rheol. Acta 40:516-532, 2001 "Predicting the linear viscoelastic properties of monodisperse and polydisperse polystyrenes and polyethylenes."

S. Shanbhag, R.G. Larson, J. Takimoto, and M. Doi, Phys. Rev. Lett. 87:195502, 2001 "Deviations from dynamic dilution in the terminal relaxation of star polymers."

D.J. Ternet, R.G. Larson, and L.G. Leal, Rheol. Acta 40:307-316, 2001 "Transient director patterns upon flow start-up of nematic liquid crystals (an explanation for stress oscillation damping)."

C. Pattamaprom and R.G. Larson, Macromolecules 34:5229-5237, 2001 "Constraint release effects in monodisperse and bidisperse polystyrenes in fast transient shearing flows."

R.G. Larson, Macromolecules 34:4556-4571, 2001 "Combinatorial rheology of branched polymer melts."

S. Kumar and R.G. Larson, J. Chem. Phys. 114:6937-6941, 2001 "Brownian dynamics simulations of flexible polymers with spring-spring repulsions."

S. Kumar and R.G. Larson, J. Non-Newtonian Fluid 95:295-314, 2000 "Shear banding and secondary flow in viscoelastic fluids between a cone and plate."

C. Pattamaprom, R.G. Larson, and T.J. Van Dyke, Rheol. Acta 39:517-531, 2000 "Quantitative predictions of linear viscoelastic rheological properties of entangled polymers."

C. Pattamaprom, J.J. Driscroll, and R.G. Larson, Macromol. Symp. 158:1-13, 2000 "Nonlinear viscoelastic predictions of uniaxial-extensional viscosities of entangled polymers."

A.S. Almusallam, R.G. Larson, and M.J. Solomon, J. Rheol. 44:1055-1083, 2000 "A constitutive model for the prediction of ellipsoidal droplet shapes and stresses in immiscible blends."

R.G. Larson, J. Non-Newtonian Fluid 94:37-45, 2000 "The role of molecular folds and 'pre-conditioning' in the unraveling of polymer molecules during extensional flow."

J.S. Hur, E.S.G. Shaqfeh, and R.G. Larson, J. Rheol. 44:713-742, 2000 "Brownian dynamics simulations of single DNA molecules in shear flow."

R.G. Larson, Nature 405:27-28, 2000 "Fluid dynamics - Turbulence without inertia."

L. Li, R.G. Larson, and T. Sridhar. J. Rheol. 44:291-322, 2000 "Brownian dynamics simulations of dilute polystyrene solutions."

L. Li and R.G. Larson. Macromolecules 33:1411-1415, 2000 "Comparison of Brownian dynamics simulations with microscopic and light-scattering measurements of polymer deformation under flow."

D.J. Ternet, R.G. Larson, and L.G. Leal. Rheol. Acta 38:183-197, 1999 "Flow-aligning and tumbling in small-molecule liquid crystals: pure components and mixtures."

S. Goyal, R.G. Larson, and C.J. Aloisio, J Eng. Mater-T ASME 121:294-304, 1999 "Quantitative prediction of impact forces in elastomers."

R.O. Bude, R.G. Larson, W.W. Nichols, and J.M. Rubin, Radiology 212:79-87, 1999 "Stenosis of the main artery supplying an organ: Effect of end-organ vascular resistance on the poststenotic peak systolic velocity in an in vitro hydraulic model at Doppler US."

R.G. Larson, H. Hu, D.E. Smith, and S. Chu. J. Rheol. 43:267-304, 1999 "Brownian dynamics simulations of a DNA molecule in an extensional flow field."

C.M. Huang, J.J. Magda, and R.G. Larson, J. Rheol. 43:31-50, 1999 "The effect of temperature and concentration on N-1 and tumbling in a liquid crystal polymer."

D.W. Mead, R.G. Larson, and M. Doi, Macromolecules 31:7895-7914, 1998 "A molecular theory for fast flows of entangled polymers."

T.C.B. McLeish, and R.G. Larson, J. Rheol. 42:81-110, 1998 "Molecular constitutive equations for a class of branched polymers: The pom-pom polymer."

P.T. Mather, D.S. Pearson, R.G. Larson, D.F. Gu, and A.M. Jamieson, Rheol. Acta 36:485-497, 1997 "The origin of stress-oscillation damping during start-up and reversal of torsional shearing of nematics."

L.A. Archer, D. Ternet, and R.G. Larson, Rheol. Acta 36:579-584, 1997 "'Fracture' phenomena in shearing flow of viscous liquids."

G. Bishko, T.C.B. McLeish, O.G. Harlen, and R.G. Larson, Phys. Rev. Lett. 79:2352-2355, 1997 "Theoretical molecular rheology of branched polymers in simple and complex flows: The pom-pom model."

R.G. Larson, Curr. Opin. Colloid In. 2:361-364, 1997 "Simulations of self-assembly."

R.G. Larson, J. Rheol. 41:365-372, 1997 "The elastic stress in 'film fluids'.''

DNA

Go to: Polymers / DNA / Lipids, Peptides & Surfactants / Microfluidics and Devices / Books and Book Chapters / Top of page

R.S. Graham and R.G. Larson, Chemical Communications,  47:337-339 2011; “Coarse-Grained Simulations of Stretching Entangled DNA Using Oscillating Electric Fields.”

J.H. Kim and R.G. Larson, Nucleic Acids Res. 35:3848-3858, 2007 “Single-molecule analysis of 1D diffusion and transcription elongation of T7 RNA polymerase along individual stretched DNA molecules.”

W.X. Shi and R.G. Larson, Biochem. Bioph. Res. Co. 357:755-760, 2007 “RecA-ssDNA filaments supercoil in the presence of single-stranded DNA-binding protein.”

J.H. Kim, V.R. Dukkipati, S.W. Pang, and R.G. Larson, Nanoscale Res. Lett. 2:185-201, 2007 “Stretching and immobilization of DNA for studies of protein-DNA interactions at the single-molecule level.”

J.H. Kim, W.X. Shi, and R.G. Larson, Langmuir 23:755-764, 2007 "Methods of stretching DNA molecules using flow fields."

V.R. Dukkipati, J.H. Kim, S.W. Pang, and R.G. Larson, Nano Lett. 6:2499-2504, 2006 "Protein-assisted stretching and immobilization of DNA molecules in a microchannel."

W.X. Shi and R.G. Larson, Nano Lett. 5:2476-2481, 2005 "Atomic force microscopic study of aggregation of RecA-DNA nucleoprotein filaments into left-handed supercoiled bundles."

V. Namasivayam, R.G. Larson, D.T. Burke, and M.A. Burns, Anal. Chem. 75:4188-4194, 2003 "Light-induced molecular cutting: localized reaction on a single DNA molecule."

Lipids, Peptides, & Surfactants

Go to: Polymers / DNA / Lipids, Peptides & Surfactants / Microfluidics and Devices / Books and Book Chapters / Top of page

H. Lee and R.G. Larson, Biomacromolecules 17:1757-1765 2016 “Adsorption of Plasma Proteins onto PEGylated Lipid Bilayers: The Effect of PET Size and Grafting Density.”

T. Mandal, R. Marson, and R.G. Larson, Soft Matter 12:8246-8255 2016 “Coarse-grained modeling of crystal growth and polymorphism of a model pharmaceutical molecule.”

A. Ramazani, T. Mandal, and R.G. Larson, Langmuir 32:13084-13094 2016 “Modeling the Hydrophobicity of Nanoparticles and Their Interaction with Lipids and Proteins.”

W. Zou, X. Tang, M. Weaver, P. Koenig, and R.G. Larson, Journal of Rheology 59:903-934 2015 “Determination of characteristic lengths and times for wormlike micelle solutions from rheology using a mesoscopic simulation method.”

F. Yuan and R.G. Larson, Journal of Physical Chemistry B. 119: 12540-12551 2015 “Multiscale Molecular Dynamics Simulations of Model Hydrophobically Modified Ethylene Oxide Urethane Micelles.”

F. Yuan, S. Wang and R.G. Larson, Langmuir 31:1336-1343 2015 “Potentials of mean force and escape times of surfactants from micelles and hydrophobic surfaces using molecular dynamics simulations.”

K.J. Huston and R.G. Larson, Langmuir 31:7503-7511 2015 “Reversible and Irreversible Adsorption Engergetics of Poly(ethylene glycol) and Sorbitan Poly(ethoxylate) at a Water/Alkane Interface.”

S. Wang and R.G. Larson, Soft Matter 9:480-486 2013 “Coarse-Grained Molecular Dynamics Simulation of Tethered Lipid Assemblies.”

R.G. Larson, J. Rheol. 56:1363-1374 2012 “The Lengths of Thread-Like Micelles Inferred from Rheology.”

H. Lee, H. Ryoung, and R.G. Larson, Macromolecules 45:7304-7313 2012 “Effects of the Size, Shape and Structural Transition of Thermosensitive Polypeptides on the Stability of Bilayers and Liposomes.”

H. Lee, C.J. Sig, and R.G. Larson, Macromolecules 44:8681-8686 2011 “Molecular Dynamics Studies of the Size and Internal Structure of the PAMAM Dendrimer Grafted with Arginine and Histidine.”

S.L. Duncan, I.S. Dalal, and R.G. Larson Biochim. Biophys. Acta – Biomembranes 1808:2450-2465 2011, “Molecular Dynamics Simulation of Phase Transitions in Model Lung Surfactant Monolayers.”

H. Lee and R.G. Larson, Macromolecules 44:2291-2298 2011, “Effects of PEGylation on the Size and Internal Structure of Dendrimers: Self-Penetration of Long PEG Chains into the Dendrimer Core.”

H. Lee and R.G. Larson, J. Phys. Chem. C 115:5316-5322 2011, “Membrane Pore Formation Induced by Acetylated and Polyethylene Glycol-Conjugated Polyamidoamine Dendrimers.”

S.L. Duncan and R.G. Larson Biochim. Biophys. Acta – Biomembranes 1798:1632-1650 2010, “Folding of Lipid Monolayers Containing Lung Surfactant Proteins SP-B1-25 and SP-C Studied Via Coarse-Grained Molecular Dynamics Simulations.

Z.W. Wang, and R.G. Larson, J Phys. Chem. B 113:13697-13710 2009 “Molecular Dynamis Simulations of Threadlike Cetyltrimethylammonium Chloride Micelles: Effects of Sodium Chloride and Sodium Salicylate Salts.” 

B. Shang, Z. Wang, and R.G. Larson, J. Phys. Chem., 113:15170-15180, 2009 “The Effect of Head Group Size, Charge, and Solvent Structure on Polymer-Micelle Interactions, Studied by Molecular Dynamics Simulations.”

H. Lee and R.G. Larson, Molecules 14:423-38, 2009 "Multiscale modeling of dendrimers and their interactions with bilayers and polyelectrolytes."

B. Shang, Z. Wang, and R.G. Larson, J. Phys. Chem. 112:2888-2900, 2008 “Molecular dynamics simulation of interactions between a sodium dodecyl sulfate micelle and a poly(ethylene oxide) polymer."

S.K. Kandasamy, D.K. Lee, R.P. Nanga, J. Xu, J.S. Santos, R.G. Larson, and A. Ramamoorthy. Biochim Biophys Acta. 2008 (available online ahead of print) "Solid-state NMR and molecular dynamics simulations reveal the oligomeric ion-channels of TM2-GABA(A) stabilized by intermolecular hydrogen bonding."

H. Lee and R.G. Larson, J. Phys. Chem. B 112:12279-12285, 2008, “Lipid bilayer curvature and pore formation induced by charged linear polymers and dendrimers: The effect of molecular shape.”

S.L. Duncan and R.G. Larson, Biophys. J. 94:2965-2986, 2008 “Comparing experimental and simulated pressure-area isotherms for DPPC.”

L. Monticelli, S.K. Kandasamy, X. Periole, R.G. Larson, D.P. Tieleman, and S.J. Marrink, J. Chem. Theory Comput. 4:819-834, 2008 “The MARTINI coarse-grained force field: Extension to proteins.”

H. Lee and R.G. Larson, J. Phys. Chem. B 112:7778-7784, 2008 “Coarse-grained molecular dynamics studies of the concentration and size dependence of fifth- and seventh-generation PAMAM dendrimers on pore formation in a DMPC bilayer.”

A. Ramamoorthy, S.K. Kandasamy, D.K. Lee, S. Kidambi, and R.G. Larson, Biochemistry, 46:965-975, 2007 “Structure, topology and tilt of cell-signaling peptides containing nuclear localization sequences in membrane bilayers determined by solid-state NMR and molecular dynamics simulation studies.”

S.K. Kandasamy and R.G. Larson, Mol. Simulat., 33:799-807, 2007 “Binding modes of protegrin-1, a beta-strand antimicrobial peptide, in lipid bilayers.”

S.K. Kandasamy, and R.G. Larson, Biophys. J., Suppl. S. 644A-644A, 2007 “A systematic investigation of hydrophobic mismatch using molecular dynamics simulations.”

S.K. Kandasamy and R.G. Larson, Biochim. Biophys. Acta, Biomembr. 1758:1274-1284, 2006 "Effect of salt on theinteractions of antimicrobial peptides with zwitterionic lipid bilayers."

H. Lee and R.G. Larson, J. Phys. Chem. B 110:18204-18211, 2006 "Molecular dynamics simulations of PAMAM dendrimer-induced pore formation in DPPC bilayers with a coarse-grained model."

S.K. Kandasamy and R.G. Larson, J. Chem. Phys. 125:074901, 2006 "Cation and anion transport through hydrophilic pores in lipid bilayers."

J.A. Sayer, E.A. Otto, J.F. O'Toole, et al., Nat. Genet. 38:674-681, 2006 "The centrosomal protein nephrocystin-6 is mutated in Joubert syndrome and activates transcription factor ATF4."

H. Lee , J.R. Baker, and R.G. Larson, J. Phys. Chem. B 110:4014-4019, 2006 "Molecular dynamics studies of the size, shape, and internal structure of 0% and 90% acetylated fifth-generation polyamidoamine dendrimers in water and methanol."

S.K. Kandasamy and R.G. Larson, Biophys. J. 90:2326-2343, 2006 "Molecular dynamics simulations of model trans-membrane peptides in lipid bilayers: A systematic investigation of hydrophobic mismatch."

H. Lee, S.K. Kandasamy, and R.G. Larson, Biophys. J. 89:3807-3821, 2005 "Molecular dynamics simulations of the anchoring and tilting of the lung-surfactant peptide SP-B1-25 in palmitic acid monolayers."

S.K. Kandasamy and R.G. Larson, Biophys. J. 88:1577-1592, 2005 "Molecular dynamics study of the lung surfactant peptide SP-B1-25 with DPPC monolayers: Insights into interactions and peptide position and orientation."

S.K. Kandasamy and R.G. Larson, Chem Phys. Lipids 132:113-132, 2004 "Binding and insertion of alpha-helical anti-microbial peptides in POPC bilayers studied by molecular dynamics simulations."

R.G. Larson, Chem. Biol. 10:1005-1006, 2003 "Molecular engineering of peptides."

K.Y. Lee, H.J. Kong, R.G. Larson, and D.J. Mooney, Adv. Mater. 15:1828-1832, 2003 "Hydrogel formation via cell crosslinking."

Y.N. Kaznessis, S. Kim, R.G. Larson, J. Mol. Biol. 322:569-582, 2002 "Specific mode of interaction between components of model pulmonary surfactants using computer simulations."

Y.N. Kaznessis, S.T. Kim, and R.G. Larson, Biophys. J. 82:1731-1742, 2002 "Simulations of zwitterionic and anionic phospholipid monolayers."

Y.N. Kaznessis, S. Kim, and R.G. Larson, Biophys. J. 78:1955Pos Part 2, 2000 "Molecular dynamics simulations of a DPPC/DPPG monolayer."

Microfluidics and Devices

Go to: Polymers / DNA / Lipids, Peptides & Surfactants / Microfluidics and Devices / Books and Book Chapters / Top of page

J. Liu, R.G. Larson, J. Chem. Phys. 138: 174904, 2013 "Brownian dynamics method for simulation of binding kinetics of patterned colloidal spheres with hydrodynamic interactions"

R.G. Larson Ang. Chemie, 51:2546-2548 2012 “Re-shaping the Coffee Ring.”

R.G. Larson, M.A. Lopez, D.W. Lim, and J. Lahann, MRS Proceedings, 2010, 1273:1273-MM03-01; “Complex Protein Patterns in Drying Droplets.”

N. Watari and R.G. Larson, Biophys. J., 98:12-17 2010, “The hydrodynamics of a run-and-tumble bacterium propelled by polymorphic helical flagella.”

L.T. Shereda, R.G. Larson, and M.J. Solomon, Phys. Rev. Lett. 2010 105:228302; “Boundary-Driven Crystallization in Simple Shear Flow.”

L.T. Shereda, R.G. Larson, and M.J. Solomon, Korea-Australia Rheology J. 2010 22:309-316; “Shear Banding in Crystallizing Colloidal Suspensions.”

N. Watari and R.G. Larson, Phys. Rev. Lett. 102:246001 2009; “Shear-Induced Chiral Migration of Particles with Anisotropic Rigidity.”

Z.C. Long, A.M. Shetty, M.J. Solomon, and R.G. Larson, Lab on a Chip, 2009, 9:1567-1575; “Fundamentals of Magnet-Actuated Droplet Manipulation on an Open Hydrophobic Surface.”

T. Poeckh, S. Lopez, A.O. Fuller, M.J. Solomon, and R.G. Larson, Anal. Biochem. 373:253-262, 2008 “Adsorption and elution characteristics of nucleic acids on silica surfaces and their use in designing a miniaturized purification unit.”

L.T. Shereda, R.G. Larson, and M.J. Solomon, Phys. Rev. Lett. 101:038301, 2008 “Local Stress Control of Spatiotemporal Ordering of Colloidal Crystals in Complex Flows.”

N. Watari, M. Makino, N. Kikuchi, R.G. Larson, and M. Doi, J. Chem. Phys. 126:094902, 2007 "Simulation of DNA motion in microchannel with hydrodynamic interaction using stochastic rotation dynamics method."

J.H. Kim, W.X. Shi, and R.G. Larson, Langmuir 23:755-764, 2007 “Methods of stretching DNA molecules using flow fields.”

H. Hu and R.G. Larson, J. Phys. Chem. B 110:7090-7094, 2006 "Marangoni effect reverses coffee-ring depositions."

R. Pal, M. Yang, R. Lin, et al. Lab on a Chip 5:1024-1032, 2005 "An integrated microfluidic device for influenza and other genetic analyses."

H. Hu and R.G. Larson, Langmuir 21:3963-3971, 2005 "Analysis of the microfluid flow in an evaporating sessile droplet."

H. Hu and R.G. Larson, Langmuir 21:3972-3980, 2005 "Analysis of the effects of Marangoni stresses on the microflow in an evaporating sessile droplet."

V. Namasivayam, R.G. Larson, D.T. Burke, and M.A. Burns, J. Micromech. Microeng. 13:261-271, 2003 "Transpiration-based micropump for delivering continuous ultra-low flow rates."

V. Namasivayam, R.G. Larson, D.T. Burke, and M.A. Burns, Anal. Chem. 74:3378-3385, 2002 "Electrostretching DNA molecules using polymer-enhanced media within microfabricated devices."

R.G. Larson "Simulations of Self-Assembly." Curr. Opinion in Coll. Interf. Sci., 2:361 1997