2014 Publications

Cameron Abrams

Abrams, C.F.; Bussi, G. Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration. Entropy 2014, 16, 163-199.

Baker, M.K.; Abrams, C.F. Dynamics of Lipids, Cholesterol, and Transmembrane α-Helices from Microsecond Molecular Dynamics Simulations. J. Phys. Chem. B 2014 118, 13590-13600.

Baker, M. K.; Gangupomu, V. K.; Abrams, C. F. Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations. Biochim. Biophys. Acta, Biomembr. 2014, 1838 (5), 1396-1405.

Bucci, A.; Abrams, C.F. Oxygen pathways and allostery in monomeric sarcosine oxidase via single-sweep free-energy reconstruction. J. Chem. Theory Comput. 2014, 10, 2668-2676.

Emileh, A.; Duffy, C.; Holmes, A.; Rosemary Bastian A.; Aneja, R.; Tuzer, F.; Rajagopal, S.; Li, H.; Abrams, C.F.; Chaiken, I. Covalent conjugation of a peptide triazole to HIV-1 gp120 enables intramolecular binding site occupancy. Biochemistry 2014, 53, 3402-3414.

Jang, C.; Sharifi, M.; Palmese, G.R.; Abrams, C.F. Crosslink Network Rearrangement via Reactive Encapsulation of Solvent in Epoxy Curing: A Combined Molecular Simulation and Experimental Study. Polymer 2014, 55, 3859-3868.

Sharifi, M; Jang, C.; Abrams, C.F.; Palmese, G.R. Toughened epoxy polymers via rearrangement of network topology. J. Mater. Chem. A. 2014, 2, 16071-16082.

Jason Baxter

Baxter, J.B.; Richter, C.; Schmuttenmaer C.A.; Ultrafast carrier dynamics in nanostructures for solar fuels. Annual Review of Physical Chemistry 2014, 65, 423-447.

Guglietta, G.W.; Choudhury, K.R.; Caspar, J.V.; Baxter, J.B. Employing time -resolved terahertz spectroscopy to analyze carrier dynamics in Cu2ZnSn(S,Se)4 absorber layers. Applied Physics Letters 2014, 104, 253901.

Majidi, H.; Edley, M. E.; Spangler, L. C.; Baxter, J.B. Tailoring Absorber Thickness and the Absorber-Scaffold Interface in CdSe-Coated ZnO Nanowire Extremely Thin Absorber Solar Cells. Electrochim. Acta 2014, 145, 291-299.

Opasanont, B.; Kuba, A.G.; Louderback, E.G.; Choudhury, K.R.; Baxter, J.B. Relating Deposition Conditions to Zn(S,O,OH) Thin Film Properties for Photovoltaic Buffer Layers Using a Continuous Flow Microreactor. Chem. Mater. 2014, 26(23), 6674-6683.

Smolin, S.Y.; Scafetta, M.D.; Guglietta, G.W.; Baxter, J.B.; May, S.J. Ultrafast transient reflectance of epitaxial semiconducting perovskite thin films. Applied Physics Letters 2014, 105, 022103.

Yun, H.J.; Paik, T.; Edley, M.E.; Baxter, J.B.; Murray, C.B. Enhanced Charge Transfer Kinetics of CdSe Quantum Dot-Sensitized Solar Cell by Inorganic Ligand Exchange Treatments. ACS Appl. Mater. Interfaces 2014, 6 (5), 3721-3728.

Richard Cairncross

Ahmad, I.; Hsuan, Y.G.; Li, C.Y.; Cairncross, R.A. Reaction Model Describing Antioxidant Depletion in Polyethylene-Clay Nanocomposites Under Thermal Aging. Polym. Degrad. Stab. 2014, 110, 318-335.

Dever, D. O.; Cairncross, R. A.; Elabd, Y A. Nanofiber Cathode Catalyst Layer Model for a Proton Exchange Membrane Fuel Cell. J. Fuel Cell Sci. Technol. 2014, 11(4), 041007.

Nily Dan

Dan, N.; Danino, D. Structure and kinetics of lipid-nucleic acid complexes. Adv. Colloid Interface Sci. 2014, 205, 230-239.

Dan, N. Nanostructured Lipid Carriers: Effect of Solid Phase Fraction and Distribution on the Release of Encapsulated Materials. Langmuir 2014, 30(46), 13809-13814.

Yossef Elabd

Choi, U.H.; Ye, Y.S.; de la Cruz, D.S.; Liu, W.J.; Winey, K.I.; Elabd, Y.A.; Runt, J.; Colby, R.H. Dielectric and Viscoelastic Responses of Imidazolium-Based Ionomers with Different Counterions and Side Chain Lengths. Macromolecules 2014, 47 (2), 777-790.

Liu, Y.; Kim, E.; Lee, M.E.; Zhang, B.; Elabd, Y.A.; Wang, Q.; White, I.M.; Bentley, W.E.; Payne, G.F. Enzymatic Writing to Soft Films: Potential to Filter, Store, and Analyze Biologically Relevant Chemical Information. Adv. Funct. Mater. 2014, 24 (4), 480-491.

Richey, F.W.; Tran, C.; Kalra, V.; Elabd, Y.A. Ionic Liquid Dynamics in Nanoporous Carbon Nanofibers in Supercapacitors Measured with in operando Infrared Spectroelectrochemistry. J. Phys. Chem. C 2014, 118, 21846.

Aaron Fafarman

Fafarman, A.T.; Hong, H.; Oh, S.J.; Caglayan, H.; Ye, X.; Diroll, B.T.; Engheta, N.; Murray, C.B.; Kagan, C.R. Air-Stable, Nanostructured Electronic and Plasmonic Materials from Solution-Processable, Silver Nanocrystal Building Blocks. ACS Nano 2014, DOI: 10.1021/nn406461p.

Turk, M. E.; Choi, J.-H.; Oh, S. J.; Fafarman, A. T.; Diroll, B. T.; Murray, C. B.; Kagan, C. R.; Kikkawa, J. M. Gate-Induced Carrier Delocalization in Quantum Dot Field Effect Transistors. Nano Lett. 2014, 14 (10), 5948–5952, DOI: 10.1021/nl5029655.

Vibha Kalra

Dillard, C.; Singhal, R.; Kalra, V. Hierarchical Self-assembly in Monoaxially Electrospun P3HT/PCBM Nanofibers. Macromol. Mater. Eng. 2014, Accepted for Publication, DOI: 10.1002/mame.201400214.

Hu, A.; Curran, C.; Tran, C.; Kapllani, A.; Kalra, V. Fabrication of Transition Metal Oxide-Carbon Nanofibers with Novel Hierarchical Architectures. J. Nanosci. Nanotechnol. 2014, 14 (7), 5501-5507.

Kapllani, A.; Dillard, C.; Washington, K.E.; Biewer, M. C.; Stefan, M. C.; Kalra, V. Self-Assembly of Poly(3-hexylthiophene)-blockpoly(γ-benzyl-L-glutamate) within Solution-Cast Films and Nanofibers. Macromol. Mater. Eng. 2014, 299(12), 1484-1493.

Mayrhuber, I.; Dennison, C.R.; Kalra, V.; Kumbur, E.C. Laser-Perforated Carbon Paper Electrodes for Improved Mass-Transport in High Power Density Vanadium Redox Flow Batteries. J. Power Sources 2014, Accepted for publication.

Park, J.; Kalra, V.; Joo, Y.L. Controlling the Dispersion and Orientation of Nanorods in Polymer Melt under Shear: Coarse-Grained Molecular Dynamics Simulation Study. J. Chem. Phys. 2014, Accepted for publication.

Park, J.; Yin, J.; Kalra, V.; Joo, Y. Manuscript ID: jp-2013-12145j.R1Role of Nanoparticle Selectivity in the Symmetry Breaking of Cylindrically Confined Block Copolymers. J. Phys. Chem. C 2014, Accepted for publication.

Richey, F.W.; Tran, C.; Kalra, V.; Elabd, Y.A. Ionic Liquid Dynamics in Nanoporous Carbon Nanofibers in Supercapacitors Measured with in operando Infrared Spectroelectrochemistry. J. Phys. Chem. C 2014, 118, 21846.

Tran, C.; Kalra, V. Molecular Dynamics Study on Effect of Elongational Flow on Morphology of Immiscible Mixtures. J. Chem. Phys. 2014, Accepted for publication.

 

Kenneth Lau

Bavarian, M.; Nejati, S.; Lau, K.K.S.; Lee, D.; Soroush, M. Theoretical and Experimental Study of a Dye-Sensitized Solar Cell. Ind. Eng. Chem. Res. 2014, 53 (13), 5234-5247.

Nejati, S.; Minford, T.E.; Smolin, Y.Y.; Lau, K.K.S. Enhanced charge storage of ultrathin polythiophene films within porous nanostructures. ACS Nano 2014, 8, 5413–5422.

Nejati, S.; Patel, A.; Wallowitch, G.R.; Lau, K.K.S. Electrical conductivity and stability of oCVD copolymer thin films of thiophene and pyrrole. Nanosci. Nanotechnol. Lett. 2014 (accepted).

Ölçeroğlu, E.; Hsieh, C.-Y.; Rahman, M.M.; Lau, K.K.S.; McCarthy, M. Full-field dynamic characterization of superhydrophobic condensation on biotemplated nanostructured surfaces. Langmuir 2014, 30, 7556–7566.

Spurgeon, S. R.; Sloppy, J. D.; Kepaptsoglou, D.M.; Maria, D.; et al. Thickness-Dependent Crossover from Charge- to Strain-Mediated Magnetoelectric Coupling in Ferromagnetic/Piezoelectric Oxide Heterostructures. ACS Nano 2014, 8(1), 894-903.

Raj Mutharasan

Johnson, B.; Mutharasan, R. Biosensor-based MicroRNA Detection: Techniques, Design, Performance, and Challenges. Analyst 2014, 139 (7), 1576 - 1588.

Johnson, B.; Mutharasan, R. Reduction of nonspecific protein adsorption on cantilever biosensors caused by transverse resonant mode vibration. Analyst 2014, 139 (5), 1112 - 1120.

Rosario, R.; Mutharasan, R. Nucleic acid electrochemical and electromechanical biosensors: a review of techniques and developments. Rev. Anal. Chem 2014, 33(4), 213-230.

Rosario, R.; Mutharasan, R. Piezoelectric excited millimeter sized cantilever sensors for measuring gas density changes. Sens. Actuators, B 2014, 192, 99-104.

Giuseppe Palmese

Holloway, J. L.; Lowman, A. M.; VanLandingham, M. R.; et al. Interfacial optimization of fiber-reinforced hydrogel composites for soft fibrous tissue applications. Acta Biomater. 2014, 10(8), 3581-3589.

Hu, F.; La Scala, J. J.; Sadler, J. M.; et al. Synthesis and Characterization of Thermosetting Furan-Based Epoxy Systems. Macromolecules 2014, 47(10), 3332-3342. .

Jang, C.; Sharifi, M.; Palmese, G.R.; Abrams, C.F. Crosslink Network Rearrangement via Reactive Encapsulation of Solvent in Epoxy Curing: A Combined Molecular Simulation and Experimental Study. Polymer 2014, 55(16), SI, 3859-3868.

Marella, V. V.; Throckmorton, J. A.; Palmese, G. R. Hydrolytic degradation of highly crosslinked polyaromatic cyanate ester resins. Polym. Degrad. Stab. 2014, 104, 104-111. .

Sadler, J.M.; Toulan, F.R.; Kayea, R.V. III; Palmese, G.R.; La Scala, J.J. Isosorbide as the Structural Component of Bio-based Unsaturated Polyesters for use as Thermosetting Resins. Carbohydrate Polymers 2014, 100(SI), 97-106.

Sharifi, M; Jang, C.; Abrams, C.F.; Palmese, G.R. Toughened epoxy polymers via rearrangement of network topology. J. Mater. Chem. A. 2014, 2, 16071-16082.

Watters, A.L.; Palmese G.R. Ultralow percolation threshold of single walled carbon nanotube-epoxy composites synthesized via an ionic liquid dispersant/initiator. Mater. Res. Express 2014, 1(3).

Masoud Soroush

Bavarian, M.; Nejati, S.; Lee, D.; Lau, K.K.S.; Soroush, M. Theoretical and Experimental Study of a Dye Sensitized Solar Cell. Ind. Eng. Chem. Res. 2014, 53(13), 5234-5247.

Liu, S.; Srinivasan, S.; Grady, M.C.; Soroush, M.; Rappe, A.M. Backbiting and b-Scission Reactions in Free-Radical Polymerization of Methyl Acrylate. Int. J. Quantum Chem. 2014, 114(5), 345-360.

Liu, S.; Srinivasan, S.; Tao, J.; Grady, M.C.; Soroush, M.; Rappe, A.M. Modeling Spin-Forbidden Monomer Self-initiation Reactions in Free-Radical Polymerization of Acrylates and Methacrylates. J. Phys. Chem. A. 2014, 118(40), 9310-9318.

Moghadam, N.; Srinivasan, S.; Grady, M.C.; Rappe, A.M.; Soroush, M. Theoretical Study of Chain Transfer to Solvent Reactions of Alkyl Acrylates. J. Phys. Chem. A. 2014, 118 (29), 5474-5487.

Mohseni Ahooyi, T.; Arbogast, J.E.; Oktem, U.; Seider, W.D.; Soroush, M. Estimation of Complete Discrete Multivariate Probability Distributions with Application to Risk Assessment and Fault Detection. Ind. Eng. Chem. Res. 2014, 53 (18), 7538-7547.

Mohseni Ahooyi, T.; Arbogast, J.E.; Oktem, U.; Seider, W.D.; Soroush, M. Maximum-likelihood Maximum-Entropy Estimation of Multivariate Probability Density Functions. AIChE J 2014, 60(3), 1013-1026.

Steven Wrenn

Nguyen, A. T.; Wrenn, S. P. Acoustically active liposome-nanobubble complexes for enhanced ultrasonic imaging and ultrasound- triggered drug delivery. Wiley Interdiscip. Rev. Nanomed. Nanobiotechnol. 2014, 6 (3), 316-325.

Wallace, N.; Dicker, S.; Lewin, P.; et al. Influence of nesting shell size on brightness longevity and resistance to ultrasound-induced dissolution during enhanced B-mode contrast imaging. Ultrasonics 2014, 54(8), 2099-2108. .