2016 Publications | Drexel Engineering

Cameron Abrams

Bucci, A.; Yu, T.; Vanden-Eijnden,E.; Abrams, C.F. Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics. J. Chem. Theory Comput. 2016, 12:2964-2972 (10.1021/acs.jctc.6b00071).

Gardner, J.; Deserno, M.; Abrams, C.F. Effect of Intrinsic Curvature and Edge Tension on the Stability of Binary Mixed-Membrane Three-Junctions. J. Chem. Phys. 2016, 145:074901 (Featured Article) (10.1063/1.4960433).

Gordon, R.; Stober, S.S.; Abrams, C.F. Aggregation of 12-Hydroxystearic Acid and Its Lithium Salt in Hexane: Molecular Dynamics Simulations. J. Phys. Chem. B. 2016, 120:7164-7173 (10.1021/acs.jpcb.6b04193).

Jang, C.; Abrams, C.F. Thermal and Mechanical Properties of Thermosetting Polymers using Coarse-grained Simulation. Eur. Phys. J. Spec. Top. 2016, 225:1775 (10.1140/epjst/e2016-60143-0).

Jang, C.; Sharifi, M.; Palmese,G.R. Abrams, C.F. Toughness enhancement of thermosetting polymers using a novel partially reacted substructure curing protocol: A combined molecular simulation and experimental study. Polymer 2016, 90:249-255 (10.1016/j.polymer.2016.03.023).

Moraca, F.; Acharya, K.; Melillo, B.; Smith, III, A.B.; Chaiken, I.M.; Abrams, C.F. Computational Evaluation of HIV-1 gp120 Conformations of Soluble Trimeric gp140 Structures as Targets for de novo Docking of First- and Second-Generation Small-Molecule CD4 Mimetics. J. Chem. Info. Model. 2016, 56:2069-2079 (10.1021/acs.jcim.6b00393).

Parajuli, B.; Acharya, K.; Yu, R.; Rashad, A.A.; Abrams, C.F.; Chaiken, I.M. Lytic Inactivation of HIV-1 by Dual Engagement of gp120 and gp41 Domains in the Virus Env Trimer. Biochemistry 2016, 55:6100-6114.

Paz, S.; Vanden-Eijnden,E.; Abrams, C.F. Polymorphism at 129 Dictates Metastable Conformations of the Human Prion Protein N-terminal b-sheet. Chem. Sci. 2016 (accepted) (10.1039/C6SC03275C).

Sundaram, R.V.K.; Li, H.; Bailey, L.; Rashad, B.B.; Aneja, R.; Weiss, K.; Huynh, J.; Bastian, A.R.; Papazoglou, E.; Abrams, C.F.; Wrenn, S.; Chaiken, I. Impact of HIV-1 Membrane Cholesterol on Cell-Independent Lytic Inactivation and Cellular Infectivity. Biochemistry 2016, 55:447-458 (10.1021/acs.biochem.5b00936).

Tang-Qing Yu, Jianfeng Lu, Cameron F. Abrams, and Eric Vanden-Eijnden, "A Multiscale Implementation of Infinite-Swap Replica Exchange Molecular Dynamics," Proc. Natl. Acad. Sci. USA 113:11744-11749 (2016) (10.1073/pnas.1605089113).

Yang, J.; Srikant, A.; Jang,C.; Abrams, C.F. Relationships Between Molecular Structure and Thermomechanical Properties of Bio-Based Thermosetting Polymers. J. Polym. Sci. B Pol. Phys. 2016, (accepted).

Jason Baxter

Abel, A. J.; Patel, A. M.; Smolin, S. Y.; Opasanont, B.; Baxter, J. B. Enhanced Photoelectrical Water Splitting via SILAR-Deposited Ti-Doped Hematite Thin Films with an FeOOH Overlayer. J. Mater. Chem. A 2016, 4, 6495.

Cargnello, M.; Montini, T.; Smolin, S. Y.; Priebe, J.; Jaen, J. J. D.; Doan-Nguyen, V. V. T.; McKay, I. S.; Schwalbe, J. A.; Pohl, M.; Gordon. T.; Lu, Y.; Baxter, J. B.; Bruckner, A.; Fornasiero, P.; Murray, C. Engineering Titania Nanostructure to Tune and Improve its Photocatalytic Activity. Proc. Natl. Acad. Sci. U.S.A. 2016, 113(15), 3966.

Edley, M. E.; Jones, T. Z.; Baxter, J. B. Influence of Depletion Width on Charge Transport and Interfacial Recombination in Extremely Thin Absorber Solar Cells. J. Electrochem. Soc. 2016, 163(2), H133-H138.

Smolin, S.Y.; Scafetta, M.D.; Choquette, A.K.; et al. Static and Dynamic Optical Properties of La1-xSrxFeO3-delta: The Effects of A-Site and Oxygen Stoichiometry. Chem. Mater. 2016, 28(1), 97-105.

Richard Cairncross

Hums, M. E.; Cairncross, R. A.; Spatari, S. Life-Cycle Assessment of Biodiesel Produced from Grease Trap Waste. Environ. Sci. Technol. 2016, 50 (5), 2718-2726.

Nily Dan

Danino, D.; Abezgauz, L.; Portnaya, I.; Dan, N. From Discs to Ribbons Networks: The 2^nd Critical Micelle Concentration in Nonionic Sterol Solutions. J. Phys. Chem. Lett. 2016, 7, 1434-1439.

Dan, N. Compound release from nanostructured lipid carriers (NLCs). J. Food Eng. 2016, 171, 37-43.

Dan, N. Transport and release in nano-carriers for food applications. J. Food Eng. 2016, 175, 136-144.

Portnaya, I.; Sharon, A.; Kesselman, E.; Boyarsky, Y.; Sukenik, S.; Harries, D.; Dan, N.; Cogan, U.; Danino, D. Competition between Micellization and Fibrillization in Mixtures of Casein Proteins. Phys. Chem. Chem. Phys. 2016, DOI: 10.1039/C6CP04582K.

Aaron Fafarman

Dastidar, S.; Egger, D. A.; Tan, L. Z.; Cromer, S. B.; Dillon, A. D.; Liu, S.; Kronik, L.; Rappe, A. M.; Fafarman, A. T. High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide. Nano Lett. 2016, 16 (6), 3563–3570, DOI: 10.1021/acs.nanolett.6b00635.

Dillon, A. D.; Ghidiu, M. J.; Krick, A. L.; Griggs, J.; May, S. J.; Gogotsi, Y.; Barsoum, M. W.; Fafarman, A. T. Highly Conductive Optical Quality Solution-Processed Films of 2D Titanium Carbide. Adv. Funct. Mater. 2016, 26 (23), 4162–4168, DOI: 10.1002/adfm.201600357.

Dillon, A. D.; Le Quoc, L.; Goktas, M.; Opasanont, B.; Dastidar, S.; Mengel, S.; Baxter, J. B.; Fafarman, A. T. Thin Films of Copper Indium Selenide Fabricated with High Atom Economy by Electrophoretic Deposition of Nanocrystals under Flow. Chemical Engineering Science 2016, 154 (2), 128–135, DOI: 10.1016/j.ces.2016.06.056.

Vibha Kalra

Lawrence, D.#; Tran, C.; Mallajoysula, A.T.; Doorn, S.K.; Mohite, A.; Gupta, G.; Kalra, V. High-energy Density Nanofiber-based Solid-state Supercapacitors. J. Mater. Chem. A 2016, 4, 160. Featured as a JMCA HOT Paper.

Simotwo, S.K.; DelRe, C.#; Kalra, V. Supercapacitor Electrodes Based on High-Purity Electrospun Polyaniline and Polyaniline-Carbon Nanotube Nanofibers. ACS Appl. Mater. Interfaces 2016, 8, 21261.

Simotwo, S.K.; Kalra, V. Polyaniline-based Electrodes: Recent Application in Supercapacitors and Next Generation Rechargeable Batteries. Curr. Opin. Chem. Eng. 2016, 13, 150, Invited Review Article.

Simotwo, S.K.; Kalra, V. Study of Co-electrospun Nafion and Polyaniline Nanofibers as Potential Catalyst Support for Fuel Cell Electrodes. Electrochim. Acta 2016, 198, 156.

Singhal, R.; Kalra, V. Binder-free Hierarchically-porous Carbon Nanofibers Decorated with Cobalt Nanoparticles as Efficient Cathodes for Lithium-Oxygen Batteries. RSC Adv. 2016, 6, 103072.

Singhal, R.; Kalra, V. Cobalt nanoparticle-embedded porous carbon nanofibers with inherent N- and F-doping as binder-free bifunctional catalysts for oxygen reduction and evolution reactions. ChemPhysChem 2016, Under Revision.

Kenneth Lau

Kuba, A. G.; Smolin, Y.Y.; Soroush, M.; Lau, K.K.S. Synthesis and Integration of Poly(1-Vinylimidazole) Polymer Electrolyte in Dye Sensitized Solar Cells by Initiated Chemical Vapor Deposition. Chem. Eng. Sci. 2016, 154, 136-142.

Guiseppe Palmese

Sukhlaaied, W.; Riyajan, S-A.; Palmese, G.R. Dynamic viscosity of maleate poly(vinyl alcohol) and its copolymer measured by rheometer. Polymer Testing 2016, 56, 387-393.

McAninch, I.M.; Robinette, E.J.; J.L.; Palmese, G.R.; La Scala, J.J. Thin Film Initiation of Cracks for Fracture Toughness Measurements in Epoxy Resins. J. Appl. Polym. Sci. 2016,

Hong, A.H.; Harvey, B.G; Palmese, G.R.; Stanzione ,J.F.; Ng, H.W.; Sakkiah, S.; Tong, W.; Sadler, J.M. Experimental Data Extraction and in Silico Prediction of the Estrogenic Activity of Renewable Replacements for Bisphenol A. International Journal of Environmental Research and Public Health 2016, 13 (7), 705

Baroncini, E.A.; Yadav, S.K.; Palmese, G.R.; Stanzione, J.F. Recent advances in bio‐based epoxy resins and bio‐based epoxy curing agents. J. Appl. Polym. Sci. 2016.

Jang C.W.; Sharifi M.; Palmese G.R.; Abrams C.F. Toughness Enhancement of Thermosetting Polymers using a Novel Partially Reacted Substructure Curing Protocol: A Combined Molecular Simulation and Experimental Study. Polymer 2016, 90, 249-255.

Throckmorton J.; Palmese G.R.; Palmese G.R. Initiation of Cyanate Ester Trimerization by Dicyanamide RTILs. Polymer 2016, 91, 7-13.

Masoud Soroush

Arabi Shamsabadi, A.; Moghadam, N.; Corcoran, P.; Srinivasan, S.; Grady, M.C.; Rappe, A.R.; Soroush, M. Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling. Processes 2016, 4(2), 15; doi:10.3390/pr4020015.

Mohseni Ahooyi, T.; Arbogast, J.E.; Seider, W.D.; Oktem, U.G.; Soroush, M. Model-Predictive Safety System for Proactive Detection of Operation Hazards. AIChE J. 2016, 62, 2024-2042.

Moskowitz, I.H.; Seider, W.D.; Arbogast, J.E.; Oktem, U.G.; Soroush, M. Improved Predictions of Alarm and Safety System Performance Through Process and Operator Response-Time Modeling. AIChE J. 2016, 62, 3461-3472.

Nozari, M.; Jasinski, J.P.; Kaur, M.; Addison, A.W.; Arabi Shamsabadic, A.; Soroush, M. Crystal structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione. Acta Crystal E 2016, 72(12), 1734-1738 , https://doi.org/10.1107/S2056989016017461.

Nozari, M.; Kaur, M.; Jasinski, J.P.; Addison, A.W.; Shamsabadi, A.A.; Soroush, M. Crystal Structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol. Research Communications 2016, IUCrData, TA-MN1627AR.cif1, http://dx.doi.org/10.1107/S241431461601130.

Maureen Tang

Nykaza, J.R.; Savage, A.M.; Pan, Q.; Wang, S.; Beyer, F.L.; Tang, M.H.; Li, C.Y.; Elabd, Y.A Polymerized ionic liquid diblock copolymer as solid-state electrolyte and separator in lithium-ion battery. Polymer 2016, 101, 311-318.