ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

1

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Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain Using Polarizable Force Field Simulations (2012)

Shi, Yue ; Zhu, Crystal Z. ; Martin, Stephen F. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1716-1727. Published 2012 Jan 31. doi: 10.1021/jp210265d.

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Quantum Mechanical Continuum Solvation Models for Ionic Liquids (2012)

Bernales, Varinia S. ; Marenich, Aleksandr V. ; Contreras, Renato ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9122-9129. Published 2012 Jul 13. doi: 10.1021/jp304365v.

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3

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Hydroxyl Radical Reaction with trans-Resveratrol: Initial Carbon Radical Adduct Formation Followed by Rearrangement to Phenoxyl Radical (2012)

Li, Dan-Dan ; Han, Rui-Min ; Liang, Ran ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7154-7161. Published 2012 Jun 12. doi: 10.1021/jp3033337.

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Systematic Investigation on the Central Metal Ion Dependent Binding Geometry of M-meso-Tetrakis(N-methylpyridinium-4-yl)porphyrin to DNA and Their Efficiency as an Acceptor in DNA-Mediated Energy Transfer (2012)

Kim, Young Rhan ; Gong, Lindan ; Park, Jongjin ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2330-2337. Published 2012 Feb 08. doi: 10.1021/jp212291r.

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5

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Mechanism of Oil Detachment from a Silica Surface in Aqueous Surfactant Solutions: Molecular Dynamics Simulations (2012)

Liu, Qian ; Yuan, Shiling ; Yan, Hui ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2867-2875. Published 2012 Feb 27. doi: 10.1021/jp2118482.

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Publication Date: 2012-02-27

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6

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Phase Behavior of Liquid Crystals with CO2 (2012)

de Groen, Mariëtte ; Vlugt, Thijs J. H. ; de Loos, Theo W.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9101-9106. Published 2012 Jul 11. doi: 10.1021/jp303426k.

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7

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Peptide Self-Assembly on Mica under Ethanol-Containing Atmospheres: Effects of Ethanol on Epitaxial Growth of Peptide Nanofilaments (2012)

Xie, Muyun ; Li, Hai ; Ye, Ming ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2927-2933. Published 2012 Feb 27. doi: 10.1021/jp2089438.

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8

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Adsorption, Folding, and Packing of an Amphiphilic Peptide at the Air/Water Interface (2012)

Engin, Ozge ; Sayar, Mehmet

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2198-2207. Published 2012 Feb 09. doi: 10.1021/jp206327y.

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9

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Molecular Dynamics Studies of Fluid/Oil Interfaces for Improved Oil Recovery Processes (2012)

de Lara, Lucas S. ; Michelon, Mateus F. ; Miranda, Caetano R.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14667-14676. Published 2012 Dec 11. doi: 10.1021/jp310172j.

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10

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The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces (2012)

Liu, Hongyi ; Li, Yan ; Krause, Wendy E. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1570-1578. Published 2012 Jan 31. doi: 10.1021/jp209024r.

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11

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Fundamental Thermochemical Properties of Amino Acids: Gas-Phase and Aqueous Acidities and Gas-Phase Heats of Formation (2012)

Stover, Michele L. ; Jackson, Virgil E. ; Matus, Myrna H. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2905-2916. Published 2012 Feb 23. doi: 10.1021/jp207271p.

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Publication Date: 2012-02-23

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12

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Effect of Solvent-Induced Coil to Helix Conformational Change on the Two-Photon Absorption Spectrum of Poly(3,6-phenanthrene) (2012)

Vivas, M. G. ; Koeckelberghs, Guy ; Mendonca, C. R.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14708-14714. Published 2012 Dec 06. doi: 10.1021/jp308161x.

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Publication Date: 2012-12-06

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13

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Atomistic Simulations of a Multicomponent Asymmetric Lipid Bilayer (2012)

Polley, Anirban ; Vemparala, Satyavani ; Rao, Madan

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13403-13410. Published 2012 Nov 01. doi: 10.1021/jp3032868.

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Publication Date: 2012-11-01

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14

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Molecular Dynamic Simulation of Dicationic Ionic Liquids: Effects of Anions and Alkyl Chain Length on Liquid Structure and Diffusion (2012)

Yeganegi, Saeid ; Soltanabadi, Azim ; Farmanzadeh, Davood

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(37): 11517-11526. Published 2012 Sep 05. doi: 10.1021/jp3059933.

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Publication Date: 2012-09-05

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15

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Near-IR Resonance Raman Spectroscopy of Archaerhodopsin 3: Effects of Transmembrane Potential (2012)

Saint Clair, Erica C. ; Ogren, John I. ; Mamaev, Sergey ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14592-14601. Published 2012 Dec 11. doi: 10.1021/jp309996a.

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16

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Photophysical Properties and Singlet Oxygen Generation of Three Sets of Halogenated Corroles (2012)

Shao, Wenli ; Wang, Hui ; He, Shuang ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14228-14234. Published 2012 Nov 29. doi: 10.1021/jp306826p.

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Publication Date: 2012-11-29

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17

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Site Specific Interaction of the Polyphenol EGCG with the SEVI Amyloid Precursor Peptide PAP(248–286) (2012)

Popovych, Nataliya ; Brender, Jeffrey R. ; Soong, Ronald ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(11): 3650-3658. Published 2012 Mar 07. doi: 10.1021/jp2121577.

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Publication Date: 2012-03-07

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18

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PNP Equations with Steric Effects: A Model of Ion Flow through Channels (2012)

Horng, Tzyy-Leng ; Lin, Tai-Chia ; Liu, Chun ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(37): 11422-11441. Published 2012 Sep 10. doi: 10.1021/jp305273n.

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19

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Effects of Interaction of Ionic and Nonionic Surfactants on Self-Assembly of PEO–PPO–PEO Triblock Copolymer in Aqueous Solution (2012)

Nambam, J. S. ; Philip, John

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1499-1507. Published 2012 Jan 26. doi: 10.1021/jp208902a.

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Publication Date: 2012-01-26

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20

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Nonphotochemical Base-Catalyzed Hydroxylation of 2,6-Dichloroquinone by H2O2Occurs by a Radical Mechanism (2012)

Franzen, Stefan ; Sasan, Koroush ; Sturgeon, Bradley E. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1666-1676. Published 2012 Jan 25. doi: 10.1021/jp208536x.

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Publication Date: 2012-01-25

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21

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pH- and Voltage-Responsive Chitosan Hydrogel through Covalent Cross-Linking with Catechol (2012)

Zhang, Yongchao ; Thomas, Yanique ; Kim, Eunkyoung ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1579-1585. Published 2012 Jan 24. doi: 10.1021/jp210043w.

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Publication Date: 2012-01-24

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22

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Liquid Dimethyl Carbonate: A Quantum Chemical and Molecular Dynamics Study (2012)

Reddy, Sandeep K. ; Balasubramanian, Sundaram

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14892-14902. Published 2012 Dec 13. doi: 10.1021/jp309374m.

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23

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Electron Configuration and Hydrogen-Bonding Pattern in Several Thymine and Uracil Analogues Studied by 1H–14N NQDR and DFT/QTAIM (2012)

Seliger, Janez ; Žagar, Veselko ; Latosińska, Magdalena ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8793-8804. Published 2012 Jul 18. doi: 10.1021/jp302659k.

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Publication Date: 2012-07-18

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24

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Capacitance Spectroscopy: A Versatile Approach To Resolving the Redox Density of States and Kinetics in Redox-Active Self-Assembled Monolayers (2012)

Bueno, Paulo R. ; Mizzon, Giulia ; Davis, Jason J.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8822-8829. Published 2012 Jul 23. doi: 10.1021/jp303700f.

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Publication Date: 2012-07-23

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25

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Supported Lipid Monolayer with Improved Nanomechanical Stability: Effect of Polymerization (2012)

El Zein, Racha ; Dallaporta, Hervé ; Charrier, Anne M.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7190-7195. Published 2012 Jun 12. doi: 10.1021/jp302306r.

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Publication Date: 2012-06-12

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26

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Study of Interaction Energies between the PAMAM Dendrimer and Nonsteroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MS (2012)

Avila-Salas, Fabián ; Sandoval, Claudia ; Caballero, Julio ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2031-2039. Published 2012 Feb 10. doi: 10.1021/jp2069122.

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27

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Hydrophobic and Hydrophilic Associations of a Methanol Pair in Aqueous Solution (2012)

Ghosh, Manik Kumer ; Uddin, Nizam ; Choi, Cheol Ho

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14254-14260. Published 2012 Nov 27. doi: 10.1021/jp308936g.

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Publication Date: 2012-11-27

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28

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Probing Structural and Motional Features of the C-Terminal Part of the Human Centrin 2/P17-XPC Microcrystalline Complex by Solid-State NMR Spectroscopy (2012)

Herbert-Pucheta, Jose-Enrique ; Chan-Huot, Monique ; Duma, Luminita ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14581-14591. Published 2012 Dec 11. doi: 10.1021/jp3099472.

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29

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EPR and Circular Dichroism Solution Studies on the Interactions of Bovine Serum Albumin with Ionic Surfactants and β-Cyclodextrin (2012)

Rogozea, Adina ; Matei, Iulia ; Turcu, Ioana M. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14245-14253. Published 2012 Nov 29. doi: 10.1021/jp308650r.

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30

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Discrimination of 4-Hydroxyproline Diastereomers by Vibrational Spectroscopy of the Gaseous Protonated Species (2012)

Crestoni, Maria Elisa ; Chiavarino, Barbara ; Scuderi, Debora ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8771-8779. Published 2012 Jul 25. doi: 10.1021/jp302382p.

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31

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Exploration of the Pyrazinamide Polymorphism at High Pressure (2012)

Tan, Xiao ; Wang, Kai ; Li, Shourui ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14441-14450. Published 2012 Dec 03. doi: 10.1021/jp3039219.

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32

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Colloidal Model of Lysozyme Aqueous Solutions: A Computer Simulation and Theoretical Study (2012)

Pellicane, Giuseppe

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2114-2120. Published 2012 Feb 13. doi: 10.1021/jp212048j.

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33

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Denaturation and Preservation of Globular Proteins: The Role of DMSO (2012)

Giugliarelli, Alessandra ; Paolantoni, Marco ; Morresi, Assunta ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13361-13367. Published 2012 Nov 05. doi: 10.1021/jp308655p.

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34

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Proton Transfer Step in the Carbon Dioxide Capture by Monoethanol Amine: A Theoretical Study at the Molecular Level (2012)

Iida, Kenji ; Sato, Hirofumi

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2244-2248. Published 2012 Feb 10. doi: 10.1021/jp212225r.

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35

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Virtually Nonexistent Correlation between the OH Stretching Frequency and the Instantaneous Geometry in the Short Hydrogen Bond of Sodium Hydrogen Bis(sulfate): Advanced Chemometrics Analysis (2012)

Pirc, Gordana ; Mavri, Janez ; Novič, Marjana ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7221-7231. Published 2012 May 31. doi: 10.1021/jp212372z.

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36

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Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity (2012)

Galano, Annia ; León-Carmona, Jorge Rafael ; Alvarez-Idaboy, Juan Raúl

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7129-7137. Published 2012 Jun 08. doi: 10.1021/jp302810w.

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Role of the Hofmeister Series in the Formation of Ionic-Liquid-Based Aqueous Biphasic Systems (2012)

Shahriari, Shahla ; Neves, Catarina M. S. S. ; Freire, Mara G. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7252-7258. Published 2012 May 25. doi: 10.1021/jp300874u.

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Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering (2012)

Chathoth, Suresh M. ; Anjos, Daniela M. ; Mamontov, Eugene ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7291-7295. Published 2012 Jun 08. doi: 10.1021/jp302155a.

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39

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Structure of Molten CaSiO3: Neutron Diffraction Isotope Substitution with Aerodynamic Levitation and Molecular Dynamics Study (2012)

Skinner, L. B. ; Benmore, C. J. ; Weber, J. K. R. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13439-13447. Published 2012 Nov 06. doi: 10.1021/jp3066019.

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40

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Ion Segregation in Aqueous Solutions (2012)

Bian, Hongtao ; Li, Jiebo ; Zhang, Qiang ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14426-14432. Published 2012 Dec 03. doi: 10.1021/jp310153n.

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41

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Effects of Lithium Salts on Shear Relaxation Spectra of Pyrrolidinium-Based Ionic Liquids (2012)

Yamaguchi, Tsuyoshi ; Mikawa, Ken-ichi ; Koda, Shinobu ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7322-7327. Published 2012 Jun 07. doi: 10.1021/jp3032308.

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42

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Atomic Force Microscopy and MD Simulations Reveal Pore-Like Structures of All-d-Enantiomer of Alzheimer’s β-Amyloid Peptide: Relevance to the Ion Channel Mechanism of AD Pathology (2012)

Connelly, Laura ; Jang, Hyunbum ; Teran Arce, Fernando ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1728-1735. Published 2012 Jan 25. doi: 10.1021/jp2108126.

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43

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Nonfouling Hydrogels Formed from Charged Monomer Subunits (2012)

Dobbins, Sean C. ; McGrath, Daniel E. ; Bernards, Matthew T.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14346-14352. Published 2012 Dec 04. doi: 10.1021/jp307588b.

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44

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Synthesis and Photophysical Properties of a Supramolecular Host–Guest Assembly Constructed by Fullerenes and Tryptamine Modified Hypocrellin (2012)

Ou, Zhize ; Jin, Helin ; Gao, Yunyan ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2048-2058. Published 2012 Feb 14. doi: 10.1021/jp209969f.

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45

Unknown

Coarse-Grained Molecular Dynamics Simulations of the Phase Behavior of the 4-Cyano-4′-pentylbiphenyl Liquid Crystal System (2012)

Zhang, Jianguo ; Su, Jiaye ; Ma, Yanping ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2075-2089. Published 2012 Feb 08. doi: 10.1021/jp210764h.

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46

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Isothermal Crystallization of Short Polymer Chains Induced by the Oriented Slab and the Stretched Bundle of Polymer: A Molecular Dynamics Simulation (2012)

Yang, Jun-Sheng ; Yang, Chuan-Lu ; Wang, Mei-Shan ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2040-2047. Published 2012 Feb 14. doi: 10.1021/jp209495w.

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47

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Population Balance Modeling of Antibodies Aggregation Kinetics (2012)

Arosio, Paolo ; Rima, Simonetta ; Lattuada, Marco ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7066-7075. Published 2012 Jun 04. doi: 10.1021/jp301091n.

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48

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Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon-Tetrachloride Mixtures II: Excited State Hydrogen Bonding Structure and Dynamics, Infrared Emission Spectrum, and Excited State Lifetime (2012)

Kwac, Kijeong ; Geva, Eitan

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2856-2866. Published 2012 Feb 24. doi: 10.1021/jp211792j.

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49

Unknown

pH-, Sugar-, and Temperature-Sensitive Electrochemical Switch Amplified by Enzymatic Reaction and Controlled by Logic Gates Based on Semi-Interpenetrating Polymer Networks (2012)

Liu, Dan ; Liu, Hongyun ; Hu, Naifei

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1700-1708. Published 2012 Jan 30. doi: 10.1021/jp209788g.

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50

Unknown

Validation of Response Function Construction and Probing Heterogeneous Protein Hydration by Intrinsic Tryptophan (2012)

Qin, Yangzhong ; Chang, Chih-Wei ; Wang, Lijuan ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13320-13330. Published 2012 Nov 02. doi: 10.1021/jp305118n.

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51

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Utilizing Afterglow Magnetization from Cross-Polarization Magic-Angle-Spinning Solid-State NMR Spectroscopy to Obtain Simultaneous Heteronuclear Multidimensional Spectra (2012)

Banigan, James R. ; Traaseth, Nathaniel J.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7138-7144. Published 2012 May 31. doi: 10.1021/jp303269m.

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52

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Modeling the [NTf2] Pyridinium Ionic Liquids Family and Their Mixtures with the Soft Statistical Associating Fluid Theory Equation of State (2012)

Oliveira, M. B. ; Llovell, F. ; Coutinho, J. A. P. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9089-9100. Published 2012 Jul 11. doi: 10.1021/jp303166f.

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53

Unknown

Nanoparticle Surface Charge Mediates the Cellular Receptors Used by Protein–Nanoparticle Complexes (2012)

Fleischer, Candace C. ; Payne, Christine K.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8901-8907. Published 2012 Jul 20. doi: 10.1021/jp304630q.

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54

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Effect of Anions on the Cloud Point Temperature of Aqueous Poly(2-ethyl-2-oxazoline) Solutions (2012)

Tatar Güner, Pınar ; Demirel, A. Levent

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14510-14514. Published 2012 Dec 04. doi: 10.1021/jp310648d.

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55

Unknown

New Columnar Zn-Phthalocyanine Designed for Electronic Applications (2012)

Bechtold, Ivan H. ; Eccher, Juliana ; Faria, Gregório C. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13554-13560. Published 2012 Nov 05. doi: 10.1021/jp307825u.

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56

Unknown

Understanding the Binding Mechanism of Various Chiral SWCNTs and ssDNA: A Computational Study (2012)

Neihsial, Siamkhanthang ; Periyasamy, Ganga ; Samanta, Pralok K. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14754-14759. Published 2012 Dec 13. doi: 10.1021/jp305894c.

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57

Unknown

Prototropism of [2,2′-Bipyridyl]-3,3′-diol in Albumin–SDS Aggregates (2012)

De, Dipanwita ; Santra, Kalyan ; Datta, Anindya

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(37): 11466-11472. Published 2012 Sep 07. doi: 10.1021/jp306027h.

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58

Unknown

Ultrafast Hydrogen-Bonding Dynamics in the Electronic Excited State of Photoactive Yellow Protein Revealed by Femtosecond Stimulated Raman Spectroscopy (2012)

Nakamura, Ryosuke ; Hamada, Norio ; Abe, Kenta ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14768-14775. Published 2012 Dec 14. doi: 10.1021/jp308433a.

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59

Unknown

Synthesis and Characterization of Biphenyl-Based Lithium Solvated Electron Solutions (2012)

Seng Tan, Kim ; Grimsdale, Andrew C. ; Yazami, Rachid

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9056-9060. Published 2012 Jul 23. doi: 10.1021/jp302160a.

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60

Unknown

Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer Using Coarse-Grained Molecular Dynamics Simulations (2012)

Hezaveh, Samira ; Samanta, Susruta ; De Nicola, Antonio ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14333-14345. Published 2012 Nov 30. doi: 10.1021/jp306565e.

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61

Unknown

Excited-State Electronic Properties of 6-Methylisoxanthopterin (6-MI): An Experimental and Theoretical Study (2012)

Kodali, Goutham ; Narayanan, Madhavan ; Stanley, Robert J.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2981-2989. Published 2012 Feb 28. doi: 10.1021/jp2110083.

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62

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Structural Transformation of Isopropylamine Semiclathrate Hydrates in the Presence of Methane as a Coguest (2012)

Lee, Seungmin ; Lee, Youngjun ; Park, Sungwon ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13476-13480. Published 2012 Nov 01. doi: 10.1021/jp308640m.

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63

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Comparison between Cycloalkyl- and n-Alkyl-Substituted Imidazolium-Based Ionic Liquids in Physicochemical Properties and Reorientational Dynamics (2012)

Mandai, Toshihiko ; Masu, Hyuma ; Imanari, Mamoru ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2059-2064. Published 2012 Feb 08. doi: 10.1021/jp210273q.

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64

Unknown

Simple and Highly Sensitive Measurement Method for Detection of Glass Transition Temperatures of Polymers: Application of ESR Power Saturation Phenomenon with Conventional Spin-Probe Technique (2012)

Miwa, Yohei ; Yamamoto, Katsuhiro

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9277-9284. Published 2012 Jul 23. doi: 10.1021/jp305433k.

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65

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Toward the Mechanism of Ionic Dissociation in Water (2012)

Ballard, Andrew J. ; Dellago, Christoph

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13490-13497. Published 2012 Nov 01. doi: 10.1021/jp309300b.

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66

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Cholesterol Modulates the Structure, Binding Modes, and Energetics of Caveolin–Membrane Interactions (2012)

Sengupta, Durba

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14556-14564. Published 2012 Dec 10. doi: 10.1021/jp3077886.

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67

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The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme: A Molecular Simulation Study (2012)

Sgrignani, Jacopo ; Magistrato, Alessandra

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2259-2268. Published 2012 Feb 10. doi: 10.1021/jp206475d.

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68

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Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell (2012)

Pahari, Swagata ; Choudhury, Chandan Kumar ; Pandey, Prithvi Raj ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7357-7366. Published 2012 Jun 12. doi: 10.1021/jp301117m.

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69

Unknown

Calcium-43 NMR Studies of Polymorphic Transition of Calcite to Aragonite (2012)

Huang, Yu-Chieh ; Mou, Yun ; Tsai, Tim Wen-Tin ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14295-14301. Published 2012 Nov 28. doi: 10.1021/jp309923p.

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70

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Thermal Dehydration of Magnesium Acetate Tetrahydrate: Formation and in Situ Crystallization of Anhydrous Glass (2012)

Koga, Nobuyoshi ; Suzuki, Yasumichi ; Tatsuoka, Tomoyuki

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14477-14486. Published 2012 Dec 04. doi: 10.1021/jp3052517.

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71

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Dynamics of Molecular Rotors Confined in Two Dimensions: Transition from a 2D Rotational Glass to a 2D Rotational Fluid in a Periodic Mesoporous Organosilica (2012)

Vogelsberg, Cortnie S. ; Bracco, Silvia ; Beretta, Mario ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1623-1632. Published 2012 Jan 26. doi: 10.1021/jp2119263.

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72

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Regulation of the Electric Charge in Phosphatidic Acid Domains (2012)

Wang, Wenjie ; Anderson, Nathaniel A. ; Travesset, Alex ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7213-7220. Published 2012 Jun 06. doi: 10.1021/jp303840a.

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Substituent Effect on the Structural Behavior of Modified Cyclodextrin: A Molecular Dynamics Study on Methylated β-CDs (2012)

Li, Wan-Sheung ; Wang, San-Chi ; Hwang, Tsong-Song ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(11): 3477-3489. Published 2012 Mar 08. doi: 10.1021/jp207985q.

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In-situ SAXS Study of Aqueous Clay Suspensions Submitted to Alternating Current Electric Fields (2012)

Paineau, Erwan ; Dozov, Ivan ; Philippe, Adrian-Marie ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(45): 13516-13524. Published 2012 Nov 05. doi: 10.1021/jp3064728.

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75

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The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 Å Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed QM/MM Calculations (2012)

Sharma, Satyan ; Bhaumik, Prasenjit ; Schmitz, Werner ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(11): 3619-3629. Published 2012 Mar 07. doi: 10.1021/jp210185m.

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76

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Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers through Computational Calorimetry (2012)

Rodgers, Jocelyn M. ; Sørensen, Jesper ; de Meyer, Frédérick J.-M. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1551-1569. Published 2012 Jan 25. doi: 10.1021/jp207837v.

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77

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Proton Transport Pathways in [NiFe]-Hydrogenase (2012)

Sumner, Isaiah ; Voth, Gregory A.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2917-2926. Published 2012 Feb 27. doi: 10.1021/jp208512y.

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Water Adsorption at Two Unsolvated Peptides with a Protonated Lysine Residue: From Self-Solvation to Solvation (2012)

Chutia, Sucismita ; Rossi, Mariana ; Blum, Volker

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14788-14804. Published 2012 Dec 10. doi: 10.1021/jp3098268.

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79

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Calorimetric and Spectroscopic Evidence of Chain-Melting in Smectic E and Smectic A Phases of 4-Alkyl-4′-isothiocyanatobiphenyl (nTCB) (2012)

Yamamura, Yasuhisa ; Adachi, Takuya ; Miyazawa, Takahito ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9255-9260. Published 2012 Jul 17. doi: 10.1021/jp303972s.

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80

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Photocontrol of Reversible Amyloid Formation with a Minimal-Design Peptide (2012)

Waldauer, Steven A. ; Hassan, Shabir ; Paoli, Beatrice ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8961-8973. Published 2012 Jul 16. doi: 10.1021/jp305311z.

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Water Is a Poor Solvent for Densely Grafted Poly(ethylene oxide) Chains: A Conclusion Drawn from a Self-Consistent Field Theory-Based Analysis of Neutron Reflectivity and Surface Pressure–Area Isotherm Data (2012)

Lee, Hoyoung ; Kim, Dae Hwan ; Witte, Kevin N. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(24): 7367-7378. Published 2012 Jun 04. doi: 10.1021/jp301817e.

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Aggregation Behavior of Surface Active Imidazolium Ionic Liquids in Ethylammonium Nitrate: Effect of Alkyl Chain Length, Cations, and Counterions (2012)

Shi, Lijuan ; Zheng, Liqiang

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2162-2172. Published 2012 Feb 14. doi: 10.1021/jp211338k.

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83

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Interactions between Ether Phospholipids and Cholesterol As Determined by Scattering and Molecular Dynamics Simulations (2012)

Pan, Jianjun ; Cheng, Xiaolin ; Heberle, Frederick A. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14829-14838. Published 2012 Dec 13. doi: 10.1021/jp310345j.

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84

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Amino Acid Solvation in Aqueous Kosmotrope Solutions: Temperature Dependence of the l-Histidine–Glycerol Interaction (2012)

Kustov, Andrey V. ; Smirnova, Nataliya L. ; Neueder, Roland ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2325-2329. Published 2012 Feb 14. doi: 10.1021/jp2121559.

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Site-Specific Measurement of Water Dynamics in the Substrate Pocket of Ketosteroid Isomerase Using Time-Resolved Vibrational Spectroscopy (2012)

Jha, Santosh Kumar ; Ji, Minbiao ; Gaffney, Kelly J. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(37): 11414-11421. Published 2012 Sep 07. doi: 10.1021/jp305225r.

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86

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Thermal Analysis and Raman Spectra of Different Phases of the Ionic Liquid Butyltrimethylammonium Bis(trifluoromethylsulfonyl)imide (2012)

Faria, Luiz F. O. ; Matos, Jivaldo R. ; Ribeiro, Mauro C. C.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9238-9245. Published 2012 Jul 12. doi: 10.1021/jp3051824.

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87

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How the Interplay between Mechanical and Nonmechanical Interactions Affects Multiple Kinesin Dynamics (2012)

Uppulury, Karthik ; Efremov, Artem K. ; Driver, Jonathan W. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 8846-8855. Published 2012 Jul 11. doi: 10.1021/jp304018b.

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88

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Salt Induced Lamellar to Bicontinuous Cubic Phase Transitions in Cationic Nanoparticles (2012)

Muir, Benjamin W. ; Zhen, Guoliang ; Gunatillake, Pathiraja ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(11): 3551-3556. Published 2012 Mar 12. doi: 10.1021/jp300239g.

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89

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A Microscopic Model of Singlet Fission (2012)

Teichen, Paul E. ; Eaves, Joel D.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(37): 11473-11481. Published 2012 Sep 11. doi: 10.1021/jp208905k.

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90

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Modeling the Solubility of Carbon Dioxide in Imidazolium-Based Ionic Liquids with the PC-SAFT Equation of State (2012)

Chen, Yushu ; Mutelet, Fabrice ; Jaubert, Jean-Noël

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14375-14388. Published 2012 Dec 03. doi: 10.1021/jp309944t.

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91

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Efficient Calculation of Molecular Configurational Entropies Using an Information Theoretic Approximation (2012)

King, Bracken M. ; Silver, Nathaniel W. ; Tidor, Bruce

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 2891-2904. Published 2012 Feb 22. doi: 10.1021/jp2068123.

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92

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Role of Ion–Dipole Interactions in Nucleation of Gamma Poly(vinylidene fluoride) in the Presence of Graphene Oxide during Melt Crystallization (2012)

Li, Yue ; Xu, Jia-Zhuang ; Zhu, Lei ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14951-14960. Published 2012 Dec 17. doi: 10.1021/jp3087607.

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93

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Supramolecular Control of Photochemical and Electrochemical Properties of Two Oligothiophene Derivatives at the Air/Water Interface (2012)

Selector, Sophiya ; Fedorova, Olga ; Lukovskaya, Elena ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(5): 1482-1490. Published 2012 Jan 25. doi: 10.1021/jp2074122.

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94

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Hydration and Mobility of Trehalose in Aqueous Solution (2012)

Winther, Louise Revsbech ; Qvist, Johan ; Halle, Bertil

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(30): 9196-9207. Published 2012 Jul 18. doi: 10.1021/jp304982c.

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95

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Strategy of Directly Employing Paclitaxel To Construct Vesicles (2012)

Sun, Tao ; Yan, Hui ; Liu, Guangcun ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(50): 14628-14636. Published 2012 Dec 06. doi: 10.1021/jp310261j.

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96

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Difference between Magainin-2 and Melittin Assemblies in Phosphatidylcholine Bilayers: Results from Coarse-Grained Simulations (2012)

Santo, Kolattukudy P. ; Berkowitz, Max L.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(9): 3021-3030. Published 2012 Feb 23. doi: 10.1021/jp212018f.

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97

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Mechanism of Hydrophobic Drug Solubilization by Small Molecule Hydrotropes (2012)

Booth, Jonathan J. ; Abbott, Steven ; Shimizu, Seishi

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(51): 14915-14921. Published 2012 Dec 13. doi: 10.1021/jp309819r.

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98

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Anion Effects in the Scattering of CO2 from the Room-Temperature Ionic Liquids [bmim][BF4] and [bmim][Tf2N]: Insights from Quantum Mechanics/Molecular Mechanics Trajectories (2012)

Li, Xiaohu ; Schatz, George C. ; Nesbitt, David J.

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(11): 3587-3602. Published 2012 Mar 07. doi: 10.1021/jp2123357.

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99

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Influence of Solvent Polarity on Preferential Solvation of Molecular Recognition Probes in Solvent Mixtures (2012)

Amenta, Valeria ; Cook, Joanne L. ; Hunter, Christopher A. ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(49): 14433-14440. Published 2012 Nov 28. doi: 10.1021/jp310379h.

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100

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G-Quadruplexes from Human Telomeric DNA: How Many Conformations in PEG Containing Solutions? (2012)

Petraccone, Luigi ; Malafronte, Anna ; Amato, Jussara ; [et al.]

American Chemical Society

In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry. 2012; 116(7): 2294-2305. Published 2012 Feb 08. doi: 10.1021/jp209170v.

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