Volume 117; Issue 18

Journal of Physical Chemistry B

Volume 117; Issue 18

1

Combined Spectroscopic and Computational Analysis of the Vibrational Properties of Vitamin B 12 in its Co 3+ , Co 2+ , and Co 1+ Oxidation States

Park, Kiyoung, Brunold, Thomas C.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 892 KB

english, 2013

2

Water-Soluble Polymer Exfoliated Graphene: As Catalyst Support and Sensor

Wang, Haibo, Xia, Baoyu, Yan, Ya, Li, Nan, Wang, Jing-Yuan, Wang, Xin

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2013

3

Fluorescence following Excited-State Protonation of Riboflavin at N(5)

Quick, Martin, Weigel, Alexander, Ernsting, Nikolaus P.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 834 KB

english, 2013

4

Singlet Oxygen Generation and Triplet Excited-State Spectra of Brominated BODIPY

Zhang, Xian-Fu, Yang, Xudong

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 662 KB

english, 2013

5

Structural Characterization and Molecular Order of Rodlike Mesogens with Three- and Four-Ring Core by XRD and 13 C NMR Spectroscopy

Kesava Reddy, M., Subramanyam Reddy, K., Yoga, K., Prakash, M., Narasimhaswamy, T., Mandal, A. B., Lobo, Nitin P., Ramanathan, K. V., Rao, D. S. Shankar, Krishna Prasad, S.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.10 MB

english, 2013

6

Resonance Raman Investigation of β-Cyclodextrin-Encapsulated π-Conjugated Polymers

Kasiouli, Soulianna, Di Stasio, Francesco, McDonnell, Shane O., Constantinides, Christos P., Anderson, Harry L., Cacialli, Franco, Hayes, Sophia C.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 3.44 MB

english, 2013

7

Influence of Site-Dependent Pigment–Protein Interactions on Excitation Energy Transfer in Photosynthetic Light Harvesting

Rivera, Eva, Montemayor, Daniel, Masia, Marco, Coker, David F.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.75 MB

english, 2013

8

Bioinformatics and Molecular Dynamics Simulation Study of L1 Stalk Non-Canonical rRNA Elements: Kink-Turns, Loops, and Tetraloops

Krepl, Miroslav, Réblová, Kamila, Koča, Jaroslav, Šponer, Jiří

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.85 MB

english, 2013

9

Fibrils or Globules? Tuning the Morphology of Peptide Aggregates from Helical Building Blocks

Caruso, M., Placidi, E., Gatto, E., Mazzuca, C., Stella, L., Bocchinfuso, G., Palleschi, A., Formaggio, F., Toniolo, C., Venanzi, M.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 415 KB

english, 2013

10

Exploring the Molecular Mechanism of Trimethylamine- N -oxide’s Ability to Counteract the Protein Denaturing Effects of Urea

Sarma, Rahul, Paul, Sandip

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2013

11

Investigations of the Very Short Hydrogen Bond in the Crystal of Nitromalonamide via Car–Parrinello and Path Integral Molecular Dynamics

Durlak, Piotr, Mierzwicki, Krzysztof, Latajka, Zdzisław

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 3.71 MB

english, 2013

12

Effect of Asphaltene Structure on Association and Aggregation Using Molecular Dynamics

Sedghi, Mohammad, Goual, Lamia, Welch, William, Kubelka, Jan

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.72 MB

english, 2013

13

Solubilization of Benzene, Toluene, and Xylene (BTX) in Aqueous Micellar Solutions of Amphiphilic Imidazolium Ionic Liquids

Łuczak, Justyna, Jungnickel, Christian, Markiewicz, Marta, Hupka, Jan

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 776 KB

english, 2013

14

On the Foldability of Tryptophan-Containing Tetra- and Pentapeptides: An Exhaustive Molecular Dynamics Study

Georgoulia, Panagiota S., Glykos, Nicholas M.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 3.07 MB

english, 2013

15

Carbonic Anhydrase Promotes the Absorption Rate of CO 2 in Post-Combustion Processes

Vinoba, Mari, Bhagiyalakshmi, Margandan, Grace, Andrews Nirmala, Kim, Dae Hoon, Yoon, Yeoil, Nam, Sung Chan, Baek, Il Hyun, Jeong, Soon Kwan

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 438 KB

english, 2013

16

A Butterfly-Shaped Pyrene Derivative of Cholesterol and Its Uses as a Fluorescent Probe

Zhao, Keru, Liu, Taihong, Wang, Gang, Chang, Xingmao, Xue, Dong, Belfield, Kevin D., Fang, Yu

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 3.57 MB

english, 2013

17

Significant Melting Point Depression of Two-Dimensional Folded-Chain Crystals of Isotactic Poly(methyl methacrylate)s Observed by High-Resolution In Situ Atomic Force Microscopy

Takanashi, Yuma, Kumaki, Jiro

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 4.62 MB

english, 2013

18

Structures, Dynamics, and Stabilities of Fully Modified Locked Nucleic Acid (β- d -LNA and α- l -LNA) Duplexes in Comparison to Pure DNA and RNA Duplexes

Suresh, Gorle, Priyakumar, U. Deva

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.27 MB

english, 2013

19

Molecular Dynamics Simulations of CO 2 and Brine Interfacial Tension at High Temperatures and Pressures

Li, Xuesong, Ross, Daniel A., Trusler, J. P. Martin, Maitland, Geoffrey C., Boek, Edo S.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 940 KB

english, 2013

20

Study of an Organogelator by Diffusion-Ordered NMR Spectroscopy

Dama, Murali, Berger, Stefan

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 230 KB

english, 2013

21

Experimental Measurement of Speeds of Sound in Dense Supercritical Carbon Monoxide and Development of a High-Pressure, High-Temperature Equation of State

Zaug, Joseph M., Carter, Jeffrey A., Bastea, Sorin, Armstrong, Michael R., Crowhurst, Jonathan C., Fried, Laurence E.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2013

22

Conformational Entropy of Intrinsically Disordered Protein

Chong, Song-Ho, Ham, Sihyun

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 679 KB

english, 2013

23

Structural Relaxation Dynamics and Annealing Effects of Sodium Silicate Glass

Naji, Mohamed, Piazza, Francesco, Guimbretière, Guillaume, Canizarès, Aurélien, Vaills, Yann

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2013

24

Correction to On the Effects of Temperature, Pressure and Dissolved Salts on the Hydrogen-bond Network of Water

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 230 KB

english, 2013

25

Self-Assembly of Rod–Coil Multiblock Copolymers: A Strategy for Creating Hierarchical Smectic Structures

Zhu, Xiaomeng, Wang, Liquan, Lin, Jiaping

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2013

26

First-Principles Molecular Dynamics Simulation and Conductivity Measurements of a Molten x Li 2 O–(1 – x )B 2 O 3 System

Ohkubo, Takahiro, Tsuchida, Eiji, Gobet, Mallory, Sarou-Kanian, Vincent, Bessada, Catherine, Iwadate, Yasuhiko

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 4.09 MB

english, 2013

27

Physicochemical Studies of Bacteriorhodopsin Reconstituted in Partially Fluorinated Phosphatidylcholine Bilayers

Yoshino, Masaru, Kikukawa, Takashi, Takahashi, Hiroshi, Takagi, Toshiyuki, Yokoyama, Yasunori, Amii, Hideki, Baba, Teruhiko, Kanamori, Toshiyuki, Sonoyama, Masashi

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 286 KB

english, 2013

28

Molecular Energetics in the Capsomere of Virus-Like Particle Revealed by Molecular Dynamics Simulations

Zhang, Lin, Tang, Ronghong, Bai, Shu, Connors, Natalie K., Lua, Linda H. L., Chuan, Yap P., Middelberg, Anton P. J., Sun, Yan

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 868 KB

english, 2013

29

Effects of Spacer Length and Terminal Group on the Crystallization and Morphology of Biscarbamates: A Longer Spacer Does Not Reduce the Melting Temperature

Khan, Mostofa Kamal, Sundararajan, Pudupadi R.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.92 MB

english, 2013

30

Influence of the Macroring Size on the Self-Association Thermodynamics of Cyclodextrins with a Double-Linked Naphthalene at the Secondary Face

González-Álvarez, M. José, Benito, Juan M., García Fernández, José M., Ortiz Mellet, C., Mendicuti, Francisco

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 4.47 MB

english, 2013

31

Scoring Multipole Electrostatics in Condensed-Phase Atomistic Simulations

Bereau, Tristan, Kramer, Christian, Monnard, Fabien W., Nogueira, Elisa S., Ward, Thomas R., Meuwly, Markus

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.54 MB

english, 2013

32

Solubility Properties and Spectral Investigation of Dilute SO 2 in a Triethylene Glycol + Water + La 3+ System

Li, Qiang, Zhang, Jianbin, Li, Lihua, He, Zhiqiang, Yang, Xiaoxia, Zhang, Yongfeng, Guo, Zhenhua, Zhang, Qiancheng

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 939 KB

english, 2013

33

Adsorption Properties of Polyvinyl-Alcohol-Grafted Particles Toward Genistein Driven by Hydrogen-Bond Interaction

Zhang, Yanyan, Gao, Baojiao, Xu, Zeqing

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1004 KB

english, 2013

34

Torsional Forces Mediated by Surfactant Aggregates on Carbon Nanotube Junctions

Müter, Dirk, Bock, Henry

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.47 MB

english, 2013

35

Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow Protein

Yoshikawa, Takeshi, Kobayashi, Masato, Fujii, Atsuhiko, Nakai, Hiromi

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2013

36

Interplay of pH and Binding of Multivalent Metal Ions: Charge Inversion and Reentrant Condensation in Protein Solutions

Roosen-Runge, Felix, Heck, Benjamin S., Zhang, Fajun, Kohlbacher, Oliver, Schreiber, Frank

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2013

37

Soret Coefficient in Nonionic Microemulsions: Concentration and Structure Dependence

Naumann, Philipp, Becker, Nils, Datta, Sascha, Sottmann, Thomas, Wiegand, Simone

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2013

38

Liquid/Gas and Liquid/Liquid Phase Equilibria of the System Water/Bovine Serum Albumin

Antonov, Yurij, Eckelt, John, Sugaya, Rei, Wolf, Bernhard A.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.42 MB

english, 2013

39

Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length

Rossi, Mariana, Scheffler, Matthias, Blum, Volker

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.41 MB

english, 2013

40

Mechanism and Energetics of Ligand Release in the Aspartate Transporter Glt Ph

Heinzelmann, Germano, Bastug, Turgut, Kuyucak, Serdar

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2013

41

Confinement Effects in Block Copolymer Modified Bicontinuous Microemulsions

Maccarrone, Simona, Byelov, Dmytro V., Auth, Thorsten, Allgaier, Jürgen, Frielinghaus, Henrich, Gompper, Gerhard, Richter, Dieter

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 2.43 MB

english, 2013