Results 31 to 40 of about 21,966 (276)

Characterization of Dimethylsulfoxide / Glycerol Mixtures: A Binary Solvent System for the Study of "Friction-Dependent" Chemical Reactivity

, 2016
The properties of binary mixtures of dimethylsulfoxide and glycerol, measured by several techniques, are reported. Special attention is given to those properties contributing or affecting chemical reactions.
Angulo, Gonzalo, Brucka, Marta, Gerecke, Mario, Grampp, Günter, Jeannerat, Damien, Milkiewicz, Jadwiga, Mitrev, Yavor, Radzewicz, Czesław, Rosspeintner, Arnulf, Vauthey, Eric, Wnuk, Paweł   +10 more
core   +2 more sources

Two-fluid model for the simultaneous flow of colloids and fluids in porous media [PDF]

, 2011
To describe the velocities of particles such as ions, protein molecules and colloids dispersed or dissolved in a fluid, it is important to also describe the forces acting on the fluid, including pressure gradients and friction of the fluid with the ...
Biesheuvel, P.M.
core   +2 more sources

The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients. [PDF]

, 2019
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the solute.
Briggs W. L., Christopher J. Stein, Debye P., John M. Herbert, Martin Head-Gordon, Pedregosa F., Sechenov I., Stern O.   +7 more
core   +2 more sources

Quantum Chemical (QC) Calculations and Linear Solvation Energy Relationships (LSER): Hydrogen-Bonding Calculations with New QC-LSER Molecular Descriptors

Liquids
A new method, based on quantum chemical calculations, is proposed for the thermodynamically consistent reformulation of QSPR-type Linear Free-Energy Relationship (LFER) models.
Costas Panayiotou
doaj   +1 more source

The Viscosity of Asphaltene- Containing Oil [PDF]

, 2011
Imperial Users ...
Odubanjo, Oluwateleola, Odubanjo, Oluwateleola   +1 more
core  

In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS

FEBS Letters, EarlyView.
We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka, Yuxi Liu, Stefano Maggi, Debnath Ghosal, Jue Wang, Prashant P. Damke, Stephen D. Carter, Wei Zhao, Sukhithasri Vijayrajratnam, Joseph P. Vogel, Carrie L. Shaffer, Grant J. Jensen   +11 more
wiley   +1 more source

Synthesis, solvatochromism, electronic structure and nonlinear optic properties of quinolin-8-yl 2-hydroxybenzoate

Macedonian Journal of Chemistry and Chemical Engineering, 2018
Quinolin-8-yl-2-hydroxybenzoate (abbreviated as QHB) was synthesized and investigated both experimentally and theoretically to obtain its physical and electronic properties.
Ayşegül Gümüş, Yadigar Gülseven Sıdır, İsa Sıdır, Selçuk Gümüş   +3 more
doaj   +1 more source

Variational Methods for Biomolecular Modeling

, 2016
Structure, function and dynamics of many biomolecular systems can be characterized by the energetic variational principle and the corresponding systems of partial differential equations (PDEs).
A Ivankin, A Jaramillo, A Warshel, AB Camley, B Lee, B Li, B Li, B Li, B Lu, B Lu, B Wang, BJ Reynwar, BR Brooks, C Mim, D Marsh, D Spoel Van Der, DG Thomas, DL Parton, E Gallicchio, E Gallicchio, EA Evans, F Campelo, FH Stillinger, FM Richards, FS Cohen, G Archontis, G-W Wei, G-W Wei, G-W Wei, GP Leser, GW Wei, HT McMahon, HY Lin, I Massova, I Park, IR Cooke, J Dzubiella, J Faraudo, J Gumbart, J Strain, J Wagoner, J Zimmerberg, JA Grant, JA Grant, JA Grant, JA Wagoner, JC Phillips, JC Stachowiak, JD Madura, JE Rothman, JMJ Swanson, K Farsad, K Lum, K Simons, KA Sharp, KM Callenberg, KS Kim, L-T Gao, LJ Pike, M Daily, M Feig, MD Huang, ME Davis, N Choudhury, N Gavish, NA Baker, NW Schmidt, O Sten-Knudsen, P Concus, P Grochowski, PB Canham, PW Bates, PW Bates, Q Du, Q Du, Q Du, Q Zheng, Q Zheng, R Brewster, R Brewster, R Parthasarathy, RA Pierotti, RE Skyner, RJ Ryham, S Choe, S Dai, S Li, S Osher, S Xu, S Zhao, S Zhao, SC Brenner, T Baumgart, T Kirchhausen, T Simonson, T Sollner, T Takahashi, T Witkowski, T-L Horng, V Luzhkov, VB Chu, W Geng, X Chen, X Chen, Y Tang, Y Wang, Y Wang, Y Wang, Y Zhao, YC Zhou, YC Zhou, Z Chen, Z Chen, Z Chen, ZY Yu   +114 more
core   +1 more source

Linear solvation energy relationships (LSER) for adsorption of organic compounds by carbon nanotubes [PDF]

Water Research, 2016
The objective of this paper was to create a comprehensive database for the adsorption of organic compounds by carbon nanotubes (CNTs) and to use the Linear Solvation Energy Relationship (LSER) technique for developing predictive adsorption models of organic compounds (OCs) by multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes ...
Gamze, Ersan, Onur G, Apul, Tanju, Karanfil   +2 more
openaire   +2 more sources

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source