Results 51 to 60 of about 153,560 (299)

Improvements to the APBS biomolecular solvation software suite [PDF]

, 2017
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical ...
Baker, Nathan A., Brandi, Juan, Brookes, David H., Chen, Jiahui, Chun, Minju, Dolinsky, Todd, Engel, Dave, Felberg, Lisa E., Geng, Weihua, Gohara, David W., Head-Gordon, Teresa, Holst, Michael J., Jurrus, Elizabeth, Koes, David R., Konecny, Robert, Krasny, Robert, Li, Peter, Liles, Karina, McCammon, J. Andrew, Monson, Kyle, Nielsen, Jens Erik, Star, Keith, Wei, Guo Wei, Wilson, Leighton   +23 more
core   +2 more sources

Cyclolinopeptide A methanol solvate [PDF]

Acta Crystallographica Section E Structure Reports Online, 2009
Crystals of the title compound, C(57)H(85)N(9)O(9)·CH(4)O, the methanol solvate of a nine peptide polypeptide, cyclo-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val), were obtained after separation of the cyclic peptide from flax oil. The cyclo-linopeptide A (CLP-A) mol-ecules are linked in chains along the a axis by N-H⋯O hydrogen bonds.
J. Wilson Quail, J. Shen, M. J. T. Reaney, R. Sammynaiken   +3 more
openaire   +3 more sources

Effects of the Fluid Replacement Method During Online Hemodiafiltration on the Solute Removal Performance and Biocompatibility Using the Asymmetric Cellulose Triacetate Membrane

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Introduction Pre‐dilution online hemodiafiltration (Pre‐HDF) is predominantly used in Japan, whereas post‐dilution online HDF (Post‐HDF) is more common in Europe. An asymmetric cellulose triacetate (ATA) membrane may improve biocompatibility.
Kenji Sakurai, Yoshitaka Kurihara, Fumi Yamauchi, Hiromi Hosoya, Takeshi Saito   +4 more
wiley   +1 more source

Anion Effects on the Liquid-Liquid Equilibrium Behavior of Pluronic L64 + Water + Sodium Salts at Different pH: Determination of Thermodynamic Parameters

Colloids and Interfaces, 2023
Two-phase aqueous systems have replaced and simplified steps in extraction and purification processes, especially for biocompounds. Thus, this study evaluated the liquid-liquid equilibrium behavior of Pluronic L64 + water + sodium salts at pH 5.0, 7.5 ...
Edson G. Monteiro-Junior, Josiel M. Costa, Otto A. Q. Jimenez, Bruno R. de Souza, Abimael C. Medeiros, Rodrigo C. Basso   +5 more
doaj   +1 more source

Infection Control Practices for Vascular Access Management in Hemodialysis: Results From a Nationwide Survey of Japanese National University Hospitals

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Introduction Bloodstream infections due to repeated vascular access (VA) puncture and circuit connections remain major concerns in hemodialysis. Therefore, we examined current practices for glove, disinfectant, and personal protective equipment (PPE) use according to VA type in national university hospitals in Japan.
Aiko Yamada, Makoto Harada, Tadahiko Kikugawa, Takeshi Nakata, Koji Hashimoto, Tsuneo Konta, Yuji Kamijo   +6 more
wiley   +1 more source

Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction [PDF]

, 2010
We report here density functional theory (DFT) studies (PBE) of the reaction intermediates and barriers involved in the oxygen reduction reaction (ORR) on a platinum fuel cell catalyst.
Goddard, William A., III, Liu, Yi, Merinov, Boris V., Sha, Yao, Yu, Ted H.   +4 more
core   +1 more source

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Effect of collagen-induced residual stress on the frictional property of articular cartilage

Biosurface and Biotribology, 2018
Previous findings, such as split-line of the articular cartilage surface and curving of sliced cartilage specimen, would suggest that residual stress is contained in articular cartilage.
Hiromichi Fujie, Sou Morishita, Seido Yarimitsu   +2 more
doaj   +1 more source

Site-Selective Solvation-Induced Conformational Switching of Heteroleptic Heteronuclear Tb(III) and Y(III) Trisphthalocyaninates for the Control of Their Magnetic Anisotropy

Molecules, 2023
In the present work, we report the synthesis of isomeric heteronuclear terbium(III) and yttrium(III) triple-decker phthalocyaninates [(BuO)8Pc]M[(BuO)8Pc]M*[(15C5)4Pc] (M = Tb, M* = Y or M = Y, M* = Tb, [(BuO)8Pc]2−–octa-n-butoxyphthalocyaninato-ligand, [
Alexander G. Martynov, Kirill P. Birin, Gayane A. Kirakosyan, Yulia G. Gorbunova, Aslan Yu. Tsivadze   +4 more
doaj   +1 more source

Ab initio molecular dynamics simulations of Aluminum solvation

, 1999
The solvation of Al and its hydrolyzed species in water clusters has been studied by means of ab initio molecular dynamics simulations. The hexa-hydrate aluminum ion formed a stable complex in the finite temperature cluster simulation of one aluminum ion
Benedict, Berg, Beyer, Bylaska, Car, Cheng, Cheng, De Almeida, De Santis, E.J. Bylaska, Hammann, J.H. Weare, Kleinman, Kubicki, Luz, M.I. Lubin, Marques, Martin, Martinez, Marx, Marx, Mei, Odutola, Perdew, Shepard, Sim, Teppen, Tuckerman, Vosko, Wasserman   +29 more
core   +1 more source