Results 71 to 80 of about 3,274,048 (287)

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

Particle-resolved simulations of shock-induced flow through particle clouds at different Reynolds numbers

, 2020
This study investigates the Reynolds-number dependence of shock-induced flow through stationary particle clouds at 10% volume fraction, using ensemble-averaged results from three-dimensional particle-resolved large eddy simulations.
Osnes, Andreas Nygård, Omang, Marianne Gjestvold, Vartdal, Magnus, Reif, Bjørn Anders Pettersson   +3 more
core   +1 more source

Contribution of sulfuric acid and oxidized organic compounds to particle formation and growth [PDF]

, 2012
Lack of knowledge about the mechanisms underlying new particle formation and their subsequent growth is one of the main causes for the large uncertainty in estimating the radiative forcing of atmospheric aerosols in global models.
Curtius, Joachim, Ehrhart, Sebastian, A. Kürten, Rondo, L., Ehn, Mikael, Petäjä, Tuukka, E. Weingartner, Weingartner, Ernest, P. Barmet, Riccobono, F., Baltensperger, U., Dommen, Josef, M. Kulmala, F. Riccobono, Barmet, Peter, M. Ehn, Ehrhart, S., U. Baltensperger, Sipilä, Mikko, Kürten, Christoph Andreas, Baltensperger, Urs, Weingartner, E., M. Sipilä, S. Ehrhart, Dommen, J., Barmet, P., Curtius, J., Kuerten, A., J. Curtius, J. Mikkilä, Ehn, M., Kürten, Andreas, Paasonen, Pauli, P. Paasonen, J. Dommen, Rondo, Linda, L. Rondo, Riccobono, Francesco, Mikkilä, Jyri, T. Petäjä, Kulmala, Markku   +40 more
core   +2 more sources

Evaluation of particle size effect on two-phase flow distribution in a hydrotreatment reactor guard bed using particle-resolved CFD simulations

Chimica Techno Acta
Trickle bed reactors with solid catalyst pellets are important and widely used large-scale apparatuses in the chemical and oil refining industries. In order to reduce the effects of poisons on the catalyst bed and to extend the catalyst loading service ...
Ivan A. Mik, Oleg P. Klenov, Ivan S. Golubev, Pavel P. Dik, Sergey I. Reshetnikov, Alexandr S. Noskov   +5 more
doaj   +1 more source

Particle-resolved simulations of settling particles: a methodology for long time-integration intervals

Acta Mechanica
Abstract We present a methodology for simulating dilute suspensions of particles settling under gravity, with the main purpose of overcoming limitations of triply periodic configurations, mainly the strong vertical correlation that hinders the study of cluster dynamics.
Moriche, M., García-Villalba, M., Uhlmann, M.   +2 more
openaire   +2 more sources

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

Unbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of Trajectories. [PDF]

PLoS Computational Biology, 2016
The long-term goal of connecting scales in biological simulation can be facilitated by scale-agnostic methods. We demonstrate that the weighted ensemble (WE) strategy, initially developed for molecular simulations, applies effectively to spatially ...
Rory M Donovan, Jose-Juan Tapia, Devin P Sullivan, James R Faeder, Robert F Murphy, Markus Dittrich, Daniel M Zuckerman   +6 more
doaj   +1 more source

Malformin A1–mediated cytotoxicity in ovarian cancer cells occurs through pyroptosis and autophagy

FEBS Open Bio, EarlyView.
This study investigated the effects of the natural compound Malformin A1 (MA1) on the cytoskeleton that regulates cell proliferation and migration. Disruption of the cytoskeleton can impair these processes and promote cancer cell death. MA1 disrupted cytoskeletal organization, induced DNA damage, inflammation, activated autophagy, and pyroptosis ...
Nada Abdullah Hassan, Ikram A. Burney, Shika Hanif Malgundkar, Siva Ramamoorthy, Ressin Varghese, Mohamed A. Al‐Kindi, Hamad Al Riyami, Shadia Al Bahlani, Sergey Dobretsov, Syed Imran Hassan, Benjamin K. Tsang, Yahya Tamimi   +11 more
wiley   +1 more source

Liquid fluidization with cylindrical particles: Highly resolved simulations [PDF]

AIChE Journal, 2019
AbstractWe perform three‐dimensional, time‐dependent simulations of dense, fluidized suspensions of solid cylindrical particles in a Newtonian liquid in fully periodic domains. The resolution of the flow field is an order of magnitude finer than the diameter of the cylindrical particles.
openaire   +2 more sources

Structural studies and functional engineering of NanX: an anhydro‐sialic acid transporter from Escherichia coli

FEBS Open Bio, EarlyView.
Biophysical characterisation shows that NanX, a membrane transport protein from the major facilitator superfamily (MFS), forms both monomers and dimers after purification. AlphaFold modelling and substrate docking provide information on residues likely involved in substrate recognition for NanX and another MFS member, NanT.
Michael C. Newton‐Vesty, Kelsi R. Hall, Zachary D. Tillett, Liam S. Turk, James S. Davies, Michael J. Currie, Hamish G. Brown, Sepideh Valimehr, Peter D. Mace, Andrew E. Whitten, Santosh Panjikar, Eric Hanssen, Rachel A. North, Renwick C.J. Dobson   +13 more
wiley   +1 more source