Results 101 to 110 of about 9,913,960 (313)

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

FEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages.

Journal of Chemical Theory and Computation, 2018
Alchemical free energy calculations are an increasingly important modern simulation technique to calculate free energy changes on binding or solvation.
Hannes H. Loeffler, S. Bosisio, Guilherme Duarte Ramos Matos, Donghyuk Suh, B. Roux, D. Mobley, J. Michel   +6 more
semanticscholar   +1 more source

The role of lipid metabolism in neuronal senescence

FEBS Open Bio, EarlyView.
Disrupted lipid metabolism, through alterations in lipid species or lipid droplet accumulation, can drive neuronal senescence. However, lipid dyshomeostasis can also occur alongside neuronal senescence, further amplifying tissue damage. Delineating how lipid‐induced senescence emerges in neurons and glial cells, and how it contributes to ageing and ...
Dikaia Tsagkari, Eleftheria Panagiotidou, Nektarios Tavernarakis   +2 more
wiley   +1 more source

Understanding bio‐based polymers: A study of origins, properties, biodegradation and their impact on health and the environment

FEBS Open Bio, EarlyView.
This review provides an overview of bio‐based polymer sources, their unique functional properties and their environmental impact, and addresses their role as sustainable alternatives. It discusses end‐of‐life options, including composting and anaerobic digestion for renewable energy.
Sabina Kolbl Repinc, Blaž Stres, Mirica Karlovits, Igor Karlovits, Petra Jerič, Ondrej Panák, Anja Verbič, Blaž Likozar, Uroš Novak   +8 more
wiley   +1 more source

Quantum Monte Carlo Simulation of the High-Pressure Molecular-Atomic Crossover in Fluid Hydrogen

, 2006
A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecular dynamics approaches.
Carlo Pierleoni, D. M. Ceperley, D. M. Ceperley, Kris T. Delaney, M. Dewing   +4 more
core   +1 more source

C2α‐carbanion‐protonating glutamate discloses tradeoffs between substrate accommodation and reaction rate in actinobacterial 2‐hydroxyacyl‐CoA lyase

FEBS Open Bio, EarlyView.
Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn, Barbara Seroka, Ryszard Lazny, Zenon Lotowski, Thore Rohwerder   +4 more
wiley   +1 more source

Radiation Magnetohydrodynamics Simulation of Proto-Stellar Collapse: Two-Component Molecular Outflow

, 2010
We perform a three-dimensional nested-grid radiation magneto-hydrodynamics (RMHD) simulation with self-gravity to study the early phase of the low-mass star formation process from a rotating molecular cloud core to a first adiabatic core just before the ...
Arce, Blandford, Dunham, Ferguson, Hayes, Krumholz, Machida, Machida, Masunaga, Offner, Saigo, Tomisaka, Truelove, Velusamy   +13 more
core   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

FEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei, Fredrik Orädd, Konstantinos Magkakis, Magnus Andersson   +3 more
wiley   +1 more source

Direct Molecular Simulation of Nonequilibrium Dilute Gases

Journal of thermophysics and heat transfer, 2017
This paper summarizes research performed over the past decade on the direct molecular simulation of dilute gas flows.
T. Schwartzentruber, Maninder S. Grover, P. Valentini   +2 more
semanticscholar   +1 more source

Promiscuous stimulation of HSP70 ATPase activity by parasite‐derived J‐domains

FEBS Open Bio, EarlyView.
The malaria parasite Plasmodium falciparum exports three highly homologous yet functionally divergent J‐domain proteins into human erythrocytes. Here, we show that J‐domains isolated from all three proteins effectively stimulate the ATPase activity of both endogenous host and exported parasite HSP70 chaperones.
Julian Barth, Moritz Koch, Le‐Han Rössner, Johanna Eichhorn, Denys Pogoryelov, Matthias P. Mayer, Jude M. Przyborski   +6 more
wiley   +1 more source