Results 21 to 30 of about 127,504 (265)
Advanced Science, 2019 For selective hydrogenation of chemicals the high selectivity is always at the expense of activity and improving both selectivity and activity is challenging.
Ruijie Gao +6 more
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STERIC EFFECT IN DIFLUORINEALCANE MOLECULES [PDF]
Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials, 2019 Fifteen conformers of the CHF2 – (CH2)6 – CH3 molecule were found. Within a «quantum theory of atoms in molecules», their equilibrium geometry, total energies and the electron structure were studied. Analysis and comparison of electron parameters revealed in some structures a steric effect from CHF2.
A.V. Kotomkin +3 more
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Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions
Computational and Mathematical Biophysics, 2017 We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation efects in electrolyte solutions.
Liu Jinn-Liang +2 more
doaj +1 more source
Sea-level trend variability in the Mediterranean during the 1993–2019 period
Frontiers in Marine Science, 2023 Sea-level change is one of the most concerning climate change and global warming consequences, especially impacting coastal societies and environments. The spatial and temporal variability of sea level is neither linear nor globally uniform, especially ...
Matteo Meli +5 more
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FEBS Letters, EarlyView.Plasma membranes contain dynamic nanoscale domains that organize lipids and receptors. Because viruses operate at similar scales, this architecture shapes early infection steps, including attachment, receptor engagement, and entry. Using influenza A virus and HIV‐1 as examples, we highlight how receptor nanoclusters, multivalent glycan interactions ...
Jan Schlegel, Christian Sieben
wiley +1 more source
Interpreting the effects of DNA polymerase variants at the structural level
Molecular Oncology, EarlyView.Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi +7 more
wiley +1 more source
Topological Steric Effect Index and Its Application. [PDF]
ChemInform, 2004 This paper proposed a Topological Steric Effect Index (TSEI) of a group based on the relative specific volume of the reaction center screened by the atoms of the substituents. Investigated results show good correlations between the parameter TSEI and the dihedral angles between both phenyl rings determined by photoelectron spectroscopy for 7 ...
Chenzhong Cao, Li Liu
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Molecular Oncology, EarlyView.The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka +9 more
wiley +1 more source
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 +3 more
wiley +1 more source
Steric Effects Govern the Photoactivation of Phytochromes
ChemPhysChem, 2016 AbstractPhytochromes constitute a superfamily of photoreceptor proteins existing in two forms that absorb red (Pr) and far‐red (Pfr) light. Although it is well‐known that the conversion of Pr into Pfr (the biologically active form) is triggered by a Z→E photoisomerization of the linear tetrapyrrole chromophore, direct evidence is scarce as to why this ...
Olle Falklöf, Bo Durbeej
openaire +4 more sources