Results 41 to 50 of about 10,809,308 (293)

Hotspot auto-ignition induced detonation development: emphasis on energy density and chemical reactivity

open access: yes, 2021
Previous work shows that auto-ignition propagation modes for strong knocking in engines are dominated by both chemical reactivity and energy density.
Wei, Haiqiao   +5 more
core   +1 more source

Reconstructing enzyme evolution by protein engineering

open access: yesFEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler   +2 more
wiley   +1 more source

Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations

open access: yes, 2008
We present here a first principles density functional theory investigation of the reactivity of Pt(111)-skin catalysts, which are varied from surface alloys with Ni to bulk Pt(x)Ni(1-x) (x=0.25,0.50,0.75) alloys.
Su, Hai-Yan   +4 more
core   +1 more source

On statistical evaluation of reverse degree based topological indices for iron telluride networks

open access: yesScientific Reports
In the context of graph theory and chemical graph theory, this research conducts a detailed mathematical investigation of reverse topological indices as they relate to iron telluride networks, clarifying their complex interactions.
Maged Z. Youssef   +5 more
doaj   +1 more source

An epithelial GPR35 isoform supports tumor‐associated transcriptional and metabolic phenotypes

open access: yesFEBS Letters, EarlyView.
GPR35 generates two functionally distinct isoforms with previously unresolved roles. GPR35‐short mediates immune‐cell chemotaxis, while GPR35‐long is enriched in colorectal cancer epithelium, where it supports increased metabolism, proliferation, and tumor‐associated transcriptional programs.
Jørgen D. Rønneberg   +14 more
wiley   +1 more source

Loneliness, social support and cardiovascular reactivity to laboratory stress [PDF]

open access: yes, 2007
Self-reported or explicit loneliness and social support have been inconsistently associated with cardiovascular reactivity (CVR) to stress. The present study aimed to adapt an implicit measure of loneliness, and use it alongside the measures of explicit ...
Gidron, Y.Y.   +9 more
core   +1 more source

Information-Theoretic Perspectives on Chemical Problems: Recent Developments and Applications

open access: yesEntropy
Information-theoretic approach (ITA) has emerged as a powerful density-based framework for interpreting molecular structure, stability, and reactivity within density functional theory (DFT). By treating the electron density as a probability distribution,
Arpita Poddar, Pratim Kumar Chattaraj
doaj   +1 more source

Understanding Electronic Structure and Chemical Reactivity: Quantum-Information Perspective

open access: yesApplied Sciences, 2019
Several applications of quantum mechanics and information theory to chemical reactivity problems are presented with emphasis on equivalence of variational principles for the constrained minima of the system electronic energy and its kinetic energy ...
Roman F. Nalewajski
doaj   +1 more source

Reactivity of 4,5-Dichlorophthalic Anhydride towards Thiosemicarbazide and Amines: Synthesis, Spectroscopic Analysis, and DFT Study

open access: yesMolecules, 2022
The cyclic anhydrides are broadly employed in several fields, such as the chemical, plastic, agrochemical, and pharmaceutical industries. This study describes the chemical reactivity of 4,5-dichlorophthalic anhydride towards several nucleophiles ...
Hatem A. Abuelizz   +4 more
doaj   +1 more source

Discerning protein pools by selective staining with self‐labeling tags

open access: yesFEBS Letters, EarlyView.
Cell surface proteins have an intra‐ and extracellular pool. Combining genetic fusion to self‐labeling tags that can be addressed with small molecule fluorophores allows separating these pools. We highlight recent developments and techniques for state‐of‐the‐art interrogation of cell surface proteins in the complex tissue setting.
Kati Fischermanns, Johannes Broichhagen
wiley   +1 more source

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