Results 41 to 50 of about 11,397,539 (252)

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

Enhanced Chemical Reactivity of Graphene by Fermi Level Modulation

open access: yes, 2018
Among various approaches to modify the electronic and chemical properties of graphene, functionalization is one of the most facile ways to tailor these properties.
이혁진
core   +2 more sources

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

Partial depletion of plasminogen activator inhibitor‐1 decreases subcutaneous fat cell hypertrophy and liver cholesterol in high‐fat‐fed female mice

open access: yesFEBS Letters, EarlyView.
Obesity raises blood levels of PAI‐1, a protein linked to metabolic dysfunction‐associated steatotic liver disease in people with obesity. In female mice fed a high‐fat diet, partially lowering PAI‐1 led to smaller subcutaneous fat cells and lower liver cholesterol, without changing body weight or insulin sensitivity.
Claudia E. Ramirez Bustamante   +10 more
wiley   +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

Translophagy—A potential link between autophagy impairment and translational errors

open access: yesFEBS Letters, EarlyView.
Neurodegenerative diseases are characterised by the accumulation of abnormal proteins and protein aggregates, but their origin often remains unknown. We propose that selective autophagy removes damaged protein‐making machinery, preventing errors during protein synthesis.
Mykola V. Korolchuk   +11 more
wiley   +1 more source

Density Functional Theory Study on Chemical Reactivity of Aspirin: Substituent Effect

open access: yesمجلة بغداد للعلوم
There is strong evidence that thrombotic and inflammatory mechanisms play a role in COVID-19 severity. COVID-19 morality may be reduced by common drugs that block these pathways, such as Aspirin. New Aspirin derivatives were suggested by functionalizing
Halah T. Mohammed   +4 more
doaj   +1 more source

CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides

open access: yesMolecules, 2019
Virotoxins are monocyclic peptides formed by at least five different compounds: alaviroidin, viroisin, deoxoviroisin, viroidin and deoxovirodin. These are toxic peptides singularly found in Amanita virosa mushrooms.
Norma Flores-Holguín   +2 more
doaj   +1 more source

Chemical Reactivity through Structure-Stability Landscape

open access: yes, 2014
International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilicity, formulated on conceptual density functional theory can explain chemical reactivity of various acids and bases, oxidants and reductants as well as ...
Das, Ranjita   +2 more
core   +1 more source

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