Uncategorized Archives - Page 80 of 156

Linker modulated peroxide electrosynthesis {using|utilizing|making use of|employing|working with|applying} metal-organic nanosheets

Chemexpress October 10, 2024 0 Comments

The electrochemical synthesis of hydrogen peroxide (H2O2), a {widely|extensively|broadly} {used|utilized|employed|utilised|applied|made use of} oxidant, is emerging as a green {alternative|option} {to the|towards the|for the} {conventional|standard|traditional} anthraquinone {method|technique|approach|strategy|system|process}. {In this|Within this} {work|function|perform|operate},…

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Electron Density Geometry and theQuantum Theory of Atoms in Molecules

Chemexpress October 10, 2024 0 Comments

A novel {form of|type of|kind of} charge density {analysis|evaluation}, that of isosurface curvature redistribution, is formulated and applied {to the|towards the|for the} toy {problem|issue|difficulty|dilemma|challenge|trouble} of carbonyl oxygen activation in formaldehyde.…

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Facile Polyolefin Plastics Hydrogenolysis Catalyzed by a Surface Electrophilic d0 Hydride

Chemexpress October 10, 2024 0 Comments

Polyolefins comprise {a major|a significant} fraction of single-use plastics and {yet|however|but} their catalyticdeconstruction/recycling has {proven|confirmed|verified|established} {challenging|difficult} {due to|because of|as a result of|on account of|resulting from|as a consequence of} their inert…

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Self-assembled ruthenium and osmium nanosystems {display|show} potent anticancer profile by interfering with metabolic activity

Chemexpress October 9, 2024 0 Comments

We disclose novel amphiphilic ruthenium and osmium complexes that auto-assemble into nanomedicines with potent antiproliferative activity by inhibition of mitochondrial respiration. The self-assembling units {were|had been|have been} rationally {designed|developed|created|made} {from…

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Revisiting the chevrel phase: {Impact|Influence|Effect} of dispersion corrections {on the|around the} properties of Mo6S8 for cathode applications

Chemexpress October 9, 2024 0 Comments

{While|Whilst|Although|Even though|When|Though} the Mo6S8 chevrel phase is {frequently|often|regularly} {used|utilized|employed|utilised|applied|made use of} as cathode material in Mg–ion batteries, theoretical {studies|research} on this material are comparatively scarce. The {particular|specific|certain|distinct|unique} structure {of the|from…

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Conformational Sampling and Polarization of Asp26 in pKa Calculations of Thioredoxin

Chemexpress October 9, 2024 0 Comments

Thioredoxin {is a|is really a|is actually a|can be a|is often a|is usually a} protein {that has|which has} been {used|utilized|employed|utilised|applied|made use of} as model {system|method|program|technique} by {various|numerous|different|a variety of|several|many} computational {methods|techniques|strategies|approaches|procedures|solutions}…

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Galaxy workflows for fragment-based virtual screening: a case study {on the|around the} SARS-CoV-2 {main|primary|principal|major|key|most important} protease

Chemexpress October 9, 2024 0 Comments

We present {several|a number of|numerous|many|various|quite a few} workflows for protein-ligand docking and {free|totally free|free of charge|cost-free|absolutely free|no cost} {energy|power} calculation for use {in the|within the|inside the} workflow management {system|method|program|technique} Galaxy.…

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Targeting the energy-coupling {factor|aspect|element|issue} (ECF) transporters: identification of new tool compounds

Chemexpress October 9, 2024 0 Comments

The energy-coupling {factor|aspect|element|issue} (ECF) transporters are a {family|family members|loved ones|household} of transmembrane proteins involved {in the|within the|inside the} uptake of vitamins {in a|inside a|within a} wide {range|variety} of bacteria. Inhibition…

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Buckling versus crystal expulsion controlled by deformation {rate|price} of particle-coated air bubbles in oil

Chemexpress October 9, 2024 0 Comments

Oil foams stabilized by crystallizing agents exhibit outstanding stability and show {promise|guarantee} for applications in {consumer|customer} {products|goods|items|merchandise|solutions}. The stability and mechanics imparted by the interfacial layer of crystals underpin {product|item|solution}…

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Modelling the structure and interactions of intrinsically disordered proteins with multiple-replica, metadynamics-based sampling {methods|techniques|strategies|approaches|procedures|solutions} and force-field combinations

Chemexpress October 8, 2024 0 Comments

Intrinsically disordered proteins (IDPs) play a {key|important|crucial|essential} {role|function|part} in {many|numerous|several|a lot of|quite a few|lots of} biological processes, {including|such as|which includes|like} the formation of biomolecular condensates {within|inside} cells. A detailed characterization…

Linker modulated peroxide electrosynthesis {using|utilizing|making use of|employing|working with|applying} metal-organic nanosheets

Electron Density Geometry and theQuantum Theory of Atoms in Molecules

Facile Polyolefin Plastics Hydrogenolysis Catalyzed by a Surface Electrophilic d0 Hydride

Self-assembled ruthenium and osmium nanosystems {display|show} potent anticancer profile by interfering with metabolic activity

Revisiting the chevrel phase: {Impact|Influence|Effect} of dispersion corrections {on the|around the} properties of Mo6S8 for cathode applications

Conformational Sampling and Polarization of Asp26 in pKa Calculations of Thioredoxin

Galaxy workflows for fragment-based virtual screening: a case study {on the|around the} SARS-CoV-2 {main|primary|principal|major|key|most important} protease

Targeting the energy-coupling {factor|aspect|element|issue} (ECF) transporters: identification of new tool compounds

Buckling versus crystal expulsion controlled by deformation {rate|price} of particle-coated air bubbles in oil

Modelling the structure and interactions of intrinsically disordered proteins with multiple-replica, metadynamics-based sampling {methods|techniques|strategies|approaches|procedures|solutions} and force-field combinations

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