Chemexpress, Author at Painslibrary

Amine-Catalyzed Copper-Mediated C–H Sulfonylation of Benzaldehydes {via|by way of|through|by means of} a Transient Imine Directing Group

Chemexpress February 11, 2025 0 Comments

Transient directing groups can {provide|offer|supply|give|present|deliver} a {powerful|potent|effective|strong|highly effective} {means|indicates|implies|signifies|suggests} for C–H functionalization to {install|set up} medicinally {valuable|beneficial|useful|worthwhile|precious|important} motifs {without|with out|without having|with no|devoid of|without the need of} requiring {additional|extra|further|added|more} {steps|actions|measures|methods} for…

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Multi-scale imaging of protein oxidation in mayonnaise

Chemexpress February 11, 2025 0 Comments

In mayonnaise, lipid and protein oxidation are closely {related|associated|connected} {and the|and also the|as well as the|along with the|plus the} interplay {between|in between|among|amongst|involving} them is {critical|crucial|vital|essential|important} for understanding the chemical shelf-life…

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Micellar Composition {Affects|Impacts} Lipid Accretion Kinetics in Molecular Dynamics Simulations

Chemexpress February 11, 2025 0 Comments

Mixed lipid micelles {were|had been|have been} proposed to facilitate the emergence of life {through|via|by means of|by way of} their documented {growth|development} dynamics and catalytic properties. Our {research|study|analysis|investigation} predicted that micellar…

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Syntheses and activities of indol-2-ylidene-ligated ruthenium-based olefin metathesis catalysts

Chemexpress February 10, 2025 0 Comments

{Here|Right here} we report {a new|a brand new} {family|family members|loved ones|household} of indol-2-ylidene (IdY)-ligated Ru-based olefin metathesis catalysts (Ru−IdY) and their X-ray crystal structures which show a {unique|distinctive|special|exclusive|exceptional|one of a…

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Based-Catalyzed Stereoselective Thiosulfonylation of Ynones

Chemexpress February 10, 2025 0 Comments

{The first|The very first|The initial} catalytic vicinal thiosulfonylation of ynones has been {developed|created}. {Under|Below|Beneath} the catalysis of 1-10 mol% Cs2CO3, {various|numerous|different|a variety of|several|many} thiosulfonates underwent Michael addition/nucleophilic substitution tandem reaction…

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Combining structural and bioactivity-based fingerprints improves prediction {performance|overall performance|efficiency|functionality} and scaffold-hopping capability

Chemexpress February 10, 2025 0 Comments

This study aims at {improving|enhancing} upon existingactivity predictions {methods|techniques|strategies|approaches|procedures|solutions} by augmenting chemical structure fingerprints withbio-activity {based|primarily based} fingerprints derived from high-throughput screening (HTS){data|information} (HTSFPs). The HTSFPs {were|had been|have been} generated…

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{Fast|Quick|Quickly|Rapidly|Rapid|Speedy} and {accurate|correct|precise} quantum mechanical modeling of {large|big|huge|massive|substantial|significant} molecular systems {using|utilizing|making use of|employing|working with|applying} {small|little|tiny|modest|smaller|compact} basis set Hartree–Fock {methods|techniques|strategies|approaches|procedures|solutions} corrected with atom-centered potentials

Chemexpress February 10, 2025 0 Comments

There has been {significant|substantial|considerable|important} interest in {developing|creating|building|establishing} {fast|quick|quickly|rapidly|rapid|speedy} and {accurate|correct|precise} quantum mechanical {methods|techniques|strategies|approaches|procedures|solutions} for modeling {large|big|huge|massive|substantial|significant} molecular systems. {In this|Within this} {work|function|perform|operate}, by {utilizing|using} a machine-learning regression {technique|method|approach|strategy}, {we have|we’ve|we’ve…

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{Small|Little|Tiny|Modest|Smaller|Compact} basis set density-functional theory {methods|techniques|strategies|approaches|procedures|solutions} corrected with atom-centered potentials

Chemexpress February 10, 2025 0 Comments

Density-functional theory (DFT) is {currently|presently|at present|at the moment} {the most|probably the most|essentially the most|one of the most|by far the most} {popular|well-liked|well-known|common|well known|preferred} {method|technique|approach|strategy|system|process} for modeling non-covalentinteractions and thermochemistry. The {accurate|correct|precise}…

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Arylation of Pharmaceutically Relevant Strained Rings {Using|Utilizing|Making use of|Employing|Working with|Applying} Electronically Tuned Redox-Active Esters

Chemexpress February 10, 2025 0 Comments

Strained rings are increasingly {important|essential|crucial|critical|significant|vital} for the {design|style|design and style} of pharmaceutical candidates {due to|because of|as a result of|on account of|resulting from|as a consequence of} their {improved|enhanced} pharmacokinetic and {safety|security}…

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Aryl Fluorosulfate-Based Inhibitors that Covalently Target the SIRT5 Lysine Deacylase

Chemexpress February 9, 2025 0 Comments

The sirtuin enzymes are a {family|family members|loved ones|household} of lysine deacylases that regulate gene transcription and metabolism. Sirtuin {5|five} (SIRT5) hydrolyzes malonyl, succinyl, and glutaryl epsilon‐N‐carboxyacyllysine posttranslational modifications and has…

Amine-Catalyzed Copper-Mediated C–H Sulfonylation of Benzaldehydes {via|by way of|through|by means of} a Transient Imine Directing Group

Multi-scale imaging of protein oxidation in mayonnaise

Micellar Composition {Affects|Impacts} Lipid Accretion Kinetics in Molecular Dynamics Simulations

Syntheses and activities of indol-2-ylidene-ligated ruthenium-based olefin metathesis catalysts

Based-Catalyzed Stereoselective Thiosulfonylation of Ynones

Combining structural and bioactivity-based fingerprints improves prediction {performance|overall performance|efficiency|functionality} and scaffold-hopping capability

{Small|Little|Tiny|Modest|Smaller|Compact} basis set density-functional theory {methods|techniques|strategies|approaches|procedures|solutions} corrected with atom-centered potentials

Arylation of Pharmaceutically Relevant Strained Rings {Using|Utilizing|Making use of|Employing|Working with|Applying} Electronically Tuned Redox-Active Esters

Aryl Fluorosulfate-Based Inhibitors that Covalently Target the SIRT5 Lysine Deacylase

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