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   Articles with "amide bond" as a keyword



Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing

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recommendations! Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26887

Abstract: Polypeptoids differ from polypeptides in that the amide bond can more frequently adopt both cis and trans conformations. The transition between the two conformations requires overcoming a large energy barrier, making it difficult for conventional… read more here.

Keywords: replica exchange; replica; simulation studies; amide bond ... See more keywords

Crystal structures reveal that the sterically hindered pivaloyl‐cisProlyl amide bond is energetically frustrated

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recommendations! Published in 2024 at "Peptide Science"

DOI: 10.1002/pep2.24337

Abstract: CisPro/transPro isomerism at the prolyl amide bond is a fundamental dynamism governing protein folding, structure, and functions. Since cisPro crystal structures are rare, the interactions influencing their structures are less understood, unlike transPro. Crystal data… read more here.

Keywords: pivaloyl cisprolyl; sterically hindered; amide bond; hindered pivaloyl ... See more keywords

Facile Amide Bond Formation with TCFH–NMI in an Organic Laboratory Course

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recommendations! Published in 2022 at "Journal of Chemical Education"

DOI: 10.1021/acs.jchemed.2c00760

Abstract: A new undergraduate organic laboratory experiment has been developed for amide bond formation between biorenewable 2-furoic acid and either of two substituted piperazines to prepare medicinally relevant amide products using a procedure with industrial significance.… read more here.

Keywords: amide bond; organic laboratory; bond formation;
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Visible Light-Induced Amide Bond Formation.

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recommendations! Published in 2019 at "Organic letters"

DOI: 10.1021/acs.orglett.9b03905

Abstract: A metal-, base-, and additive-free amide bond formation reaction was developed under an organic photoredox catalyst. This green approach showed excellent functional selectivity without affecting other functional groups such as alcohols, phenols, ethers, esters, halogens,… read more here.

Keywords: light induced; visible light; bond formation; amide bond ... See more keywords
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Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System

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recommendations! Published in 2020 at "ACS Catalysis"

DOI: 10.1021/acscatal.0c00929

Abstract: The biocatalytic synthesis of amides from carboxylic acids and primary amines in aqueous media can be achieved using the ATP-dependent amide bond synthetase McbA, via an adenylate intermediate, using only 1.5 equiv of the amine… read more here.

Keywords: biocatalytic synthesis; mcba; bond synthetase; acid ... See more keywords

How Does Silica Catalyze the Amide Bond Formation under Dry Conditions? Role of Specific Surface Silanol Pairs

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recommendations! Published in 2018 at "ACS Catalysis"

DOI: 10.1021/acscatal.7b03961

Abstract: The mechanism of the amide bond formation between nonactivated carboxylic acids and amines catalyzed by the surface of amorphous silica under dry conditions is elucidated by combining spectroscopic measurements and quantum chemical simulations. The results… read more here.

Keywords: dry conditions; bond formation; surface; formation ... See more keywords

Water-Tolerant and Atom Economical Amide Bond Formation by Metal-Substituted Polyoxometalate Catalysts

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recommendations! Published in 2019 at "ACS Catalysis"

DOI: 10.1021/acscatal.9b03415

Abstract: A simple, safe, and inexpensive amide bond formation directly from nonactivated carboxylic acids and free amines is presented in this work. Readily available Zr(IV)- and Hf(IV)-substituted polyoxometalates (POM) are shown to be catalysts for the… read more here.

Keywords: water tolerant; bond formation; amide bond;

Validation of Enthalpy–Entropy Compensation Mechanism in Partial Amide Bond Rotation

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recommendations! Published in 2020 at "ACS Omega"

DOI: 10.1021/acsomega.0c00332

Abstract: The concept of enthalpy–entropy compensation (EEC) is one of the highly debated areas of thermodynamics. The conformational change due to restricted double-bond rotation shows a classic two-site chemical exchange phenomenon and has been extensively studied.… read more here.

Keywords: entropy compensation; compensation; enthalpy entropy; amide bond ... See more keywords
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Direct Observation of Amide Bond Formation in a Plasmonic Nanocavity Triggered by Single Nanoparticle Collisions.

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recommendations! Published in 2021 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.1c02426

Abstract: The real-time observation of chemical bond formation at the single-molecule level is one of the great challenges in the fields of organic and biomolecular chemistry. Valuable information can be gleaned that is not accessible using… read more here.

Keywords: bond formation; plasmonic nanocavity; bond; formation ... See more keywords

Rate-Tunable, Metal-Mediated Amide Bond Cleavage for the Controlled Release of Pharmaceuticals

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recommendations! Published in 2025 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.5c13166

Abstract: That the incorporation of N-methyl amino acids adjacent to a hydrolytic, azamacrocyclic metal complex results in rate-tunable, metal-mediated amide bond cleavage (TMAC) under physiological conditions. Spectroscopic and crystallographic data provide unprecedented mechanistic insight: the Ga3+… read more here.

Keywords: rate; amide bond; metal; rate tunable ... See more keywords

Ni-Catalyzed Alkene Carboacylation via Amide C-N Bond Activation.

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recommendations! Published in 2017 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.7b06191

Abstract: We report Ni-catalyzed formal carboacylation of o-allylbenzamides with arylboronic acid pinacol esters. The reaction is triggered by oxidative addition of an activated amide C-N bond to a Ni(0) catalyst and proceeds via alkene insertion into… read more here.

Keywords: alkene carboacylation; carboacylation; bond; bond activation ... See more keywords