Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing
Sign Up to like & getrecommendations! 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
Facile Amide Bond Formation with TCFH–NMI in an Organic Laboratory Course
Sign Up to like & getrecommendations! 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;
Visible Light-Induced Amide Bond Formation.
Sign Up to like & getrecommendations! 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
Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System
Sign Up to like & getrecommendations! 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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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
Sign Up to like & getrecommendations! 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
Sign Up to like & getrecommendations! 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
Direct Observation of Amide Bond Formation in a Plasmonic Nanocavity Triggered by Single Nanoparticle Collisions.
Sign Up to like & getrecommendations! 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
Ni-Catalyzed Alkene Carboacylation via Amide C-N Bond Activation.
Sign Up to like & getrecommendations! 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
Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally Inverted Acyclic Amides.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b11309
Abstract: Since the seminal studies by Pauling in 1930s, planarity has become the defining characteristic of the amide bond. Planarity of amides has central implications for the reactivity and chemical properties of amides of relevance to… read more here.
Keywords: reversible twisting; bond; amides reversible; primary amides ... See more keywords
A versatile biosynthetic approach to amide bond formation
Sign Up to like & getrecommendations! Published in 2018 at "Green Chemistry"
DOI: 10.1039/c8gc01697f
Abstract: The development of versatile and sustainable catalytic strategies for amide bond formation is a major objective for the pharmaceutical sector and the wider chemical industry. Herein, we report a biocatalytic approach to amide synthesis which… read more here.
Keywords: approach amide; bond; bond formation; amide bond ... See more keywords