author = "Rovira i Virgili, Carme"
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Encontrado 10 documentos, página mostrada 1 de 1

Desxifrant mecanismes enzimàtics per mitjà d'eines computacionals: implicacions biotecnològiques en l'estudi de glicosidases

Description: El creixement de la glicòmica (camp anàleg al de la genòmica o la proteòmica però centrat en glicòsids) i el desenvolupament de tests de diagnòstic, vacunes i nous fàrmacs basats en carbohidrats es veuen afectats per la falta de mètodes eficients per a la seva producció. La síntesi enzimàtica, carac...
Language(s): Catalán

Enantioselective preparation of delta-valerolactones using horse liver alcohol dehydrogenase

Description: Horse liver alcohol dehydrogenase (HLADH) has been found to be a versatile biocatalyst for the desymmetrization of prochiral 3‐arylpentane‐1,5‐diols, based on a two‐step one‐pot oxidation. This procedure has allowed the formation of valuable (S)‐lactones in good to excellent conversions and enantiom...
Language(s): Inglés

Selective derivatization of N-terminal cysteines using cyclopentenediones

Description: The outcome of the Michael-type reaction between thiols and 2,2-disubstituted cyclopentenediones varies depending on the thiol. Stable compounds with two fused rings were formed upon reaction with 1,2-aminothiols (such as N-terminal cysteines in peptides). Other thiols gave reversibly Michael-type a...
Language(s): Inglés

First-principles study of the neutral molecular metal Ni(tmdt)2.

Description: The electronic structure of the molecular solid Ni(tmdt)2, the only well characterized neutral molecular metal to date, has been studied by means of first-principles density functional calculations. It is shown that these calculations correctly describe the metallic vs semiconducting behavior of mol...
Language(s): Inglés

Sequential uncaging with green light can be achieved by fine-tuning the structure of a dicyanocoumarin chromophore

Description: We report the synthesis and photochemical properties of a series of dicyanocoumarinylmethyl (DEAdcCM)- and dicyanocoumarinylethyl (DEAdcCE)-based photocages of carboxylic acids and amines with absorption maximum around 500 nm. Photolysis studies with green light have demonstrated that the structure ...
Language(s): Inglés

Can an alcohol act as an acid/base catalyst in water solution? An experimental and theoretical study of imidazole catalysis of the Morita-Baylis-Hillman reaction

Description: The formation of carbon−carbon sigma bonds by the organocatalyzed Morita−Baylis−Hillman (MBH) reaction constitutes a convenient method for the synthesis of valuable, highly functionalized molecules. Its large-scale implementation is however hampered both by its poor performance with substrates such ...
Language(s): Inglés

A β-mannannase with a lysozyme fold and a novel molecular catalytic mechanism

Description: The enzymatic cleavage of β-1,4-mannans is achieved by endo-β-1,4-mannanases, enzymes involved in germination of seeds and microbial hemicellulose degradation, and which have increasing industrial and consumer product applications. β-Mannanases occur in a range of families of the CAZy sequence-based...
Language(s): Inglés

Do Thiols Merely Passivate Gold Nanoclusters?

Description: A Comment on the Letter by H. Hakkinen, R. N. Barnett, and U. Landman, Phys. Rev. Lett. 82, 3264 (1999).
Language(s): Inglés

Redesigning the coumarin scaffold into small bright fluorophores with far-red to NIR emission and large Stokes' shifts useful for cell imaging

Description: Among the palette of previously described fluorescent organic molecules, coumarins are ideal candidates for developing cellular and molecular imaging tools due to their high cell permeability and minimal perturbation of living systems. However, blue-to-cyan fluorescence emission is usually difficult...
Language(s): Inglés

Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate

Description: Mannosidases catalyze the hydrolysis of a diverse range of polysaccharides and glycoconjugates, and the various sequence‐based mannosidase families have evolved ingenious strategies to overcome the stereoelectronic challenges of mannoside chemistry. Using a combination of computational chemistry, in...
Language(s): Inglés
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Encontrado 10 documentos, página mostrada 1 de 1

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