Search results for "Benzyl"
showing 10 items of 878 documents
A survey of clearing techniques for 3D imaging of tissues with special reference to connective tissue
2016
AbstractFor 3-dimensional (3D) imaging of a tissue, 3 methodological steps are essential and their successful application depends on specific characteristics of the type of tissue. The steps are 1° clearing of the opaque tissue to render it transparent for microscopy, 2° fluorescence labeling of the tissues and 3° 3D imaging. In the past decades, new methodologies were introduced for the clearing steps with their specific advantages and disadvantages. Most clearing techniques have been applied to the central nervous system and other organs that contain relatively low amounts of connective tissue including extracellular matrix. However, tissues that contain large amounts of extracellular mat…
2018
The origin of substrate preference in promiscuous enzymes was investigated by enzyme isotope labelling of the alcohol dehydrogenase from Geobacillus stearothermophilus (BsADH). At physiological temperature, protein dynamic coupling to the reaction coordinate was insignificant. However, the extent of dynamic coupling was highly substrate-dependent at lower temperatures. For benzyl alcohol, an enzyme isotope effect larger than unity was observed, whereas the enzyme isotope effect was close to unity for isopropanol. Frequency motion analysis on the transition states revealed that residues surrounding the active site undergo substantial displacement during catalysis for sterically bulky alcohol…
Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simu…
2021
Abstract The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid quantum mechanics/molecular mechanics (QM/MM), and QM/MM free energy calculations. The results show the reaction starts with the nucleophilic attack of the C2α atom of the HEThDP intermediate on the Cβ atom of the carbonyl group of benzaldehyde substrate via the formation of a transition state (TS1) with the HEThDP intermediate under 4′-aminopyrimidium (APH+) form. The calculated activation free energy for this step is 17.4 kcal mol−1 at 27 °C. From this point, the reaction continues with the abstraction of Hβ atom of the HEThDP in…
CCDC 726493: Experimental Crystal Structure Determination
2009
Related Article: B.R.D.Nayagam, S.R.Jebas, J.E.Rajkumar, D.Schollmeyer|2009|Acta Crystallogr.,Sect.E:Struct.Rep.Online|65|o917|doi:10.1107/S1600536809010794
CCDC 817434: Experimental Crystal Structure Determination
2011
Related Article: M.Giese, M.Albrecht, C.Bannwarth, G.Raabe, A.Valkonen, K.Rissanen|2011|Chem.Commun.|47|8542|doi:10.1039/c1cc12667a
CCDC 889877: Experimental Crystal Structure Determination
2012
Related Article: S.R.Jebas, P.Selvarathy Grace, B.Ravindran Durai Nayagam, D.Schollmeyer|2012|Acta Crystallogr.,Sect.E:Struct.Rep.Online|68|o2239|doi:10.1107/S1600536812028395
CCDC 1018185: Experimental Crystal Structure Determination
2015
Related Article: Nazar Pidlypnyi, Sebastian Wolf, Ming Liu, Kari Rissanen, Martin Nieger, Andreas Schmidt|2014|Tetrahedron|70|8672|doi:10.1016/j.tet.2014.09.035
CCDC 877279: Experimental Crystal Structure Determination
2012
Related Article: P.Selvarathy Grace, S.R.Jebas, B.Ravindran Durai Nayagam, D.Schollmeyer|2012|Acta Crystallogr.,Sect.E:Struct.Rep.Online|68|o1132|doi:10.1107/S1600536812010951
CCDC 1058314: Experimental Crystal Structure Determination
2015
Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053
CCDC 145655: Experimental Crystal Structure Determination
2000
Related Article: J.T.Kovalainen, E.Wegelius, J.A.M.Christiaans, J.Huuskonen, J.Gynther|2000|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|56|e216|doi:10.1107/S0108270100005291