caa a22 4500 469072474 CHVBK 20180323132925.0 cr unu---uuuuu 170328e19920401xx s 000 0 eng 10.1007/BF00671810 doi (NATIONALLICENCE)springer-10.1007/BF00671810 Modeling chemoadaptive behavior: X-ray structure of the trimethylamine oxide-urea (1∶4) complex [Elektronische Daten] [Uffe Anthoni, Carsten Christophersen, Michael Gajhede, Per Nielsen] The structure of a trimethylamine oxide (TMAO)-urea 1∶4 complex was investigated by x-ray crystallographic methods. C3H9NO, 4CH4N2O, Mr=315.33, monoclinic P21/n, a=11.004(2), b=9.8259, c=15.419(2),Β=106.88(4)‡, V=1595.4(2) å3, Z=4, Dx=1.313(1) g cm−3, monochromatized Cu λα (λ=1.5418 å),Μ=8.94 cm−1, F(OOO)=680, temperature = 110‡K, final R=0.067, for 1786 unique observed reflections. Based on these studies and comparison with related compounds a model of the interaction of urea and TMAO with proteins, especially enzymes, is proposed. This is important in the physiology of many organisms, especially elasmobranchs. The counteracting effect of TMAO on urea perturbation of protein structure and function is interpreted in terms of water structure as a balance between the structure breaking effect of urea and the structure-stabilizing effect of TMAO. Plenum Publishing Corporation, 1992 Anthoni Uffe Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut Christophersen Carsten Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut Gajhede Michael Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut Nielsen Per Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut Structural Chemistry Kluwer Academic Publishers 3/2(1992-04-01), 121-128 1040-0400 3:2<121 1992 3 11224 https://doi.org/10.1007/BF00671810 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00671810 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Anthoni Uffe Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut NATIONALLICENCE 700 1- Christophersen Carsten Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut NATIONALLICENCE 700 1- Gajhede Michael Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut NATIONALLICENCE 700 1- Nielsen Per Chemical Institute, H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark aut NATIONALLICENCE 773 0- Structural Chemistry Kluwer Academic Publishers 3/2(1992-04-01), 121-128 1040-0400 3:2<121 1992 3 11224 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer