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31.
Abstract The combined use of the nonlinear mapping method with correspondence factor analysis allowed to derive interesting structure-chemoreception relationships in Lepidoptera. A chemotaxonomy of insects based on their responses to pheromones was also proposed. 相似文献
32.
Marchand-Geneste N Cazaunau M Carpy AJ Laguerre M Porcher JM Devillers J 《SAR and QSAR in environmental research》2006,17(1):93-105
A model for rainbow trout (Oncorhynchus mykiss) estrogen receptor (rtERa) was built by homology with the human estrogen receptor (hERa). A high level of sequence conservation between the two receptors was found with 64% and 80% of identity and similarity, respectively. Selected endocrine disrupting chemicals were docked into the ligand binding domain (LBD) of rtERa and the corresponding free binding energies Delta(DeltaG(bind)) values were calculated. A Quantitative Structure-Activity Relationship (QSAR) model between the relative binding affinity data and the Delta(DeltaG(bind)) values was derived in order to predict which further organic pollutants are likely to bind to rtERa. 相似文献
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Relative Electrophilic Fluorinating Power as Assayed by Competitive Catalytic Halogenation Reactions
PatrickY. Toullec Ingrid Devillers Richard Frantz Antonio Togni 《Helvetica chimica acta》2004,87(10):2706-2711
Catalytic fluorination/chlorination competition experiments of β‐keto ester 5 were used to assess the relative fluorinating activity of various electrophilic N? F reagents (containing an N? F bond). Thus, in the halogenation reactions catalyzed by the [Ti(TADDOLato)] complex 1 (=bis(acetonitrile)dichloro[(4R,5R)‐2,2‐dimethyl‐α,α,α′,α′‐tetra(naphthalen‐1‐yl)‐1,3‐dioxolane‐4,5‐dimethanolato(2?)‐κO,κO′]titanium), the activity range of a series of commercially available reagents spans more than two orders of magnitude. SelectfluorTM (=1‐(chloromethyl)‐4‐fluoro‐1,4‐diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate); 9 ; also called F‐TEDA; TEDA=triethylenediamine) reacts more than 100 times faster than 1‐fluoropyridinium tetrafluoroborate. 相似文献
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Jean Devillers Martin Cornus Jacques Navech Jean-Grard Wolf 《Magnetic resonance in chemistry : MRC》1975,7(9):411-414
The 1H NMR spectrum of the 2-dimethylamino-3-methyl 1,3,2 oxazaarsolane is very sensitive to solvent and temperature. A complete analysis of the spectrum at ?48 °C in deuteriated toluene shows that the molecule exists in a preferred conformation in the C-4? C-5 region. The spectrum, corresponding to an A2X2 system in nitrobenzene at +31 °C, indicates free movement around that bond. At higher temperatures a new coalescence phenomenon is explained by inversion of the As atom. 相似文献
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Jean Devillers Jacques Navech Jean-Pierre Albrand 《Magnetic resonance in chemistry : MRC》1971,3(2):177-186
The 31P decoupled PMR spectra of the title oxazaphospholanes give rise to well resolved ABXY patterns. Among the eight possible solutions, six can be readily eliminated from chemical shifts considerations and the choice between the remaining two is based on tickling experiments. Good fits are observed between experimental and calculated spectra. The relative signs of the 3J(P? O? C? H) and 3J(P? N? C? H) coupling constants are given by tickling and Indor experiments. The ring conformation is discussed. 相似文献
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Pierre‐Loïc Jacquemin Dr. Koen Robeyns Prof. Dr. Michel Devillers Prof. Dr. Yann Garcia 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(18):6832-6845
N‐Salicylidene p‐aminobenzenesulfonate salts were prepared by in situ condensation of p‐aminobenzenesulfonate diallylammonium salt and salicylaldehyde. Modulation of thermo‐ and photochromism was achieved by varying the alkyl chain length of the diallylammonium counter‐cation. A structural–optical properties investigation reveals that both crystal packing and dihedral angle between aromatic rings of the N‐salicylidene aniline switch are not sufficient to predict the occurrence of photochromism in the solid state. The available free space around the N‐salicylidene p‐aminobenzenesulfonate, in addition to the flexibility of the nearby environment, is shown to be of major importance for the cis→trans isomerisation to occur as well as for the stabilisation of the trans‐keto form. Emergence of photochromic properties was determined from the diallylhexylammonium cation within the series of investigated counter‐cations. High stability is observed for the trans‐keto form of one polymorph of N‐salicylidene p‐aminobenzenesulfonate diallylhexylammonium salt (k=2.4×10?7 s?1). 相似文献