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排序方式: 共有75条查询结果,搜索用时 156 毫秒
1.
Esperanza Salfrn Carlos Seoaneb Margarita Surez Yamila Verdecia Amaury Alvarez Estael Ochoa Roberto Martínez‐Alvarez Nazario Martín 《Journal of heterocyclic chemistry》2004,41(4):509-516
Novel 4‐amino‐6‐aryl‐2‐phenylpyrimidine‐5‐carbonitriles have been prepared in one step procedure from the readily available 4‐aryl‐2‐amino‐3‐cyano‐5,6,7,8‐tetrahydro‐7,7‐dimethyl‐5‐oxo‐4H‐benzopyrans. The mass spectroscopy study under EI conditions shows molecular peaks with high intensity corresponding to the loss of benzonitrile from the C2 position of the pyrimidine ring. Semiempirical (AMI and PM3) and ab initio HF/6–31G* calculations reveal a favored distorted geometry where the three rings are not in the same plane. 相似文献
2.
Nathalie Azaroual Jamal El Bakali Delphine Le Broc Carole Deghaye Amaury Farce Philippe Chavatte Régis Millet Claude Vaccher Emmanuelle Lipka-Belloli 《Journal of inclusion phenomena and macrocyclic chemistry》2014,78(1-4):265-274
Three selective CB2 cannabinoid receptor ligands have recently been discovered to be promising anti-inflammatory agents but their low water solubility hinder their per os administration. The popularity of the cyclodextrins, from a pharmaceutical standpoint lies on their ability to interact with poorly water-soluble drugs and improve their solubility. Herein, three experimental approaches for calculating the stability constant of complexes between the selective CB2 ligands and either the β-CD or the HP-β-CD, were tested: nuclear magnetic resonance, micellar electrokinetic chromatography and high performance liquid chromatography in reversed phase. In NMR studies the calculated K values were relatively high and were between 1486 and 3571 M?1 with β-CD. With HP-β-CD they were between 1203 and 2650 M?1. Concerning the two others techniques the K values were found lower. In MECK studies with β-CD they were between 308 and 792 M?1 and with HP-β-CD between 124 and 764 M?1. Finally in RP-HPLC studies with β-CD, they were between 539 and 1144 M?1 and with HP-β-CD between 196 and 396 M?1. These calculated constants suggest that a complexation phenomenon occurs. A model for inclusion of one of the CB2 ligands in the β-CD was then proposed from molecular modeling studies. 相似文献
3.
On a Comparative Study on Some Trigonometric Classes of Distributions by the Analysis of Practical Data Sets 下载免费PDF全文
The aim of this paper is twofold. Firstly, we elaborate and investigate a new trigonometric class of distribution, called the type II Tan-G class. Secondly, we perform a practical comparative evaluation of certain trigonometric classes; the Sin-G, Cos-G, Tan-G classes and the new one, with each other and with their common baseline distribution. More specifically, the usefulness and flexibility of these trigonometric classes are demonstrated through twelve practical data sets, by using the Weibull distribution as baseline. Among the data sets, two of them concern the Covid-19 pandemic in France from March to June 2020. As main results, it is shown that the related trigonometric models can outperform the former Weibull model in various cases and that the proposed type II Tan Weibull model can be, in certain situations, the best of them. The main lines of the code written in the \textsf{R} software language are provided. 相似文献
4.
Hazan V Sennema A Faulkner A Ortega-Llebaria M Iba M Chunge H 《The Journal of the Acoustical Society of America》2006,119(3):1740-1751
This study assessed the extent to which second-language learners are sensitive to phonetic information contained in visual cues when identifying a non-native phonemic contrast. In experiment 1, Spanish and Japanese learners of English were tested on their perception of a labial/ labiodental consonant contrast in audio (A), visual (V), and audio-visual (AV) modalities. Spanish students showed better performance overall, and much greater sensitivity to visual cues than Japanese students. Both learner groups achieved higher scores in the AV than in the A test condition, thus showing evidence of audio-visual benefit. Experiment 2 examined the perception of the less visually-salient /1/-/r/ contrast in Japanese and Korean learners of English. Korean learners obtained much higher scores in auditory and audio-visual conditions than in the visual condition, while Japanese learners generally performed poorly in both modalities. Neither group showed evidence of audio-visual benefit. These results show the impact of the language background of the learner and visual salience of the contrast on the use of visual cues for a non-native contrast. Significant correlations between scores in the auditory and visual conditions suggest that increasing auditory proficiency in identifying a non-native contrast is linked with an increasing proficiency in using visual cues to the contrast. 相似文献
5.
Marie Chavent Vanessa Kuentz-Simonet Amaury Labenne Jérôme Saracco 《Computational Statistics》2018,33(4):1799-1822
In this paper, we propose a Ward-like hierarchical clustering algorithm including spatial/geographical constraints. Two dissimilarity matrices \(D_0\) and \(D_1\) are inputted, along with a mixing parameter \(\alpha \in [0,1]\). The dissimilarities can be non-Euclidean and the weights of the observations can be non-uniform. The first matrix gives the dissimilarities in the “feature space” and the second matrix gives the dissimilarities in the “constraint space”. The criterion minimized at each stage is a convex combination of the homogeneity criterion calculated with \(D_0\) and the homogeneity criterion calculated with \(D_1\). The idea is then to determine a value of \(\alpha \) which increases the spatial contiguity without deteriorating too much the quality of the solution based on the variables of interest i.e. those of the feature space. This procedure is illustrated on a real dataset using the R package ClustGeo. 相似文献
6.
Jason P. Holland Melanie Gut Simon Klingler Rachael Fay Amaury Guillou 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(1):33-48
The ability to modify biologically active molecules such as antibodies with drug molecules, fluorophores or radionuclides is crucial in drug discovery and target identification. Classic chemistry used for protein functionalisation relies almost exclusively on thermochemically mediated reactions. Our recent experiments have begun to explore the use of photochemistry to effect rapid and efficient protein functionalisation. This article introduces some of the principles and objectives of using photochemically activated reagents for protein ligation. The concept of simultaneous photoradiosynthesis of radiolabelled antibodies for use in molecular imaging is introduced as a working example. Notably, the goal of producing functionalised proteins in the absence of pre-association (non-covalent ligand-protein binding) introduces requirements that are distinct from the more regular use of photoactive groups in photoaffinity labelling. With this in mind, the chemistry of thirteen different classes of photoactivatable reagents that react through the formation of intermediate carbenes, electrophiles, dienes, or radicals, is assessed. 相似文献
7.
Christina Heroven Victoria Georgi Gaurav K. Ganotra Prof. Paul Brennan Finn Wolfreys Prof. Dr. Rebecca C. Wade Amaury E. Fernández‐Montalván Apirat Chaikuad Prof. Dr. Stefan Knapp 《Angewandte Chemie (International ed. in English)》2018,57(24):7220-7224
Prolonged drug residence times may result in longer‐lasting drug efficacy, improved pharmacodynamic properties, and “kinetic selectivity” over off‐targets with high drug dissociation rates. However, few strategies have been elaborated to rationally modulate drug residence time and thereby to integrate this key property into the drug development process. Herein, we show that the interaction between a halogen moiety on an inhibitor and an aromatic residue in the target protein can significantly increase inhibitor residence time. By using the interaction of the serine/threonine kinase haspin with 5‐iodotubercidin (5‐iTU) derivatives as a model for an archetypal active‐state (type I) kinase–inhibitor binding mode, we demonstrate that inhibitor residence times markedly increase with the size and polarizability of the halogen atom. The halogen–aromatic π interactions in the haspin–inhibitor complexes were characterized by means of kinetic, thermodynamic, and structural measurements along with binding‐energy calculations. 相似文献
8.
9.
Dubois M Becher F Herbet A Ezan E 《Rapid communications in mass spectrometry : RCM》2007,21(3):352-358
In order to increase the sensitivity of liquid chromatography/mass spectrometry (LC/MS) assays of recombinant proteins for pharmacokinetics studies, we have developed an immuno-mass spectrometry assay for EPI-hNE4, a 6237 Da protein currently developed for respiratory distress syndromes. After immunocapture of the analyte in human plasma with magnetic beads coated with anti-EPI-hNE4 antibodies, the intact protein was eluted and separated in reversed-phase LC and then analysed by tandem mass spectrometry (MS/MS) in selected reaction monitoring (SRM) mode. The problem of analytical interference due to endogenous binding antibodies was addressed by successive steps of acidification and neutralisation before immunocapture. Furthermore, potential variations in the recovery of analyte during sample extraction were compensated for by addition of an internal standard recognised by the antibodies. The precision of the assay remained therefore below 15%. A significant increase in assay sensitivity was achieved since the extraction step allowed sample concentration and removal of matrix components interfering with the electrospray ionisation process. Using 0.4 mL of plasma, a limit of quantification at 0.5 ng/mL (80 pM) was reached, which represents a 10-fold improvement in sensitivity over our previous work using sample precipitation. This technique was able to monitor EPI-hNE4 kinetics in the plasma of human subjects for 36 h after an intravenous administration of 0.125 mg/kg. 相似文献
10.
We analyse one-loop radiative corrections to the inflationary potential in the theory, where inflation is driven by the Standard Model Higgs field. We show that inflation is possible provided the Higgs mass mH lies in the interval mmin<mH<mmax, where mmin=[136.7+(mt−171.2)×1.95] GeV, mmax=[184.5+(mt−171.2)×0.5] GeV and mt is the mass of the top quark. In the renormalization scheme associated with the Einstein frame the predictions of the spectral index of scalar fluctuations and of the tensor-to-scalar ratio practically do not depend on the Higgs mass within the admitted region and are equal to ns=0.97 and r=0.0034 correspondingly. 相似文献