Putative dynamics of vasopressin in its V1a receptor binding site

The molecular architecture of the GPCRs, including the dynamic set of interactions between the receptor and the ligand, is one of the key structural questions of biophysical approaches. In the present study, molecular dynamics (MD) simulations were performed on the well-validated molecular model of the vasopressin V1a receptor applying different parameters (i.e., force fields, time variation, use of constraints) in order to sample the conformational space of the endogenous ligand arginine vasopressin (AVP), to explore different putative binding modes, and to analyze the simulation results with respect to experimental data. Noteworthy, it is to mention that for the first time a model of the vasopressin receptor remained stable in a 500 ps MD simulation run under vacuo boundary conditions using the Kollman all-atom FF even though no constraints were imposed. Conclusively, we determined an optimized experimental procedure for studying the dynamics and structure-functionship of this highly important family of GPCRs: the use of MD simulations with the Kollman all-atom force-field parameters on a constrained receptor. Our simplified model may be used as a basis for structure based design of new GPCR ligands and for in silico screening of virtual combinatorial chemistry libraries.     

中国国家图书馆二期暨国家数字图书馆

国家图书馆二期工程暨国家数字图书馆工程(以下简称新馆)位于北京市中关村路和新吴塔寺路交叉口,在原图书馆大楼的东侧,于2008年9月9日正式面向公众试运行.新图书馆包括书库区、阅览室和数字图书馆所需的全部功能.     

Influence of thermal treatment of rapeseed on the canolol content

4-Vinylsyringol, also referred to as canolol, is a highly active antioxidant and potent lipidperoxyl radical scavenger found in rapeseed. The canolol content of rapeseed can be increased through the decarboxylation of sinapic acid via roasting treatments. Different roasting conditions were tested and compared and an optimum for the canolol formation was found at 160 °C. The canolol content of the rapeseed samples with optimal roasting increased by a factor of 120 in relation to the unroasted sample. The rapeseed was ground, extracted and analysed by normal-phase HPLC/UV. The structure of canolol was confirmed by NMR and MS techniques. Several rapeseed oils were purchased in German food stores and analysed. No differences in canolol content were observed in both cold-pressed and rape kernel oil samples tested. Dehulled rapeseed samples demonstrated no significant difference in canolol content when compared to unpeeled rapeseed samples.     

博根-贝尔森集中营纪念馆新文献和信息中心

这是一个长200米,宽18米,舒展而且具有纪念性的建筑--博根-贝尔森集中营纪念馆的新文献和信息中心.这个两层的建筑于2007年10月竣工,建筑面积6 163平方米,建筑容积25 300立方米.形式严格遵循功能的需求,在Heidewald森林的中央,原集中营的旁边,就像一个动态延伸的可进入雕塑.它的特殊建筑体量,极少主义的单色建筑外墙,没有任何装饰,以及巨大的体量上极少的建筑表面起伏与开窗,使建筑形成了强有力而意义深刻的表情.在关押受害人的地方,它以其自信而不唐突的方式表达了一个符合国际标准的纳粹罪行文献和研究中心功能及其重要历史意义的新形式,并且符合设计任务的要求.     

法兰克福贸易会展中心

如今,一个标志性的弯曲形态指示着法兰克福贸易会展中心的入口,使其更加引人注目.包含宴会大厅在内的论坛是该贸易会展中心的核心区域,它轻盈的结构和通透的立面,与其后面的固定展厅厚重而巨大的体量形成清晰的对比.     

Beanspruchungsverhalten von PVD-CrN Beschichtungen auf Leichtmetallwerkstoffen

Behaviour of light metals with PVD-CrN coatings using different test methods The application of thin hard coatings on machining tools, e.g. drilling tools is state of the art. The increase of lifetime of coated Tools compared to uncoated tools is well known. [1]. In this context ?separation of functions”? is an often used phrase, by meaning the separation of functions of the volume and the surface of materials. Going one step forward, from the point of view of tribology or corrosion this means, you have ?only”? to protect the surface by using a ?good”? coating without looking at the material underneath. In the past the influence of substrate materials or the optimization of the system (substrate-coating) was not the main aim of PVD development. Looking at substrate and coating as a system is especially necessary, if the differences of the properties of substrate and coating are large (e.g. hard coating – light metals). This paper shows different aspect of the tribological and electrochemical characterization of PVD coated light metals (CrN coating).     

Quo Vadis, Research Education?

I read with chagrin Donald T. Campbell's (see record 1990-55812-001) comments on my article on the preparation of researchers in psychology. In "Thesis-Antithesis" (American Psychologist, 1966, 21, 781-787; see record 1967-00924-001), I examined some hidden assumptions upon which the thesis requirement rests and attempted to bring into relationship recent ideas in epistemology with earlier recommendations of the Education and Training Board. I suggested that if the future face of psychological investigations is to be more like search and less like research, we shall have to recapture and invest with meaning the personal qualities in the advisory relationship, often lost sight of under the pressure of academic requirements. I claimed that some degree requirements discourage the personal and professional evolution of the future generation of researchers. Campbell's criticism that I recommended the substitution of research assistantships for the thesis requirement leaves me feeling like the guest in a famous restaurant. The waiter wished to know how the guest would like his tournedos bordelaise. "A center cut and tenderloin portion, by all means, quite well done on the outside, then slightly pink, and, finally, seigneuse in the middle, not a very large portion, just right, with some gently braised mushrooms on the side, and only a touch of sauce," said the guest. The waiter nodded with approval, then turned into the kitchen with the usual refrain: "T-bone coming up." What can one do? (PsycINFO Database Record (c) 2010 APA, all rights reserved)