hydrogen bonds in inorganic chemistry application to crystal design

... Saenger W (1991) Hydrogen Bonding in Biological Structure Springer, Berlin Steiner T & Koellner G (2001) Hydrogen bonds with p acceptors in proteins: Frequencies and role in stabilising local 3D ... SHBs in proteins In this section, we investigate the role of such hydrogen bonds in the context of protein tertiary structure and its function These short hydrogen bonds are found to occur in specific ... hydrogen bonds (SHBs) from a nonredundant dataset of 948 protein chains As the bond distances –between the proton donor (D) and the acceptor (A) atoms – of normal hydrogen bonds in ˚ ˚ proteins...

Ngày tải lên: 07/03/2014, 17:20

... conformation This invariable folding of Gln5 is related to the helix initiator propensity of Pro4 and decreases from Gln5 to Gly9 In methanol, the helical structures in the 4–8 domain increase with ... than SP (Table 1) Regarding the minor binding site NK-1m, SP and [Pro9]SP show a 10-fold increase in affinity compared to their affinity for the NK-1M binding site, with Ki in the subnanomolar range ... Chassaing, G (2001) Ca methylation in molecular recognition: application to substance P and the two neurokinin-1 receptor binding sites Eur J Biochem 268, 2997–3005 Wuthrich, K (1986) NMR of Proteins...

Ngày tải lên: 08/03/2014, 08:20

... determined from data obtained by changing the concentration of the linking intermediate and measuring the corresponding rates of the modules (i.e from module rates versus S data) Changes in the intermediate ... an effector would have to operate in order to produce a large change in a particular metabolic concentration or flux This is relevant for studying where a physiological activator or inhibitor would ... to obtain any value of ri manipulating the parameters in module i However, some ri values would result in unrealistic values of the concentration of the linking intermediate (S), e.g either too...

Ngày tải lên: 14/03/2014, 23:20

... and gain insight into the role of solvent hydrogen bonds in protein unfolding, we repeated these SMD simulations of force unfolding of the I27 protein in D2O The simulations were completed using ... used to probe the role of solvent hydrogen bonds in protein unfolding, collapse and folding However, protein unfolding and refolding are complex processes, potentially involving thousands of atoms ... force-clamp AFM to extend single (I27SÀS)8 polyproteins The constant force caused individual I27 proteins in the chain to unfold, resulting in stepwise increases in length of the molecule following each...

Ngày tải lên: 22/03/2014, 18:20

... strings may contain an exponential number of elements with respect to the length of those strings, building such an automaton may face combinatorial problems Our solution simply consists in randomly ... Second, analyzing the segmentation induced by analogical learning would be interesting Third, we need to address the problem of combining the translations produced by analogy into a front-end ... end -to- end discriminative approach to machine translation In 21st COLING and 44th ACL, pages 761–768, Sydney, Australia E Morin, B Daille, K Takeuchi, and K Kageura 2007 Bilingual terminology mining...

Ngày tải lên: 31/03/2014, 20:20

... Reaction Mechanisms of Inorganic and Organometallic Systems TOPICS IN INORGANIC CHEMISTRY A Series of Advanced Textbooks in Inorganic Chemistry Series Editor Peter C Ford, University of ... has resulted in substantial revisions to photochemical interpretations in Chapter The coverage of selected bioinorganic systems in Chapter has been extended to include methylcobalamin as a methyl ... and original references are given; outlines of answers to the problems will be supplied to instructors who request them from the author The issue of units continues to be a vexing one in this...

Ngày tải lên: 01/04/2014, 10:37

... remaining distance between the lines indicates that factor correction is most effective in removing the multiplicative between-session variation normalised Yni = 100 × Yni Yn1 ( Eq.1 ) Thus a single ... leads to loss of variance in the control condition ('c') and to added variation in the other conditions Standardisation (C) of this incomplete data set leads to increased variation, compared to ... use correction factors that can lead to ineffective correction or even to an increased variation within conditions For a correction method to be effective, the correction factors should be based...

Ngày tải lên: 13/08/2014, 09:21

... In addition to the monoadducts, there are a growing number of multimetallic complexes, of which some are illustrated in Fig 11.These can be subdivided into those that involve metals binding to ... shown next and involve the Ir and centers coordinating to adjacent double bonds No doubt the oxophilic Ir center is initially attracted to a double bond adjacent to the epoxide atom Internal Structure ... electronic or mechanical, including photocopy recording, or any information storage and retrieval system, without permission in writing from the publisher Academic Press, Inc 525 B Street Suite...

Ngày tải lên: 19/07/2016, 11:08

... missing in the index of α-line For example, in Fig 1.10a in the points of the α 123 -line, the liquid–vapor tie-lines are directed to vertex Let’s note that the α 123 -line is a line of intersection ... stationary points In contrast to the other residue curves, the separatrixes begin or come to an end, not in the node points but in the saddle points A characteristic feature of a separatrix is that in ... and (b) nonideal mixtures 1, operating line at in nite reflux 2, operating line at finite more minimum reflux; 3, operating line at minimum reflux; 4, equilibrium line; 5, composition of liquid and...

Ngày tải lên: 01/04/2014, 11:27

... These phases include the following activities: defining public concern, determining multiple issues, defining measurable indicators, and interpreting information on measured indicators to derive ... above investigation, integration is tentatively interpreted as an act or a process of joining or combining something with something else The integrated approach is a way of perceiving and solving ... feedback leads to divergent behaviour: indefinite expansion or explosion (a running away toward infinity) or total blocking of activities (a running away toward zero) Each plus involves another...

Ngày tải lên: 06/11/2012, 10:35

... fixed into bed, the pile can be compacting, filling Supporting is placed on the pile system, pillar is placed on the supporting Spacing Gate between pillars is from m to 40m depending to field ... into supporting pillar, beam supporting valve together with two pillars at both sides make faces against valve gate Beam supporting valve can be precasted on dry place, then, put together into ... are installed by crane laying on barge or one kind of beam plunge machine III.5 .Design works following pillar dam and its economic output - Phó Sinh sluice in Bạc Liêu province consists of automatic...

Ngày tải lên: 01/04/2013, 22:46

Ngày tải lên: 05/03/2014, 16:20

... reaction products (appearing in the nominator) and/or vanishing concentrations of the reaction substrates (appearing in the denominator), the concentration-dependent term in Eqn (5) may assume arbitrarily ... The remaining four reactions, displaying differing flux rates, belong to a segment of the reaction network comprising redundant routes This discrepancy points to another problem inherent in the ... maximal biomass production at a given total flux is obviously equivalent to maintaining a given rate of biomass production at a minimum of the total flux Insofar, the principle of maximal biomass production...

Ngày tải lên: 07/03/2014, 15:20

... ionophores The oxygen atoms that x-ray crystallography indicates to be primarily involved in liganding to cations are filled in In Inorganic Chemistry in Biology and Medicine; Martell, A.; ACS ... 6 In Inorganic Chemistry in Biology and Medicine; Martell, A.; ACS Symposium Series; American Chemical Society: Washington, DC, 1980 26 INORGANIC CHEMISTRY IN BIOLOGY AND MEDICINE of urea to ... test In Inorganic Chemistry in Biology and Medicine; Martell, A.; ACS Symposium Series; American Chemical Society: Washington, DC, 1980 30 INORGANIC CHEMISTRY IN BIOLOGY A N D MEDICINE hemoglobin...

Ngày tải lên: 15/03/2014, 04:20

... coefficients (BAC, defined as the total element concentration in shoots with respect to total element concentration in soil, both in mg kg(1) and accumulation factors (AF, defined as the total element ... pollutant-accumulating plants which are able to extract and translocate pollutants to the harvestable parts Phytoextraction can be divided in continuous phytoextraction (using hyperaccumulator plants) and induced ... largely influenced by the form and speciation of As AsIII is more mobile and more toxic than AsV Gaseous arsines are most toxic whereas arsenobetaine and arsenocholine (mainly found in marine organisms)...

Ngày tải lên: 15/03/2014, 23:49

... not only encouraged to modify them, but is given the tools to so Again, the idea is to empower the reader to incorporate existing higher-language code into macros, in order to increase the reach ... you are using.) Return to cell A3, then activate both cells (by depressing the left mouse button while pointing to A3, keeping it down while moving to cell A4, then releasing the button) Both ... ACOSH(1.5) ϭ0.962424 The inverse sine, arcsin, in radians: ASIN(0.5) ϭ0.523599 The inverse hyperbolic sine, arsinh, in radians: ASINH(0.5) ϭ0.481212 The inverse tangent, arctan, in radians: ATAN(0.5)...

Ngày tải lên: 17/03/2014, 02:20

... determining the beginnings of clauses is difficult in a single process because all features mentioned above are local information Therefore, the global information is also used to detect the beginning ... on quotations and inserted clauses to text formatting, such as text summarization References Taku Kudo and Yuji Matsumoto 2001 Chunking with support vector machines In Proceedings of the NAACL ... of 188 talks in the CSJ, which contain 6,255 quotations and 818 inserted clauses We used 20 talks for testing The test data included 643 quotations and 76 inserted clauses For training, we used...

Ngày tải lên: 23/03/2014, 18:20

... the index of the source (resp target) string generated up to the ith edit operation; and f ins ,f del ,and f sub are functions mapping to [0, 1].2 Context independence is not to be taken here to ... that needs to be generated at step i in order for the total yield, v(z1 ), to equal the string pair The RY stochastic model is similar to the one introduced earlier by Bahl and Jelinek (1975) ... a1 ; otherwise a2 is incremented by to point to the next symbol in the source string The end RV is an indicator of when we are past the end of both source and target strings (a > m and b > n)...

Ngày tải lên: 23/03/2014, 19:20