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排序方式: 共有160条查询结果,搜索用时 62 毫秒
11.
Banci L Bertini I Felli IC Sarrou J 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2005,172(2):191-200
CH(alpha) residual dipolar couplings (Deltardc's) were measured for the oxidized cytochrome b562 from Escherichia coli as a result of its partial self-orientation in high magnetic fields due to the anisotropy of the overall magnetic susceptibility tensor. Both the low spin iron (III) heme and the four-helix bundle fold contribute to the magnetic anisotropy tensor. CH(alpha) Deltardc's, which span a larger range than the analogous NH values (already available in the literature) sample large space variations at variance with NH Deltardc's, which are largely isooriented within alpha helices. The whole structure is now significantly refined with the chemical shift index and CH(alpha) Deltardc's. The latter are particularly useful also in defining the molecular magnetic anisotropy parameters. It is shown here that the backbone folding can be conveniently and accurately determined using backbone restraints only, which include NOEs, hydrogen bonds, residual dipolar couplings, pseudocontact shifts, and chemical shift index. All these restraints are easily and quickly determined from the backbone assignment. The calculated backbone structure is comparable to that obtained by using also side chain restraint. Furthermore, the structure obtained with backbone only restraints is, in its whole, very similar to that obtained with the complete set of restraints. The paramagnetism based restraints are shown to be absolutely relevant, especially for Deltardc's. 相似文献
12.
Bunch J Clench MR Richards DS 《Rapid communications in mass spectrometry : RCM》2004,18(24):3051-3060
Matrix-assisted laser desorption/ionisation (MALDI) quadrupole time-of-flight mass spectrometry (Q-TOFMS) has been used to detect and image the distribution of a xenobiotic substance in skin. Porcine epidermal tissue was treated with 'Nizoral', a medicated shampoo containing ketoconazole (+/-)-1-acetyl-4-[p-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine) as active ingredient. Following incubation for 1 h at 37 degrees C all excess formulation was washed from the surface. A cross-section of the drug-treated tissue was then blotted onto a cellulose membrane, precoated in matrix (alpha-cyano-4-hydroxycinnamic acid (CHCA)), by airspray deposition. In separate experiments the tissue surface was treated with Nizoral within a triangular former, and subsequently blotted onto a matrix-coated membrane. Sample membranes were then mounted into the recess of specialised MALDI targets with adhesive tape. All samples were analysed by MALDI-TOFMS using an Applied Biosystem 'Q-star Pulsar i' hybrid Q-TOF mass spectrometer fitted with an orthagonal MALDI ion source and imaging software. Detection of the protonated molecule was readily achievable by this technique. Treatment of the tissue within a template gave rise to images depicting the expected distribution of the drug, demonstrating that this technique is capable of producing spatially useful data. Ion images demonstrating the permeation of the applied compound into the skin were achieved by imaging a cross-sectional imprint of treated tissue. A calibration graph for the determination of ketoconazole was prepared using the sodium adduct of the matrix ion as an internal standard. This enabled construction of a quantitative profile of drug in skin. Conventional haematoxylin and eosin staining and microscopy methods were employed to obtain a histological image of the porcine epidermal tissue. Superimposing the mass spectrometric and histological images appeared to indicate drug permeation into the dermal tissue layer. 相似文献
13.
Ferreon JC Hamburger JB Hilser VJ 《Journal of the American Chemical Society》2004,126(40):12774-12775
Quantitative characterization of the stability of highly dynamic regions in proteins is a significant goal because it represents a cornerstone to an understanding of the role of dynamics in function. Due to experimental constraints, however, monitoring the local stability of highly dynamic regions using standard hydrogen exchange (HX) methods is not a viable approach. Here, an experimental strategy is outlined that takes advantage of the coupling between stability as monitored by HX and binding affinity as monitored by isothermal titration calorimetry. It is shown that the stability of dynamic regions, which are part of binding sites, can be inferred from the response of the system to Gly mutations at surface-exposed sites. When applied to the analysis of the highly dynamic RT loop of SEM5 C-terminal SH3 domain, this approach reveals that the energetic consequences of the observed conformational heterogeneity are significant. 相似文献
14.
Nadia Tagnaouti Sven Loebrich Frank Heisler Yvonne Pechmann Susanne Fehr Adèle De Arcangelis Elisabeth Georges-Labouesse Josephine C Adams Matthias Kneussel 《BMC neuroscience》2007,8(1):28
Background
The kelch repeat protein muskelin mediates cytoskeletal responses to the extracellular matrix protein thrombospondin 1, (TSP1), that is known to promote synaptogenesis in the central nervous system (CNS). Muskelin displays intracellular localization and affects cytoskeletal organization in adherent cells. Muskelin is expressed in adult brain and has been reported to bind the Cdk5 activator p39, which also facilitates the formation of functional synapses. Since little is known about muskelin in neuronal tissues, we here analysed the tissue distribution of muskelin in rodent brain and analysed its subcellular localization using cultured neurons from multiple life stages. 相似文献15.
Ho Yin Lo Jörg Bentzien Chuk C. Man Steven S. Pullen Josephine King John P. Wolak Gregory P. Roth 《Tetrahedron letters》2008,49(51):7337-7340
Based on information from molecular modeling, a series of 2-aminobenzimidazoles with pyrrole moieties were designed and synthesized as ITK antagonists. Results showed that a significant improvement of intrinsic and cell-based potency was achieved. X-ray crystallographic analysis of an inhibitor complex with ITK confirmed the prediction from the de novo design that the pyrrole moiety of the inhibitor would form an additional hydrogen bonding interaction with Glu436 in the catalytic domain, and hence improve overall binding affinity of the inhibitor. 相似文献
16.
Carter CL McLeod CW Bunch J 《Journal of the American Society for Mass Spectrometry》2011,22(11):1991-1998
Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is a valuable tool for the analysis of molecules
directly from tissue. Imaging of phospholipids is gaining widespread interest, particularly as these lipids have been implicated
in a variety of pathologic processes. Formalin fixation (FF) is the standard protocol used in histology laboratories worldwide
to preserve tissue for analysis, in order to aid in the diagnosis and prognosis of diseases. This study assesses MALDI imaging
of phospholipids directly in formalin fixed tissue, with a view to future analysis of archival tissue. This investigation
proves the viability of MALDI-MSI for studying the distribution of lipids directly in formalin fixed tissue, without any pretreatment
protocols. High quality molecular images for several phosphatidylcholine (PC) and sphingomyelin (SM) species are presented.
Images correspond well with previously published data for the analysis of lipids directly from freshly prepared tissue. Different
ionization pathways are observed when analyzing fixed tissue compared with fresh, and this change was found to be associated
with formalin buffers employed in fixation protocols. The ability to analyze lipids directly from formalin fixed tissue opens
up new doors in the investigation of disease profiles. Pathologic specimens taken for histologic investigation can be analyzed
by MALDI-MS to provide greater information on the involvement of lipids in diseased tissue. 相似文献
17.
The tropical convex hull of a finite set of points in tropical projective space has a natural structure of a cellular free
resolution. Therefore, methods from computational commutative algebra can be used to compute tropical convex hulls. Tropical
cyclic polytopes are also presented. 相似文献
18.
19.
Noncovalent Interactions of π Systems with Sulfur: The Atomic Chameleon of Molecular Recognition 下载免费PDF全文
Prof. William B. Motherwell Dr. Rafael B. Moreno Dr. Ilias Pavlakos Josephine R. T. Arendorf Dr. Tanzeel Arif Dr. Graham J. Tizzard Prof. Simon J. Coles Dr. Abil E. Aliev 《Angewandte Chemie (International ed. in English)》2018,57(5):1193-1198
The relative strength of noncovalent interactions between a thioether sulfur atom and various π systems in designed top pan molecular balances was determined by NMR spectroscopy. Compared to its oxygen counterpart, the sulfur atom displays a remarkable ability to interact with almost equal facility over the entire range of π systems studied, with the simple alkene emerging as the most powerful partner. With the exception of the O???heteroarene interaction, all noncovalent interactions of sulfur with π systems are favoured over oxygen. 相似文献
20.
Peter Huggins Bernd Sturmfels Josephine Yu Debbie S. Yuster. 《Mathematics of Computation》2008,77(263):1653-1679
The hyperdeterminant of format is a polynomial of degree in unknowns which has terms. We compute the Newton polytope of this polynomial and the secondary polytope of the -cube. The regular triangulations of the -cube are classified into -equivalence classes, one for each vertex of the Newton polytope. The -cube has coarsest regular subdivisions, one for each facet of the secondary polytope, but only of them come from the hyperdeterminant.