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1.
Specificity of Furanoside–Protein Recognition through Antibody Engineering and Molecular Modeling 下载免费PDF全文
Dr. Parnian Lak Spandana Makeneni Prof. Dr. Robert J. Woods Prof. Dr. Todd L. Lowary 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(3):1138-1148
Recognition of furanosides (five‐membered ring sugars) by proteins plays important roles in host–pathogen interactions. In comparison to their six‐membered ring counterparts (pyranosides), detailed studies of the molecular motifs involved in the recognition of furanosides by proteins are scarce. Here the first in‐depth molecular characterization of a furanoside–protein interaction system, between an antibody (CS‐35) and cell wall polysaccharides of mycobacteria, including the organism responsible for tuberculosis is reported. The approach was centered on the generation of the single chain variable fragment of CS‐35 and a rational library of its mutants. Investigating the interaction from various aspects revealed the structural motifs that govern the interaction, as well as the relative contribution of molecular forces involved in the recognition. The specificity of the recognition was shown to originate mainly from multiple CH–π interactions and, to a lesser degree, hydrogen bonds formed in critical distances and geometries. 相似文献
2.
Igor V. Mastikhin Aidin Arbabi Benedict Newling Abdelhaq Hamza Alexander Adair 《Experiments in fluids》2012,52(1):95-104
In acoustic cavitation, the relationship between the bubble dynamics on the microscale and the flow properties on the macroscale
is critical in determining sonochemical reaction kinetics. A new technique was developed to measure the void fraction and
estimate water mobility in the vicinity of cavitating bubbles using phase-encoded magnetic resonance imaging with short characteristic
measurement timescales (0.1–1 ms). The exponential behavior of the NMR signal decay indicated the fast diffusion regime, with
the relationship between local mechanical dispersion D
mix and the average bubble radius R,
Dmix >> \frac2R210-4s, D_{\rm mix}\gg \frac{2R^2}{10^{-4}\hbox{s}}, resulting in dispersion of orders of magnitude greater than diffusion in quiescent water. For two different samples (water
and a surfactant solution), the independent measurements of three-dimensional void fraction and velocity fields permitted
the calculation of compressibility, divergence and vorticity of the cavitating medium. The measured dynamics of the dissolved
gas, compared with that of the surrounding liquid, reflected the difference in the bubble coalescence and lifetimes and correlated
with the macroscopic flow parameters. 相似文献
3.
Saeid Zanganeh Amir Kajbafvala Navid Zanganeh Matin Sadat Mohajerani Aidin Lak M. R. Bayati H. R. Zargar S. K. Sadrnezhaad 《Applied Physics A: Materials Science & Processing》2010,99(1):317-321
A flower-like boehmite nanostructure was prepared through a template-free chemical route by the self-assembly process of nanosize
petals 800–1000 nm long, 200–250 nm wide, 20–50 nm thick and having an average crystallite size of about 2.21 nm. X-ray diffraction
analysis (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), DTA/TGA analyses and Brunauer–Emmet–Teller
(BET-N2) analyses were used in order to characterize the product obtained. XRD results exhibited that the obtained nanostructures
composed of pure orthorhombic AlOOH phase. The effects of Cl− ions and TEA on the growth of boehmite three-dimensional nanoarchitectures in the presence of
NO3-\mathrm{NO}_{3}^{-}
ions were investigated. BET analyses of as-prepared material demonstrate that this nanostructure material has a high specific
surface area, as high as 123 m2 g−1. 相似文献
4.
G. B. Lak E. Kuzmann M. El-Sharif C. U. Chisholm S. Stichleutner Z. Homonnay L. Sziráki 《Hyperfine Interactions》2013,218(1-3):145-150
Novel Sn–Ni–Fe ternary alloys were successfully deposited by pulse plating technique from an electrolyte based on sodium gluconate which acts as a complexing agent. XRD results revealed the predominantly amorphous character for the majority of the deposits. 57Fe and 119Sn conversion electron Mössbauer spectroscopy indicated the formation of a paramagnetic amorphous alloy using a short on-pulse duration and where the Fe content was less than 22 wt.%. Galvanostatic charge–discharge tests of the novel Sn-Ni-Fe deposits were carried out in a model Li-ion cell and indicated that the Sn-Ni-Fe alloys have potential as an electrode material. 相似文献
5.
Using Brownian dynamics (BD) simulations of FENE bead-spring models, the dynamics of star-branched polymers in dilute solutions under extensional flow have been investigated. Studies on star polymers in transient extensional flow reveal that the initial transient stress response at low strains is governed by both the number of arms and the shortest arm. On the other hand, the steady-state behavior of star polymers in elongational flow is limited by the maximum effective “contour” length of the molecules. The distribution of arm extension and birefringence of the star-branched molecule are broader and the mean is shifted to lower values, when compared to equivalent linear systems. As a result, the degree of arm extension at steady-state decreases as the number of arms in the star increases. Both an analysis of individual ensembles in Brownian dynamics simulations and a study of a simple force balance indicate that the constraint imposed on the star arms by the central branch point and contributions from “asymmetric” arm arrangements give rise to overall less extended and oriented star-branched molecules with broader arm extension and birefringence distributions. The results obtained from stress-conformation hysteresis simulation indicate that less-stretched arms exhibit more retarded relaxation, as the number of arms increases in star-branched molecules. The effect of excluded volume (EV) interactions, incorporated through the Lennard–Jones potential, on the dynamics of star polymers in extensional flow appears unimportant. 相似文献
6.
Choo‐Won Kim Margaret W. Frey Manuel Marquez Yong Lak Joo 《Journal of Polymer Science.Polymer Physics》2005,43(13):1673-1683
Cellulose nonwoven mats of submicron‐sized fibers (150 nm–500 nm in diameter) were obtained by electrospinning cellulose solutions. A solvent system based on lithium chloride (LiCl) and N,N‐dimethylacetamide (DMAc) was used, and the effects of (i) temperature of the collector, (ii) type of collector (aluminum mesh and cellulose filter media), and (iii) postspinning treatment, such as coagulation with water, on the morphology of electrospun fibers were investigated. The scanning electron microscopy (SEM) and X‐ray diffraction studies of as‐spun fibers at room temperature reveal that the morphology of cellulose fibers evolves with time due to moisture absorption and swelling caused by the residual salt and solvent. Although heating the collector greatly enhances the stability of the fiber morphology, the removal of salt by coagulation and DMAc by heating the collector was necessary for the fabrication of dry and stable cellulose fibers with limited moisture absorption and swelling. The presence and removal of the salt before and after coagulation have been identified by electron microprobe and X‐ray diffraction studies. When cellulose filter media is used as a collector, dry and stable fibers were obtained without the coagulation step, and the resulting electrospun fibers exhibit good adhesion to the filter media. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1673–1683, 2005 相似文献
7.
Microchimica Acta - Mit der turbidimetrischen Strychninnitrat-Methode für Phosphorspurenbestimmung nach der Version von Hegedüs und Dvorszky kann man nur dann ausgezeichnete... 相似文献
8.
Using Brownian dynamics simulations of wormlike chain bead-spring models, the dynamics of linear and star-branched polyelectrolyte molecules traveling through an array of entropic traps during electrophoresis have been investigated. First, the effectiveness of using coarse-grained bead-spring systems for linear molecules to model the electrophoretic process was demonstrated and compared to previous bead-rod (Kramers) chain simulations by Panwar and Kumar [Macromolecules 39, 1297 (2006)]. Second, the coarse-grained bead-spring model has been extended to investigate the effect of branching on the dynamics of molecules through the entropic trap array. Initial studies indicate the reduced mobility of star-branched molecules as compared to equivalent linear molecules. The radius of gyration of the polymer molecule appears to be the dominating factor governing the time scales encountered during traversal of the entropic trapping array. 相似文献
9.
[reaction: see text] 2'-Deoxy-2'-C-difluoromethylene-4'-thiocytidine (4) as a potential antitumor agent was synthesized starting from L-xylose via 2-deoxy-2-C-difluoromethylene-4-thiosugar as a key intermediate. An elimination product, 8, was always formed as the major product during removal of the protecting groups under acidic or basic conditions. However, utilizing neutral reaction conditions to remove the protecting groups afforded the desired product 4 exclusively. 相似文献
10.
Choi WJ Moon HR Kim HO Yoo BN Lee JA Shin DH Jeong LS 《The Journal of organic chemistry》2004,69(7):2634-2636
The preparative and stereoselective synthesis (45-50% overall yields) of the target compound 17 has been accomplished from D-ribose. The bulky protecting groups such as TBDPS and Trityl enforced the facial selectivity during Grignard reaction to give the tertiary beta-allylic alcohol 16 as the sole product, which was oxidatively rearranged to the key molecule 17 in excellent yield. 相似文献