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91.
92.
By using ab initio molecular dynamics calculations, we show that even where the graphene lattice constant contracts, as previously reported for freestanding graphene below room temperature, the average carbon-carbon distance increases with temperature, in both free and supported graphene. This results in a larger corrugation at higher temperature, which can affect the interaction between graphene and the supporting substrate. For a weakly interacting system as graphene/Ir(111), we confirm the results using an experimental approach which gives direct access to interatomic distances. 相似文献
93.
In this paper we obtain fixed point and common fixed point theorems for self- mappings defined on a metric-type space, an ordered metric-type space or a normal cone metric space. Moreover, some examples and an application to integral equations are given to illustrate the usability of the obtained results. 相似文献
94.
Monica Patriche 《Numerical Functional Analysis & Optimization》2014,35(7-9):1152-1173
We introduce new types of systems of generalized quasi-variational inequalities and we prove the existence of the solutions by using results of pair equilibrium existence for free abstract economies. We consider the fuzzy models and we also introduce the random free abstract economy and the random equilibrium pair. The existence of the solutions for the systems of quasi-variational inequalities comes as consequences of the existence of equilibrium pairs for the considered free abstract economies. 相似文献
95.
Brooks AJ Vlasie M Banerjee R Brunold TC 《Journal of the American Chemical Society》2004,126(26):8167-8180
Methylmalonyl-CoA mutase (MMCM) is an enzyme that utilizes the adenosylcobalamin (AdoCbl) cofactor to catalyze the rearrangement of methylmalonyl-CoA to succinyl-CoA. Despite many years of dedicated research, the mechanism by which MMCM and related AdoCbl-dependent enzymes accelerate the rate for homolytic cleavage of the cofactor's Co-C bond by approximately 12 orders of magnitude while avoiding potentially harmful side reactions remains one of the greatest subjects of debate among B(12) researchers. In this study, we have employed electronic absorption (Abs) and magnetic circular dichroism (MCD) spectroscopic techniques to probe cofactor/enzyme active site interactions in the Co(3+)Cbl "ground" state for MMCM reconstituted with both the native cofactor AdoCbl and its derivative methylcobalamin (MeCbl). In both cases, Abs and MCD spectra of the free and enzyme-bound cofactor are very similar, indicating that replacement of the intramolecular base 5,6-dimethylbenzimidazole (DMB) by a histidine residue from the enzyme active site has insignificant effects on the cofactor's electronic properties. Likewise, spectral perturbations associated with substrate (analogue) binding to holo-MMCM are minor, arguing against substrate-induced enzymatic Co-C bond activation. As compared to the AdoCbl data, however, Abs and MCD spectral changes for the sterically less constrained MeCbl cofactor upon binding to MMCM and treatment of holoenzyme with substrate (analogues) are much more substantial. Analysis of these changes within the framework of time-dependent density functional theory calculations provides uniquely detailed insight into the structural distortions imposed on the cofactor as the enzyme progresses through the reaction cycle. Together, our results indicate that, although the enzyme may serve to activate the cofactor in its Co(3+)Cbl ground state to a small degree, the dominant contribution to the enzymatic Co-C bond activation presumably comes through stabilization of the Co(2+)Cbl/Ado. post-homolysis products. 相似文献
96.
Jose Antonio Ayllon Monica Lira-Cantu 《Applied Physics A: Materials Science & Processing》2009,95(1):249-255
The effects of oxygen content in the sputtering gas on the crystallographic and optoelectronic properties of 210 nm-thick
Zr–doped In2O3 (Zr–In2O3) films by rf magnetron sputtering were initially studied. The results of X-ray diffraction show that the Zr–In2O3 films grown on glass substrates exhibit mixed crystallographic orientations. Moreover, the Zr–In2O3 film grown in an Ar atmosphere promotes the appearance of crystallographic orientation of (222). The surface of the Zr–In2O3 film becomes rougher as the oxygen content in the sputtering gas decreases; the current images obtained by conductive atomic
force microscopy reveal that the surfaces of the Zr–In2O3 films exhibit a distribution of coexisting conducting and nonconducting regions, and that the area of the nonconducting surface
increases with the oxygen content in the sputtering gas. The resistivity is minimized to 3.51×10−4 Ω cm when the Zr–In2O3 film is grown in an Ar atmosphere and the average transmittance in the visible light region is ∼85%. The optical band gap
decreases as the oxygen content in the sputtering gas increases. 相似文献
97.
Erik Ayala-Bribiesca Monica Araya-Farias Grald Pourcelly Laurent Bazinet 《Journal of membrane science》2006,280(1-2):790-801
The aim of this work was to study the effect of the concentrate solution pH and the composition in calcium, carbonate and protein of the diluate solution to be treated by conventional electrodialysis on the fouling of ion-exchange membranes. Conductivity, system resistance, pH of the diluate and cation migration were monitored to follow the evolution of the demineralization. Total cation migration was similar for all conditions although different forms of fouling were identified after three consecutive 100 min electrodialysis treatments. The nature of fouling and the membrane surface fouled depended on the concentrate pH value, the diluate mineral composition and the intrinsic composition of the whey isolate. Once conditions leading to membrane fouling were identified, an alternative configuration for our electrodialysis stack is proposed to prevent fouling onset. 相似文献
98.
The classic constitutive equation relating fluid flux to a gradient in potential (pressure head plus gravitational energy)
through a porous medium was discovered by Darcy in the mid 1800s. This law states that the flux is proportional to the pressure
gradient. However, the passage of the fluid through the porous matrix may cause a local variation of the permeability. For
example, the flow may perturb the porous formation by causing particle migration resulting in pore clogging or chemically
reacting with the medium to enlarge the pores or diminish the size of the pores. In order to adequately represent these phenomena,
we modify the constitutive equations by introducing a memory formalism operating on both the pressure gradient–flux and the
pressure–density variations. The memory formalism is then represented with fractional order derivatives. We perform a number
of laboratory experiments in uniformly packed columns where a constant pressure is applied on the lower boundary. Both homogeneous
and heterogeneous media of different characteristic particle size dimension were employed. The low value assumed by the memory
parameters, and in particular by the fractional order, demonstrates that memory is largely influencing the experiments. The
data and theory show how mechanical compaction can decrease permeability, and consequently flux. 相似文献
99.
The total synthesis of trifluoromethyl (Tfm) analogs of known nanomolar matrix metalloproteinases (MMPs) inhibitors has been performed. The synthetic protocol is based on a moderately stereoselective aldol reaction of trifluoropyruvate with an N-acyl-oxazolidin-2-thione for the construction of the core α-Tfm-malic unit. Both the diastereomeric forms of the target α-Tfm-malic hydroxamates showed micromolar inhibitory potency toward MMP-2 and 9, with a substantial drop with respect to the parent unfluorinated compounds. 相似文献
100.
Dr. David Benito‐Alifonso Shirley Tremel Bo Hou Harriet Lockyear Dr. Judith Mantell Prof. David J. Fermin Dr. Paul Verkade Dr. Monica Berry Dr. M. Carmen Galan 《Angewandte Chemie (International ed. in English)》2014,53(3):810-814
A series of glycan‐coated quantum dots were prepared to probe the effect of glycan presentation in intracellular localization in HeLa and SV40 epithelial cells. We show that glycan density mostly impacts on cell toxicity, whereas glycan type affects the cell uptake and intracellular localization. Moreover, we show that lactose can act as a “Trojan horse” on bi‐functionalized QDs to help intracellular delivery of other non‐internalizable glycan moieties and largely avoid the endosomal/lysosomal degradative pathway. 相似文献