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71.
Dave K Scozzafava A Vullo D Supuran CT Ilies MA 《Organic & biomolecular chemistry》2011,9(8):2790-2800
A series of positively-charged derivatives has been prepared by reaction of histamine with substituted pyrylium salts. These pyridinium histamine derivatives were investigated as activators of the zinc enzyme carbonic anhydrase (CA, EC 4.2.1.1) and more precisely the human isoforms hCA I, II and VII. Activities from the subnanomolar to the micromolar range were detected for these compounds as activators of the three isoforms, confirming the validity of current and previous designs. The substitution pattern at the pyridinium ring was the main factor influencing activity, the three isoforms showing different structural requirements for good activity, related with the number of pyridinium substituting groups and their nature, among various alkyl, phenyl and para-substituted styryl moieties. We were successful in identifying nanomolar potent and selective activators for each isozyme and also activators with a relatively good activity against all isozymes tested--valuable lead compounds for physiology and pathology studies involving these isozymes. 相似文献
72.
We present an overview of developments using the nonresonant dynamic Stark effect within the fields of time-resolved molecular dynamics and quantum control, drawing on examples from our own recent work. Particular emphasis is placed on the notion that "dynamics" and "control" are not distinct disciplines and that a clear synergy exits between these areas which has, up to now, been somewhat underexploited. The dynamic Stark effect is a universal interaction which we expect to have broad applicability. 相似文献
73.
Carlo Massobrio;Irene Amiehe Essomba;Mauro Boero;Cheick Diarra;Mohammed Guerboub;Kana Ishisone;Achille Lambrecht;Evelyne Martin;Icare Morrot-Woisard;Guido Ori;Christine Tugène;Steve Dave Wansi Wendji; 《physica status solidi b》2024,261(1):2300209
This article has to be intended both as a review and as an historical tribute to the ideas developed almost 40 years ago by S. Nosé, establishing the theoretical foundations of the implementation and use of thermostats in molecular dynamics (MDs). The original motivation of this work is enriched by an observation related to the connection between the Nosé seminal expression of temperature control and the extension proposed in 1985 by W. G. Hoover, known as the Nosé–Hoover thermostat. By carefully rederiving the equations of motion in both formalisms, it appears that all features of Nosé–Hoover framework (replacement of the Nosé variables by a single friction coefficient in the equations of motion) are already built in the Nosé approach. Therefore, one is able to work directly within the Nosé formalism with the addition of a single variable only, by greatly extending its general impact and simplicity and somewhat making redundant the Nosé–Hoover extension. Having been implicitly (and somewhat inadvertently) put to good use by a multitude of users over the past 40 years (in the context of classical and first-principles MDs), this finding does not need any specific application to be assessed. 相似文献
74.
查询号:190 引言 手持信息家电中彩色LCD显示的出现引发了对微型、明亮的白色背景照明的需求。幸运的是最近商品化的高亮度白色LED能提供理想的解决方案。这些微型LED能提供充足的白色光而没有脆度问题和通常用在笔记本计算机中的荧光背景照明有关的成本问题、然而,它们却有一个问题白色LED的正向电压可高达4V,这不能直接用单节锂离子电池为它们供电。 本文描述了升压和调节锂离子电池电压为白色LED供电的几种不同电路。这些电路能为驱动多个白色LED提供足够的功率并且足够小,适合于蜂窝电话和掌上计算机应用。 … 相似文献
75.
Hiroshi Shinotsuka Shigeo Tanuma Cedric J. Powell Dave R. Penn 《Surface and interface analysis : SIA》2019,51(4):427-457
We have calculated inelastic mean free paths (IMFPs) for 42 inorganic compounds (AgBr, AgCl, AgI, Al2O3, AlAs, AlN, AlSb, cubic BN, hexagonal BN, CdS, CdSe, CdTe, GaAs, GaN, GaP, GaSb, GaSe, InAs, InP, InSb, KBr, KCl, MgF2, MgO, NaCl, NbC0.712, NbC0.844, NbC0.93, PbS, PbSe, PbTe, SiC, SiO2, SnTe, TiC0.7, TiC0.95, VC0.76, VC0.86, Y3Al5O12, ZnS, ZnSe, and ZnTe) for electron energies from 50 eV to 200 keV. These calculations were made with energy-loss functions (ELFs) obtained from measured optical constants for 15 compounds while calculated ELFs were utilized for the other 27 compounds. Checks based on ELF sum rules showed that the calculated ELFs were superior to the measured ELFs that we had used previously. Our calculated IMFPs could be fitted to a modified form of the relativistic Bethe equation for inelastic scattering of electrons in matter for energies from 50 eV to 200 keV. The average root-mean-square (RMS) deviation in these fits was 0.60%. The IMFPs were also compared with a relativistic version of our predictive Tanuma-Powell-Penn (TPP-2M) equation. The average RMS deviation in these comparisons was 10.7% for energies between 50 eV and 200 keV. This average RMS deviation is almost the same as that found in a similar comparison for a group of 41 elemental solids (11.9%) although relatively large deviations were found for cubic BN (65.6%) and hexagonal BN (34.3%). If these two compounds are excluded in the comparisons, the average RMS deviation becomes 8.7%. We found generally satisfactory agreement between our calculated IMFPs and values from other calculations and from experiments. 相似文献
76.
The Schur basis on n d-dimensional quantum systems is a generalization of the total angular momentum basis that is useful for exploiting symmetry under permutations or collective unitary rotations. We present efficient {size poly[n,d,log(1/epsilon)] for accuracy epsilon} quantum circuits for the Schur transform, which is the change of basis between the computational and the Schur bases. Our circuits provide explicit efficient methods for solving such diverse problems as estimating the spectrum of a density operator, quantum hypothesis testing, and communicating without a shared reference frame. We thus render tractable a large series of methods for extracting resources from quantum systems and for numerous quantum information protocols. 相似文献
77.
Implementation of garlic cryopreservation techniques in the national plant germplasm system 总被引:1,自引:0,他引:1
The USDA-ARS National Plant Germplasm System (NPGS) maintains more than 200 Allium sativum (garlic) accessions at the Western Regional Plant Introduction Station in Pullman, WA. All accessions must be grown out in the field annually since garlic plants from these accessions do not reliably produce seeds and bulbs do not store well. Shoot tips excised from garlic cloves can be successfully cryopreserved using either Plant Vitrification Solution 2 (PVS2; 15 percent v/v DMSO, 15 percent v/v ethylene glycol, 30 percent v/w glycerol, 0.4 M sucrose) or Plant Vitrification Solution 3 (PVS3; 50 percent v/w sucrose, 50 percent v/w glycerol). We compared regrowth of shoot tips representing diverse garlic germplasm after exposure to either PVS2 or PVS3 during the cryopreservation procedure. At the USDA-ARS National Center for Genetic Resources Preservation, a component of the NPGS, we consider accessions successfully preserved if a minimum of 40 percent of explants exhibit regrowth after liquid nitrogen exposure and at least 60 viable shoot tips remain in long-term storage. Ten of twelve diverse garlic accessions were successfully cryopreserved using either PVS2 or PVS3 as cryoprotectants. Five genotypes had the best post liquid nitrogen regrowth after exposure to PVS2, four genotypes had the best regrowth after exposure to PVS3, and three genotypes performed equally well using either cryoprotectant solution. This project is part of an ongoing program to cryopreserve accessions of NPGS clonal crop collections. 相似文献
78.
M. Roy Indu Bala S.K. Barbar S. Jangid P. Dave 《Journal of Physics and Chemistry of Solids》2011,72(11):1347-1353
Polycrystalline ceramic samples of Bi4−xLaxTi3O12 (x=0.0, 0.5 and 1) and Bi3.5La0.5Ti3−yNbyO12 (y=0.02 and 0.04) have been synthesized by standard high temperature solid state reaction method using high purity oxides and carbonates. The effect of lanthanum doping on Bi-site and Nb doping on Ti-site on the structural and electrical properties of Bi4Ti3O12 powders was investigated by X-ray diffraction, scanning electron microscopy, dc conductivity and dielectric studies. A better agreement between the observed and calculated X-ray diffraction pattern was obtained by performing the Rietveld refinement with a structural model using the non-centrosymmetric space group Fmmm in all the cases. A better agreement between observed and calculated d-values also shows that the lattice parameters calculated using the Rietveld refinement analysis are better. The increase in lanthanum and niobium contents does not lead to any secondary phases. It is found that La3+ doping reduces the material grain size and changes its morphology from the plate-like form to a spherical staking like form. The substitution of Nb for Ti ions affected the degree of disorder and modified the dielectric properties leading to more resistive ceramic compounds. The shape and size of the grains are strongly influenced by the addition of niobium to the system. The activation energies of all the compounds were calculated by measuring their dc electrical conductivities. The frequency and temperature dependent dielectric behavior of all the compounds have also been studied and the results are discussed in detail. The substitution of La and Nb on the Bi and Ti sites decreased the Tc and improved the dielectric and ferroelectric behavior. 相似文献
79.
Stability of self-assembled monolayers on titanium and gold 总被引:1,自引:0,他引:1
Mani G Johnson DM Marton D Dougherty VL Feldman MD Patel D Ayon AA Agrawal CM 《Langmuir : the ACS journal of surfaces and colloids》2008,24(13):6774-6784
Methyl- and hydroxyl-terminated phosphonic acid self-assembled monolayers (SAMs) were coated on Ti from aqueous solution. Dodecyl phosphate and dodecyltrichlorosilane SAMs were also coated on Ti using solution-phase deposition. The stability of SAMs on Ti was investigated in Tris-buffered saline (TBS) at 37 degrees C using X-ray photoelectron spectroscopy, contact angle goniometry, and atomic force microscopy. For comparison purposes, a hydroxyl-terminated thiol SAM was coated on Au, and its stability was also investigated under similar conditions. In TBS, a significant proportion of phosphonic acid or phosphate molecules were desorbed from the Ti surface within 1 day, while the trichlorosilane SAM on Ti or thiol SAM on Au was stable for up to 7 days under similar conditions. The stability of hydroxyl-terminated phosphonic acid SAM coated Ti and thiol SAM coated Au was investigated in ambient air and ultraviolet (UV) light. In ambient air, the phosphonic acid SAM on Ti was stable for up to 14 days, while the thiol SAM on Au was not stable for 1 day. Under UV-radiation exposure, the alkyl chains of the phosphonic acid SAM were decomposed, leaving only the phosphonate groups on the Ti surface after 12 h. Under similar conditions, decomposition of alkyl chains of the thiol SAM was observed on the Au surface accompanied by oxidation of thiolates. 相似文献
80.