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51.
Perttu Permi Ilkka Kilpelinen Arto Annila 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2000,146(2):255
Transverse relaxation-optimized NMR experiment (TROSY) for the measurement of three-bond scalar coupling constant between 1Hαi−1 and 15Ni defining the dihedral angle ψ is described. The triple-spin-state-selective experiment allows measurement of 3JHαN from 13Cα, 15N, and 1HN correlation spectra H2O with minimum resonance overlap. Transverse relaxation of 13Cα spin is minimized by using spin-state-selective filtering and by acquiring a signal longer in 15N-dimension in a manner of semi-constant-time TROSY evolution. The 3JHαN values obtained with the proposed α/β-HN(CO)CA-J TROSY scheme are in good agreement with the values measured earlier from ubiquitin in D2O using the HCACO[N] experiment. 相似文献
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53.
We investigate the dynamics of polymer translocation through a nanopore under an externally applied field using the two-dimensional fluctuating bond model with single-segment Monte Carlo moves. We concentrate on the influence of the field strength E, length of the chain N, and length of the pore L on forced translocation. As our main result, we find a crossover scaling for the translocation time tau with the chain length from tau approximately N2nu for relatively short polymers to tau approximately N1+nu for longer chains, where nu is the Flory exponent. We demonstrate that this crossover is due to the change in the dependence of the translocation velocity v on the chain length. For relatively short chains v approximately N-nu, which crosses over to v approximately N(-1) for long polymers. The reason for this is that with increasing N there is a high density of segments near the exit of the pore, which slows down the translocation process due to slow relaxation of the chain. For the case of a long nanopore for which R parallel, the radius of gyration Rg along the pore, is smaller than the pore length, we find no clear scaling of the translocation time with the chain length. For large N, however, the asymptotic scaling tau approximately N1+nu is recovered. In this regime, tau is almost independent of L. We have previously found that for a polymer, which is initially placed in the middle of the pore, there is a minimum in the escape time for R parallel approximately L. We show here that this minimum persists for weak fields E such that EL is less than some critical value, but vanishes for large values of EL. 相似文献
54.
Ojanperä S Pelander A Pelzing M Krebs I Vuori E Ojanperä I 《Rapid communications in mass spectrometry : RCM》2006,20(7):1161-1167
An efficient method was developed for toxicological drug screening in urine by liquid chromatography coupled with electrospray ionization time-of-flight mass spectrometry. The method relies on a large target database of exact monoisotopic masses representing the elemental formulae of reference drugs and their metabolites. Mass spectral identification is based on matching measured accurate mass and isotopic pattern (SigmaFit) of a sample component with those in the database. Data post-processing software was developed for automated reporting of findings in an easily interpretable form. The mean and median of SigmaFit for true-positive findings were 0.0066 and 0.0051, respectively. The mean and median of mass error absolute values for true-positive findings were 2.51 and 2.17 ppm, respectively, corresponding to 0.65 and 0.60 mTh. For routine screening practice, a SigmaFit tolerance of 0.03 and a mass tolerance of 10 ppm were chosen. Ion abundance differences from urine extracts did not affect the accuracy of the automatically acquired SigmaFit or mass values. The results show that isotopic pattern matching by SigmaFit is a powerful means of identification in addition to accurate mass measurement. 相似文献
55.
We investigate the dynamics of polymer translocation through a nanopore using two-dimensional Langevin dynamics simulations. In the absence of an external driving force, we consider a polymer which is initially placed in the middle of the pore and study the escape time tau(e) required for the polymer to completely exit the pore on either side. The distribution of the escape times is wide and has a long tail. We find that tau(e) scales with the chain length N as tau(e) approximately N(1+2nu), where nu is the Flory exponent. For driven translocation, we concentrate on the influence of the friction coefficient xi, the driving force E, and the length of the chain N on the translocation time tau, which is defined as the time duration between the first monomer entering the pore and the last monomer leaving the pore. For strong driving forces, the distribution of translocation times is symmetric and narrow without a long tail and tau approximately E(-1). The influence of xi depends on the ratio between the driving and frictional forces. For intermediate xi, we find a crossover scaling for tau with N from tau approximately N(2nu) for relatively short chains to tau approximately N(1+nu) for longer chains. However, for higher xi, only tau approximately N(1+nu) is observed even for short chains, and there is no crossover behavior. This result can be explained by the fact that increasing xi increases the Rouse relaxation time of the chain, in which case even relatively short chains have no time to relax during translocation. Our results are in good agreement with previous simulations based on the fluctuating bond lattice model of polymers at intermediate friction values, but reveal additional features of dependency on friction. 相似文献
56.
M. D. Shcherbin K. V. Pavlyukov A. A. Salo S. F. Pertsev A. V. Rikunov 《Journal of Applied Mechanics and Technical Physics》2013,54(5):689-701
An attempt is undertaken to describe the development of the disturbed region of the atmosphere caused by the nuclear explosion over Hiroshima on August 6, 1945. Numerical simulation of the phenomenon is performed using the dynamic equations for a nonconducting inviscid gas taking into account the combustion of urban buildings, phase changes of water, electrification of ice particles, and removal of soot particles. The results of the numerical calculation of the development of the disturbed region indicate heavy rainfall, the formation of a storm cloud with lightning discharges, removal of soot particles, and the formation of vertical vortices. The temporal sequence of these meteorological phenomena is consistent with the data of observations. Because of the assumptions and approximations used in solving the problem, the results are of qualitative nature. Refinement of the results can be obtained by a more detailed study of the approximate initial and boundary conditions of the problem. 相似文献
57.
Wirtanen G Salo S Helander IM Mattila-Sandholm T 《Colloids and surfaces. B, Biointerfaces》2001,20(1):37-50
Biofilms of the Gram-negative bacteria Pseudomonas aeruginosa and Pseudomonas fragi were grown on stainless steel surfaces (AISI 304, 2B) for 4 days in slime broth. These biofilms were treated with four commercial disinfectants. The disinfectants were alcohol-based, tenside-based, peroxide-based and chlorine-based products, covering most disinfectant types used in the food industry. The effects of the disinfectants on the bacterial cells were first investigated in suspension using the permeabilisation test, which is based on fluorescence assessment of hydrophobic 1-N-phenyl-naphtylamine (NPN). The surfaces covered with disinfectant-treated biofilms were investigated using conventional cultivation, impedimetry and epifluorescence microscopy in combination with image analysis of preparations stained with the DNA-stain acridine orange and with the metabolic indicator system CTC-DAPI. The results showed that the tenside-based and peroxide-based disinfectants permeabilised the cells in suspension. The overall biofilm results showed that of the agents tested, the peroxide-based and chlorine-based disinfectants acted most effectively on cells in biofilms. 相似文献
58.
Gabriel P. Paternain Mikko Salo Gunther Uhlmann 《Geometric And Functional Analysis》2012,22(5):1460-1489
We show that for a simple surface with boundary the attenuated ray transform in the presence of a unitary connection and a skew-Hermitian Higgs field is injective modulo the natural obstruction for functions and vector fields. We also show that the connection and the Higgs field are uniquely determined by the scattering relation modulo a gauge transformation. The proofs involve a Pestov type energy identity for connections together with holomorphic gauge transformations which arrange the curvature of the connection to have definite sign. 相似文献
59.
Jozef Saloň Viktor Milata Nade?da Prónayová Ján Le?ko 《Monatshefte für Chemie / Chemical Monthly》2000,29(11):293-299
Reaction of 5-aminoquinoxaline with alkoxymethylene derivatives affords the corresponding quinoxalinoaminoethylenes. These undergo a thermal cyclization to yield angularly annelated 10H-pyrido[2,3-f]quinoxalines. The structures of all products were deduced from their IR, UV, mass, 1H, and 13C NMR spectra. 相似文献
60.
A. P. Voronov V. I. Salo V. M. Puzikov V. F. Tkachenko Yu. T. Vydaĭ 《Crystallography Reports》2006,51(4):696-701
The conditions for the growth of potassium dihydrogen phosphate (KDP) and ammonium dihydrogen phosphate (ADP) crystals with concentrations of the thallium activator in the initial solution of 0.01, 0.1, and 1.0 wt % are investigated. It is shown that the character of incorporation and distribution of thallium in the KDP and ADP lattices is limited, apparently, by the difference in the ionic radii of K+, NH 4 + , and Tl+ cations and the charge state of prismatic {100} and pyramidal {101} growth planes. Doping of KDP and ADP with thallium (to 0.1 and 1.0 wt %, respectively) does not deteriorate the structural quality of these crystals. The dependence of the lattice parameters a and c on the thallium impurity concentration is investigated. The absorption bands of thallium in the KDP:Tl+ and ADP:Tl+ crystals peak at 218 and 215 nm, respectively, while the photoluminescence band peaks at 280 nm for both types of crystals. The relative light yield upon excitation of scintillations by α particles (Pu239) and β particles (Bi207) is measured. 相似文献