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41.
Purves RW Barnett DA Ells B Guevremont R 《Journal of the American Society for Mass Spectrometry》2000,11(8):738-745
High-field asymmetric waveform ion mobility spectrometry (FAIMS) was used to separate gas-phase conformers of bovine ubiquitin produced by electrospray ionization. These conformers were sampled by a triple quadrupole mass spectrometer where energy-loss experiments, following the work of Douglas and co-workers, were used to determine their cross sections. The measured cross sections for some conformers were readily altered by the voltages applied to the interface ion optics, therefore very gentle mass spectrometer interface conditions were required to preserve gas-phase conformers separated by FAIMS. Cross sections for 19 conformers (charge states +5 through +13) were measured. Two conformers for the +12 charge state, which were readily separated in FAIMS, were found to have similar cross sections. Based on a method to calibrate the collision gas thickness, the cross sections measured using the FAIMS/energy-loss method were compared with literature values determined using drift tube ion mobility spectrometry. The comparison illustrated that the conformers of bovine ubiquitin that were identified using drift tube ion mobility spectrometry were also observed using the FAIMS device. 相似文献
42.
Intercalation of trioxatriangulenium ion in DNA: binding,electron transfer,x-ray crystallography,and electronic structure 总被引:1,自引:0,他引:1
Reynisson J Schuster GB Howerton SB Williams LD Barnett RN Cleveland CL Landman U Harrit N Chaires JB 《Journal of the American Chemical Society》2003,125(8):2072-2083
Trioxatriangulenium ion (TOTA(+)) is a flat, somewhat hydrophobic compound that has a low-energy unoccupied molecular orbital. It binds to duplex DNA by intercalation with a preference for G-C base pairs. Irradiation of intercalated TOTA(+) causes charge (radical cation) injection that results in strand cleavage (after piperidine treatment) primarily at GG steps. The X-ray crystal structure of TOTA(+) intercalated in the hexameric duplex d[CGATCG](2) described here reveals that intercalation of TOTA(+) results in an unusually large extension of the helical rise of the DNA and that the orientation of TOTA(+) is sensitive to hydrogen-bonding interactions with backbone atoms of the DNA. Electronic structure calculations reveal no meaningful charge transfer from DNA to TOTA(+) because the lowest unoccupied molecular orbital of TOTA(+), (LUMO)(T), falls in the gap between the highest occupied molecular orbital, (HOMO)(D), and the (LUMO)(D) of the DNA bases. These calculations reveal the importance of backbone, water, and counterion interactions, which shift the energy levels of the bases and the intercalated TOTA(+) orbitals significantly. The calculations also show that the inserted TOTA(+) strongly polarizes the intercalation cavity where a sheet of excess electron density surrounds the TOTA(+). 相似文献
43.
Schumm BA Koetke DS Adolphsen CE Alexander JP Averill D Barish BC Barklow T Barnett BA Blockus D Boyarski A Brabson B Breakstone A Bulos F Burchat PR Burke DL Cence RJ Chapman J Chmeissani M Cords D Coupal DP Dauncey P DeStaebler HC Dorfan JM Drell PS Drewer DC Durrett D Elia R Feldman GJ Field RC Ford WT Fordham C Frey R Fujino D Gan KK Gero E Gidal G Glanzman T Goldhaber G Gomez Cadenas JJ Gratta G Hanson G Harr R Harral B Harris FA Hayes K Hearty C Heusch CA Hildreth MD Himel T Hinshaw DA 《Physical review D: Particles and fields》1992,46(1):453-456
44.
45.
应用原子吸收光谱法测定了内蒙古地产的笃斯茎、叶中的Cu,Fe,Zn,Mn,Ca,Mg等六种人体必需微量元素及宏量元素的含量。从而为评价笃斯的品质及其药理、药效提供了具有一定价值的数据。 相似文献
46.
47.
S. Hao A. H. Barnett P. G. Martinsson P. Young 《Advances in Computational Mathematics》2014,40(1):245-272
Boundary integral equations and Nyström discretization provide a powerful tool for the solution of Laplace and Helmholtz boundary value problems. However, often a weakly-singular kernel arises, in which case specialized quadratures that modify the matrix entries near the diagonal are needed to reach a high accuracy. We describe the construction of four different quadratures which handle logarithmically-singular kernels. Only smooth boundaries are considered, but some of the techniques extend straightforwardly to the case of corners. Three are modifications of the global periodic trapezoid rule, due to Kapur–Rokhlin, to Alpert, and to Kress. The fourth is a modification to a quadrature based on Gauss–Legendre panels due to Kolm–Rokhlin; this formulation allows adaptivity. We compare in numerical experiments the convergence of the four schemes in various settings, including low- and high-frequency planar Helmholtz problems, and 3D axisymmetric Laplace problems. We also find striking differences in performance in an iterative setting. We summarize the relative advantages of the schemes. 相似文献
48.
Abulencia A Adelman J Affolder T Akimoto T Albrow MG Ambrose D Amerio S Amidei D Anastassov A Anikeev K Annovi A Antos J Aoki M Apollinari G Arguin JF Arisawa T Artikov A Ashmanskas W Attal A Azfar F Azzi-Bacchetta P Azzurri P Bacchetta N Badgett W Barbaro-Galtieri A Barnes VE Barnett BA Baroiant S Bartsch V Bauer G Bedeschi F Behari S Belforte S Bellettini G Bellinger J Belloni A Benjamin D Beretvas A Beringer J Berry T Bhatti A Binkley M Bisello D Blair RE Blocker C Blumenfeld B Bocci A 《Physical review letters》2007,98(13):132002
We present an analysis of angular distributions and correlations of the X(3872) particle in the exclusive decay mode X(3872)-->J/psipi+ pi- with J/psi-->mu+ mu-. We use 780 pb-1 of data from pp[over ] collisions at sqrt[s]=1.96 TeV collected with the CDF II detector at the Fermilab Tevatron. We derive constraints on spin, parity, and charge conjugation parity of the X(3872) particle by comparing measured angular distributions of the decay products with predictions for different J(PC) hypotheses. The assignments J(PC)=1++ and 2-+ are the only ones consistent with the data. 相似文献
49.
Aaltonen T Abulencia A Adelman J Affolder T Akimoto T Albrow MG Ambrose D Amerio S Amidei D Anastassov A Anikeev K Annovi A Antos J Aoki M Apollinari G Arguin JF Arisawa T Artikov A Ashmanskas W Attal A Azfar F Azzi-Bacchetta P Azzurri P Bacchetta N Badgett W Barbaro-Galtieri A Barnes VE Barnett BA Baroiant S Bartsch V Bauer G Bedeschi F Behari S Belforte S Bellettini G Bellinger J Belloni A Benjamin D Beretvas A Beringer J Berry T Bhatti A Binkley M Bisello D Blair RE Blocker C Blumenfeld B 《Physical review letters》2007,98(14):142001
We present a measurement of the top-quark mass Mtop in the all-hadronic decay channel tt-->W+bW-b-->q1q2bq3q4b. The analysis is performed using 310 pb-1 of sqrt[s]=1.96 TeV pp[over ] collisions collected with the CDF II detector using a multijet trigger. The mass measurement is based on an event-by-event likelihood which depends on both the sample purity and the value of the top-quark mass, using 90 possible jet-to-parton assignments in the six-jet final state. The joint likelihood of 290 selected events yields a value of Mtop=177.1+/-4.9(stat)+/-4.7(syst) GeV/c2. 相似文献
50.
A Novel Bismuth‐Based Metal–Organic Framework for High Volumetric Methane and Carbon Dioxide Adsorption
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Mathew Savage Dr. Sihai Yang Dr. Mikhail Suyetin Prof. Dr. Elena Bichoutskaia Dr. William Lewis Prof. Dr. Alexander J. Blake Sarah A. Barnett Prof. Dr. Martin Schröder 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(26):8024-8029
Solvothermal reaction of H4L (L=biphenyl‐3,3′,5,5′‐tetracarboxylate) and Bi(NO3)3 ? (H2O)5 in a mixture of DMF/MeCN/H2O in the presence of piperazine and nitric acid at 100 °C for 10 h affords the solvated metal–organic polymer [Bi2(L)1.5(H2O)2] ? (DMF)3.5 ? (H2O)3 (NOTT‐220‐solv). A single crystal X‐ray structure determination confirms that it crystallises in space group P2/c and has a neutral and non‐interpenetrated structure comprising binuclear {Bi2} centres bridged by tetracarboxylate ligands. NOTT‐220‐solv shows a 3,6‐connected network having a framework topology with a {4 ? 62}2{42 ? 65 ? 88}{62 ? 8} point symbol. The desolvated material NOTT‐220a shows exceptionally high adsorption uptakes for CH4 and CO2 on a volumetric basis at moderate pressures and temperatures with a CO2 uptake of 553 g L?1 (20 bar, 293 K) with a saturation uptake of 688 g L?1 (1 bar, 195 K). The corresponding CH4 uptake was measured as 165 V(STP)/V (20 bar, 293 K) and 189 V(STP/V) (35 bar, 293 K) with a maximum CH4 uptake for NOTT‐220a recorded at 20 bar and 195 K to be 287 V(STP)/V, while H2 uptake of NOTT‐220a at 20 bar, 77 K is 42 g L?1. These gas uptakes have been modelled by grand canonical Monte Carlo (GCMC) and density functional theory (DFT) calculations, which confirm the experimental data and give insights into the nature of the binding sites of CH4 and CO2 in this porous hybrid material. 相似文献