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1.
Paired single residue‐transposed Lys‐N and Lys‐C digestions for label‐free identification of N‐terminal and C‐terminal MS/MS peptide product ions: ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry and tandem mass spectrometry for peptide de novo sequencing 下载免费PDF全文
2.
Mary Marshall Zhaoguo Zhu Rachel Harris Prof. Dr. Kit H. Bowen Wei Wang Jie Wang Chu Gong Prof. Dr. Xinxing Zhang 《Chemphyschem》2021,22(1):5-8
Thorium and its compounds have been widely investigated as important nuclear materials. Previous research focused on the potential use of thorium hydrides, such as ThH2, ThH4, and Th4H15, as nuclear fuels. Here, we report studies of the anion, ThH5−, by anion photoelectron spectroscopy and computations. The resulting experimental and theoretical vertical detachment energies (VDE) for ThH5− are 4.09 eV and 4.11 eV, respectively. These values and the agreement between theory and experiment facilitated the characterization of the structure of the ThH5− anion and showed its neutral counterpart, ThH5 to be a superhalogen. ThH5−, which exhibits a C4v structure with five Th−H single bonds, possesses the largest known H/M ratio among the actinide elements, M. The adaptive natural density partitioning (AdNDP) method was used to further analyze the chemical bonding of ThH5− and to confirm the existence of five Th−H single bonds in the ThH5− molecular anion. 相似文献
3.
Prof. Ki-Young Lee Prof. Mitsuhiko Ikura Dr. Christopher B. Marshall 《Angewandte Chemie (International ed. in English)》2023,62(18):e202218698
KRAS is a peripheral membrane protein that regulates multiple signaling pathways, and is mutated in ≈30 % of cancers. Transient self-association of KRAS is essential for activation of the downstream effector RAF and oncogenicity. The presence of anionic phosphatidylserine (PS) lipids in the membrane was shown to promote KRAS self-assembly, however, the structural mechanisms remain elusive. Here, we employed nanodisc bilayers of defined lipid compositions, and probed the impact of PS concentration on KRAS self-association. Paramagnetic NMR experiments demonstrated the existence of two transient dimer conformations involving alternate electrostatic contacts between R135 and either D153 or E168 on the “α4/5-α4/5” interface, and revealed that lipid composition and salt modulate their dynamic equilibrium. These dimer interfaces were validated by charge-reversal mutants. This plasticity demonstrates how the dynamic KRAS dimerization interface responds to the environment, and likely extends to the assembly of other signaling complexes on the membrane. 相似文献
4.
Liangxu Lin Liang Huang Chang Wu Yu Gao Naihua Miao Chao Wu Aaron T. Marshall Yi Zhao Jiazhao Wang Jun Chen Shixue Dou Gordon G. Wallace Wei Huang 《Angewandte Chemie (International ed. in English)》2023,62(49):e202315182
The exploration of inexpensive and efficient catalysts for oxygen reduction reaction (ORR) is crucial for chemical and energy industries. Carbon materials have been proved promising with different catalysts enabling 2 and 4e− ORR. Nevertheless, their ORR activity and selectivity is still complex and under debate in many cases. Many structures of these active carbon materials are also chemically unstable for practical implementations. Unlike the well-discussed structures, this work presents a strategy to promote efficient and stable 2e− ORR of carbon materials through the synergistic effect of lattice distortion and H-passivation (on the distorted structure). We show how these structures can be formed on carbon cloth, and how the reproducible chemical adsorption can be realized on these structures for efficient and stable H2O2 production. The work here gives not only new understandings on the 2e− ORR catalysis, but also the robust catalyst which can be directly used in industry. 相似文献
5.
Dr. Alif Sussardi Dr. Ross J. Marshall Prof. Stephen A. Moggach Prof. Anita C. Jones Prof. Ross S. Forgan 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(60):14871-14875
Photophysical studies of chromophoric linkers in metal–organic frameworks (MOFs) are undertaken commonly in the context of sensing applications, in search of readily observable changes of optical properties in response to external stimuli. The advantages of the MOF construct as a platform for investigating fundamental photophysical behaviour have been somewhat overlooked. The linker framework offers a unique environment in which the chromophore is geometrically constrained and its structure can be determined crystallographically, but it exists in spatial isolation, unperturbed by inter-chromophore interactions. Furthermore, high-pressure studies enable the photophysical consequences of controlled, incremental changes in local environment or conformation to be observed and correlated with structural data. This approach is demonstrated in the present study of the trans-azobenzene chromophore, constrained in the form of the 4,4’-azobenzenedicarboxylate (abdc) linker, in a UiO topology framework. Previously unobserved effects of pressure-induced solvation and conformational distortion on the lowest energy, nπ* transition are reported, and interpreted the light of crystallographic data. It was found that trans-azobenzene remains non-fluorescent (with a quantum yield less than 10−4) despite the prevention of trans-cis isomerization by the constraining MOF structure. We propose that efficient non-radiative decay is mediated by the local, pedal-like twisting of the azo group that is evident as dynamic disorder in the crystal structure. 相似文献
6.
7.
Improved ion optics for introduction of ions into a 9.4‐T Fourier transform ion cyclotron resonance mass spectrometer 下载免费PDF全文
Yu Chen Nathan K. Kaiser Xibei Dang Yehia M. Ibrahim Randolph V. Norheim Gordon A. Anderson Richard D. Smith Alan G. Marshall 《Journal of mass spectrometry : JMS》2015,50(1):280-284
Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass‐selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
8.
Birmele [J Graph Theory 2003] proved that every graph with circumference t has treewidth at most . Under the additional assumption of 2‐connectivity, such graphs have bounded pathwidth, which is a qualitatively stronger conclusion. Birmele's theorem was extended by Birmele et al. [Combinatorica 2007] who showed that every graph without k disjoint cycles of length at least t has treewidth . Our main result states that, under the additional assumption of ‐connectivity, such graphs have bounded pathwidth. In fact, they have pathwidth . Moreover, examples show that ‐connectivity is required for bounded pathwidth to hold. These results suggest the following general question: for which values of k and graphs H does every k‐connected H‐minor‐free graph have bounded pathwidth? We discuss this question and provide a few observations. 相似文献
9.
Marshall Slemrod Athanasios E. Tzavaras 《Archive for Rational Mechanics and Analysis》1993,122(4):353-392
This report discusses a new approach for the resolution of the fluid-dynamic limit for the Broadwell system of the kinetic theory of gases, appropriate in the case of Riemann, Maxwellian data. Since the formal limiting system is expected to have self-similar solutions, we are motivated to replace the Knudsen number in the Broadwell model so that the resulting model admits self-similar solutions =x/t and then let go to zero. The limiting procedure is justified and the resulting limit is a solution of the Riemann problem for the fluid-dynamic limit equations. A class of Riemann data for which this program can be carried out is exhibited. Furthermore, it is shown that for the Carleman model the complete program can be done successfully for arbitrary Riemann data. 相似文献
10.
Mikhail?Feldman Seung-Yeal?Ha Marshall?SlemrodEmail author 《Archive for Rational Mechanics and Analysis》2005,178(1):81-123
In this paper, we present a new geometric level-set formulation of a plasma-sheath interface arising in plasma physics. We formally derive the explicit dynamics of the interface from the Euler-Poisson equations and study the local-time evolution of the interface and sheath in some special cases. 相似文献