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排序方式: 共有63条查询结果,搜索用时 31 毫秒
1.
S.A.Vieira Filho L.P. Duarte G.D.F. Silva O.W. Howarth I.S. Lula 《Helvetica chimica acta》2003,86(10):3445-3449
3β‐(Stearyloxy)olean‐12‐ene was isolated from a hexane extract of Austroplenckia populnea Reiss (Celastraceae) leaves. The structure was solved by means of quantitative 13C‐NMR, HMBC, HMQC, COSY, NOESY, and NOE difference spectra. The mass spectrum showed an [M+1]+ ion peak at m/z 693, and the molecular formula C48H84O2 was confirmed by combustion analysis. 相似文献
2.
Under certain circumstances, the primary hyperfine electron paramagnetic resonance spectrum is accompanied by additional lines
which are located at nuclear magnetic resonance spacings, almost independent of the hyperfine spin-Hamiltonian matrix A. This situation allows instant identification of the nuclide responsible. The theory behind this phenomenon is available,
tractable via perturbation theory, and yields line positions and relative intensities, but is none too translucent. The present
work attempts to portray the predictions of the theory using simple examples, utilizing computer-based analysis and spectral
simulations. 相似文献
3.
Rolle Rahikainen Pramila Rijal Tiong Kit Tan Hung‐Jen Wu Anne‐Marie C. Andersson Jordan R. Barrett Thomas A. Bowden Simon J. Draper Alain R. Townsend Mark Howarth 《Angewandte Chemie (International ed. in English)》2021,60(1):321-330
Matching of symmetry at interfaces is a fundamental obstacle in molecular assembly. Virus‐like particles (VLPs) are important vaccine platforms against pathogenic threats, including Covid‐19. However, symmetry mismatch can prohibit vaccine nanoassembly. We established an approach for coupling VLPs to diverse antigen symmetries. SpyCatcher003 enabled efficient VLP conjugation and extreme thermal resilience. Many people had pre‐existing antibodies to SpyTag:SpyCatcher but less to the 003 variants. We coupled the computer‐designed VLP not only to monomers (SARS‐CoV‐2) but also to cyclic dimers (Newcastle disease, Lyme disease), trimers (influenza hemagglutinins), and tetramers (influenza neuraminidases). Even an antigen with dihedral symmetry could be displayed. For the global challenge of influenza, SpyTag‐mediated display of trimer and tetramer antigens strongly induced neutralizing antibodies. SpyCatcher003 conjugation enables nanodisplay of diverse symmetries towards generation of potent vaccines. 相似文献
4.
Detoxification of Chemical Warfare Agents Using a Zr6‐Based Metal–Organic Framework/Polymer Mixture 下载免费PDF全文
Dr. Su‐Young Moon Emmanuel Proussaloglou Gregory W. Peterson Dr. Jared B. DeCoste Morgan G. Hall Dr. Ashlee J. Howarth Prof. Joseph T. Hupp Prof. Omar K. Farha 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(42):14864-14868
Owing to their high surface area, periodic distribution of metal sites, and water stability, zirconium‐based metal–organic frameworks (Zr6‐MOFs) have shown promising activity for the hydrolysis of nerve agents GD and VX, as well as the simulant, dimethyl 4‐nitrophenylphosphate (DMNP), in buffered solutions. A hurdle to using MOFs for this application is the current need for a buffer solution. Here the destruction of the simulant DMNP, as well as the chemical warfare agents (GD and VX) through hydrolysis using a MOF catalyst mixed with a non‐volatile, water‐insoluble, heterogeneous buffer is reported. The hydrolysis of the simulant and nerve agents in the presence of the heterogeneous buffer was fast and effective. 相似文献
5.
Howarth DF Weil JA Zimpel Z 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2003,161(2):215-221
A new lineshape function is derived from the Tsallis distribution to describe electron paramagnetic resonance (EPR) spectra, and possibly nuclear magnetic resonance (NMR) spectra as well. This lineshape generalizes the Gaussian and Lorentzian lineshapes that are widely used in simulations. The main features of this lineshape function are presented: the normalization, moments, and first derivative. A number of experimental EPR spectra are compared with the results of simulations employing the new lineshape function. The results show that the new lineshape often provides a better approximation of the experimental spectrum. It is also shown that the new parameter of the lineshape function can be used to quantify the intermolecular spin-spin interactions. 相似文献
6.
Selective Photooxidation of a Mustard‐Gas Simulant Catalyzed by a Porphyrinic Metal–Organic Framework 下载免费PDF全文
Dr. Yangyang Liu Dr. Ashlee J. Howarth Prof. Joseph T. Hupp Prof. Omar K. Farha 《Angewandte Chemie (International ed. in English)》2015,54(31):9001-9005
The photooxidation of a mustard‐gas simulant, 2‐chloroethyl ethyl sulfide (CEES), is studied using a porphyrin‐based metal–organic framework (MOF) catalyst. At room temperature and neutral pH value, singlet oxygen is generated by PCN‐222/MOF‐545 using an inexpensive and commercially available light‐emitting diode. The singlet oxygen produced by PCN‐222/MOF‐545 selectively oxidizes CEES to the comparatively nontoxic product 2‐chloroethyl ethyl sulfoxide (CEESO) without formation of the highly toxic sulfone product. In comparison to current methods, which utilize hydrogen peroxide as an oxidizing agent, this is a more realistic, convenient, and effective method for mustard‐gas detoxification. 相似文献
7.
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9.
Nokhrin SM Howarth DF Weil JA 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,193(1):1-9
In an earlier paper (Part 1), featuring group-theoretical analysis, it was shown that the isotropic EPR spectra of free radical (S=1/2) species XL(n), where the n equivalent nuclei also have spin 1/2, have a more complicated form than anticipated from the usual (first-order) oversimplified analysis. The nucleus of X is taken to be spin-less. The latter predicts n+1 lines with intensity ratios given by the coefficients of the binomial expansion; for systems with n=3, the EPR spectrum in fact consists of 6 lines. Analogous considerations hold for NMR spectroscopy of XL(n) non-radicals. For n > or = 3 systems, the degeneracy of the energy levels cannot be completely removed by the Zeeman electronic and nuclear interactions. Explicit solutions for n=3 (analytic, as well as computational) of the spin-hamiltonian for the energies and spin states have been obtained and are given in the present work. Discussion of the underlying theory, invoking exchange degeneracy, is included herein in some detail, focusing on line positions and relative spectral intensities. 相似文献
10.
Padar P Bokros A Paragi G Forgó P Kele Z Howarth NM Kovacs L 《The Journal of organic chemistry》2006,71(22):8669-8672
8-Benzyloxymethyl-3,4,5-tribenzoyloxy-9-oxa-1-azabicyclo[4.2.1]nonane has been prepared as the single diastereoisomer 8 from an intramolecular 1,3-dipolar cycloaddition involving 2-(benzyloxy)acetaldehyde and omega-unsaturated hydroxylamine 7 derived from methyl alpha-D-glucopyranoside. The analogous 8-methoxycarbonyl 9-oxa-1-azabicyclo[4.2.1]nonane was afforded in a similar manner, from methyl D-galactopyranoside and methyl glyoxylate, as a 3:1 mixture of diastereoisomers 15 and 16. When conducted in achiral ionic liquid 17 this ratio increased to 8:1, and in chiral ionic liquid 18, compound 15 was formed exclusively. 相似文献