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排序方式: 共有102条查询结果,搜索用时 15 毫秒
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Leclerc E Buchmann W Taphanel MH Morizur JP 《Rapid communications in mass spectrometry : RCM》2002,16(7):686-695
Ion/molecule reactions between O=P(OCH(3))(2)(+) phosphonium ions and six aromatic hydrocarbons (benzene, toluene, 1,2,4-trimethylbenzene, naphthalene, acenaphthylene and fluorene) were performed in a quadrupole ion trap mass spectrometer. The O=P(OCH(3))(2)(+) phosphonium ions, formed by electron impact from neutral trimethyl phosphite, were found to react with aromatic hydrocarbons (ArHs) to give (i) an adduct [ArH, O=P(OCH(3))(2)](+) and (ii) for ArHs which have an ionization energy below or equal to 8.14 eV, a radical cation ArH(+ *) by charge transfer reaction. Collision-induced dissociation experiments, which produce fragment ions other than the O=P(OCH(3))(2)(+) ions, indicate that the adduct ions are covalent species. Isotope-labeled ArHs were used to elucidate fragmentation mechanisms. The charge transfer reactions were investigated using density functional theory at the B3LYP/6-311 + G(3df,2p)//B3LYP/6-31G(d,p) level of theory. The potential energy surface obtained from B3LYP/6-31G(d,p) calculations for the reaction between O=P(OCH(3))(2)(+) and benzene is described. 相似文献
3.
Cheguillaume G Buchmann W Desmazières B Tortajada J 《Journal of mass spectrometry : JMS》2004,39(4):368-377
Two model peptides, des-Arg1-bradykinin (DAB) and bradykinin (B), were cationized by Ag+ after their separation by reversed-phase liquid chromatography (RPLC) prior to mass spectrometry (MS). Silver nitrate solution was used as a post-column reagent. The RPLC and MS experimental conditions were optimized using flow injection in order to obtain sufficiently abundant silver adducts to permit MS/MS experiments. The use of water-methanol with 0.1% formic acid as mobile phase allowed a good chromatographic separation of the two peptides with a polymeric stationary phase and sufficiently abundant silver-containing adducts, [M + Ag + H]2+ and [M + 2Ag]2+. The gas-phase dissociation of [DAB + Ag + H]2+ and [DAB + 2Ag]2+ led to interpretable mass spectra during the on-line cationization experiment. Most of the ions obtained by dissociating [DAB + Ag + H]2+ and [DAB + 2Ag]2+ species are silver-containing ions but the ions produced depend on the parent. The ions coming from the dissociation of the doubly charged silver adducts [DAB + Ag + H]2+ or [DAB + 2Ag]2+ are of interest compared with those coming from the singly charged silver species or doubly charged protonated species. The fragmentation of the doubly charged silver adducts provides ions over the entire mass range. Although the presence of several prolines in des-Arg1-bradykinin prevents the formation of some expected ions, the observation of triplets [an-H + Ag]+, [bn-H + Ag]+ and [bn + OH + Ag]+ produced by the dissociation of on-line Ag(+)-cationized peptides could contribute to greater success of automatic sequencing of peptides. 相似文献
4.
We present a new deterministic algorithm for the problem of constructing th power nonresidues in finite fields , where is prime and is a prime divisor of . We prove under the assumption of the Extended Riemann Hypothesis (ERH), that for fixed and , our algorithm runs in polynomial time. Unlike other deterministic algorithms for this problem, this polynomial-time bound holds even if is exponentially large. More generally, assuming the ERH, in time we can construct a set of elements that generates the multiplicative group . An extended abstract of this paper appeared in Proc. 23rd Ann. ACM Symp. on Theory of Computing, 1991.
5.
Paul Ruelle Michel Buchmann Hô Nam-Tran Ulrich W. Kesselring 《Journal of computer-aided molecular design》1992,6(5):431-448
Summary The thermodynamics of mobile order is applied to predict the aqueous solubility of liquid and solid aliphatic and polycyclic aromatic hydrocarbons. The solubility values are mainly determined by the magnitude of the hydrophobic effect. However, contrary to the solubilities of the alkanes, the solubilities of polycyclic aromatic hydrocarbons in water predicted in absence of solute-solvent hydrogen (H) bonds are systematically too low. This shows the contribution of weak specific interactions between the OH groups and the electrons of the aromatic substances. According to the theory, these interactions are characterized by a stability bility constant Ko which can be derived from solubility data. At 25°C, this constant amounts to 80 cm3/mol, the order of magnitude of which can be explained by the competition of these intermolecular bonds with the rather weak self-association bonds in the secondary chains of water. 相似文献
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Dr. Selina Beatrice van der Meer Theresa Seiler Christin Buchmann Georgia Partalidou Dr. Sophia Boden Dr. Kateryna Loza Dr. Marc Heggen Dr. Jürgen Linders Dr. Oleg Prymak Prof. Dr. Cristiano L. P. Oliveira Prof. Dr. Laura Hartmann Prof. Dr. Matthias Epple 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(4):1451-1464
Ultrasmall gold nanoparticles (diameter about 2 nm) were surface-functionalized with cysteine-carrying precision macromolecules. These consisted of sequence-defined oligo(amidoamine)s (OAAs) with either two or six cysteine molecules for binding to the gold surface and either with or without a PEG chain (3400 Da). They were characterized by 1H NMR spectroscopy, 1H NMR diffusion-ordered spectroscopy (DOSY), small-angle X-ray scattering (SAXS), and high-resolution transmission electron microscopy. The number of precision macromolecules per nanoparticle was determined after fluorescent labeling by UV spectroscopy and also by quantitative 1H NMR spectroscopy. Each nanoparticle carried between 40 and 100 OAA ligands, depending on the number of cysteine units per OAA. The footprint of each ligand was about 0.074 nm2 per cysteine molecule. OAAs are well suited to stabilize ultrasmall gold nanoparticles by selective surface conjugation and can be used to selectively cover their surface. The presence of the PEG chain considerably increased the hydrodynamic diameter of both dissolved macromolecules and macromolecule-conjugated gold nanoparticles. 相似文献
9.
L. Buchmann H. W. Becker K. U. Kettner W. E. Kieser P. Schmalbrock C. Rolfs 《Zeitschrift für Physik A Hadrons and Nuclei》1980,296(3):273-280
The reaction26Mg(p, γ)27Al has been investigated atE p (lab)=80–355 keV. The existence of the resonances atE p =292 and 338 keV has been verified and new resonances were found atE p =227 and 275 keV. Information on branching and mixing ratios,ωγ values, total widths, andJ π assignments for the observed resonances is given. Upper limits on theωγ strengths for expected resonances in the energy range covered are presented. The astrophysical aspects of the data are discussed in the light of the26Mg(26Al) isotopic anomaly. 相似文献
10.
Recent data allow a new parametrization of the neutron charge form factor GnE. A parameter-free quark-model relation between GnE and the N-->Delta quadrupole form factor G(N-->Delta)C2 is used to predict G(N-->Delta)C2 from GnE data. In particular, is related to N-->Delta quadrupole moment Q(N-->Delta), while connects to the N-->Delta quadrupole transition radius Delta)>. From the latter we derive an experimental value for the charge radius of the light constituent quarks r(gamma(q)) = 0.8 fm. Finally, the C2/M1 ratio in pion electroproduction is predicted from the elastic neutron form factor data. 相似文献