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1.
G. Chambaud W. Gabriel T. Schmelz P. Rosmus A. Spielfiedel N. Feautrier 《Theoretical chemistry accounts》1993,87(1-2):5-17
Summary The three-dimensional potential energy functions have been calculated from highly correlated multireference configuration interaction electronic wavefunctions for theX
3
B
1,a
1
A
1, andb
1
B
1 states of the NH
2
+
ion. For the quasi-linear electronic ground state this information and the electric dipole moment functions have been used to calculate spectroscopic constants, line intensities and rotationally resolved absorption spectra. For thea
1
A
1-b
1
B
1 bent/quasi-linear Renner-Teller system ro-vibronic energy levels have been obtained from a variational approach accounting for anharmonicity, rotation-vibration and electronic angular momenta coupling effects. The vibronic levels are given for energies up to 13 500 cm–1 for the bending levels and up to 8000 cm–1 for the stretching and combination levels.Dedicated in the honor of Prof. Werner Kutzelnigg 相似文献
2.
Gabriela Ionita Petre Ionita Victor EM. Sahini Constantin Luca 《Journal of inclusion phenomena and macrocyclic chemistry》2001,39(3-4):269-271
The kinetics of oxidation of amino acids (Arg, His, Lys, Phe, Thr and Tyr), a dipeptide (Gly-His), and BSA (bovine serum albumin) by two persistent water soluble free radicals of the hydrazyl type has been studied.The rate decreases in the order Arg>Lys>Tyr>Thr>HisBSAPheGly-His with bothfree radicals. Addition to the reaction mixture of - and -cyclodextrin decreases the oxidation rate, probably due to amino acidencapsulation in the cyclodextrin cavity. -Cyclodextrin protects more efficiently against oxidation than -cyclodextrin. 相似文献
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We have used a variety of microscopic techniques to reveal the structure and motion of flux line arrangements, when the flux
lines in low T
c type II superconductors are caused to move by a transport current. Using small-angle neutron scattering by the flux line
lattice (FLL), we are able to demonstrate directly the alignment by motion of the nearest-neighbor FLL direction. This tends
to be parallel to the direction of flux line motion, as had been suspected from two-dimensional simulations. We also see the
destruction of the ordered FLL by plastic flow and the bending of flux lines. Another technique that our collaboration has
employed is the direct measurement of flux line motion, using the ultra-high-resolution spectroscopy of the neutron spin-echo
technique to observe the energy change of neutrons diffracted by moving flux lines. The muon spin rotation (μSR) technique gives the distribution of values of magnetic field within the FLL. We have recently succeeded in performing
μSR measurements while the FLL is moving. Such measurements give complementary information about the local speed and orientation
of the FLL motion. We conclude by discussing the possible application of this technique to thin film superconductors. 相似文献
6.
Locked by Design: A Conformationally Constrained Transglutaminase Tag Enables Efficient Site‐Specific Conjugation
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Dr. Vanessa Siegmund Dr. Stefan Schmelz Stephan Dickgiesser Jan Beck Aileen Ebenig Heiko Fittler Dr. Holm Frauendorf Dr. Birgit Piater Dr. Ulrich A. K. Betz Dr. Olga Avrutina Dr. Andrea Scrima Prof. Dr. Hans‐Lothar Fuchsbauer Prof. Dr. Harald Kolmar 《Angewandte Chemie (International ed. in English)》2015,54(45):13420-13424
Based on the crystal structure of a natural protein substrate for microbial transglutaminase, an enzyme that catalyzes protein crosslinking, a recognition motif for site‐specific conjugation was rationally designed. Conformationally locked by an intramolecular disulfide bond, this structural mimic of a native conjugation site ensured efficient conjugation of a reporter cargo to the therapeutic monoclonal antibody cetuximab without erosion of its binding properties. 相似文献
7.
15N or 18O from organic compounds must be converted into substances suitable for infra-red analysis via ammonia or water, respectively. NH3 can be reacted quantitatively in the mmole scale with sulphochlorides or halonitrobenzenes; H2O adds quantitatively to carbodiimides or inamines. The shifts of some IR-absorption bands of the labelled reaction products are given. The dependence of the carbonyl adsorbancy of N,N′-di-p-tolyl-urea on the 18O-content is demonstrated. Prom the amplitude of the N-H-absorption in difference spectra of 15N-2,4-dinitro-aniline samples against 14N-2,4-dinitroaniline a calibration curve is obtained, which can be used for determining the 15N content of test substances. The scope of the method is discussed. 相似文献
8.
S Rosenfeldt F Lüdel C Schulreich T Hellweg A Radulescu J Schmelz H Schmalz L Harnau 《Physical chemistry chemical physics : PCCP》2012,14(37):12750-12756
Triblock terpolymers exhibit a rich self-organization behavior including the formation of fascinating cylindrical core-shell structures with a phase separated corona. After crystallization-induced self-assembly of polystyrene-block-polyethylene-block-poly(methyl methacrylate) triblock terpolymers (abbreviated as SEMs = Styrene-Ethylene-Methacrylates) from solution, worm-like core-shell micelles with a patchy corona of polystyrene and poly(methyl methacrylate) were observed by transmission electron microscopy. However, the solution structure is still a matter of debate. Here, we present a method to distinguish in situ between a Janus-type (two faced) and a patchy (multiple compartments) configuration of the corona. To discriminate between both models the scattering intensity must be determined mainly by one corona compartment. Contrast variation in small-angle neutron scattering enables us to focus on one compartment of the worm-like micelles. The results validate the existence of the patchy structure also in solution. 相似文献
9.
By the reaction of 4-dimethylaminomethylene-3-methyl-1-phenylpyrazol-5-one (3) with methylene compounds like malonodinitrile, cyanoacetamide and alkyl cyanoacetate a number of different substituted title compounds may be prepared. The mechanism of this reaction is illucidated by isolation of the intermediate ethenyl compounds7, 8, 11, 14 and16. The reaction therefore is best described as a sequence of addition, elimination and cyclisation with partial hydrolysis.
6. Mitt.:H.-H. Otto undO. Rinus, Arch Pharm. (Weinheim)312, 548 (1979). 相似文献
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