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排序方式: 共有173条查询结果,搜索用时 281 毫秒
41.
Dr. Morten Jensen Dr. Rikke Kristensen Dr. Sissel S. Andersen Dan Bendixen Prof. Dr. Jan O. Jeppesen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(28):6165-6175
A tetra-stable donor–acceptor [2]rotaxane 1 ⋅4PF6 has been synthesized. The dumbbell component is comprised of an oxyphenylene (OP), a tetrathiafulvalene (TTF), a monopyrrolo-TTF (MPTTF), and a hydroquinone (HQ) unit, which can act as recognition sites (stations) for the tetra-cationic cyclophane cyclobis(paraquat-p-phenylene) (CBPQT4+). The TTF and the MPTTF stations are located in the middle of the dumbbell component and are connected by a triethylene glycol (TEG) chain in such a way that the pyrrole moiety of the MPTTF station points toward the TTF station, while the TTF and MPTTF stations are flanked by the OP and HQ stations on their left hand side and right hand side, respectively. The [2]rotaxane was characterized in solution by 1H NMR spectroscopy and cyclic voltammetry. The spectroscopic data revealed that the majority (77 %) of the tetra-stable [2]rotaxane 1 4+ exist as the translational isomer 1 ⋅MPTTF4+ in which the CBPQT4+ ring encircles the MPTTF station. The electrochemical studies showed that CBPQT4+ in 1 ⋅MPTTF4+ undergoes ring translation as result of electrostatic repulsion from the oxidized MPTTF unit. Following tetra-oxidation of 1 ⋅MPTTF4+, a high-energy state of 1 8+ was obtained (i.e., 1 ⋅TEG8+) in which the CBPQT4+ ring was located on the TEG linker connecting the di-oxidized TTF2+ and MPTTF2+ units. 1H NMR spectroscopy carried out in CD3CN at 298 K on a chemically oxidized sample of 1 ⋅MPTTF4+ revealed that the metastable state 1 ⋅TEG8+ is only short-lived with a lifetime of a few minutes and it was found that 70 % of the positively charged CBPQT4+ ring moved from 1 ⋅TEG8+ to the HQ station, while 30 % moved to the much weaker OP station. These results clearly demonstrate that the CBPQT4+ ring can cross both an MPTTF2+ and a TTF2+ electrostatic barrier and that the free energy of activation required to cross MPTTF2+ is ca. 0.5 kcal mol−1 smaller as compared to TTF2+. 相似文献
42.
Gert H. Kristensen Morten M. Klausen Vagn A. Hansen Frants R. Lauritsen 《Rapid communications in mass spectrometry : RCM》2010,24(1):30-34
To study the long‐term dynamics of trihalomethanes (THMs) in a warm (31–33°C) public swimming pool, we built a robust membrane inlet mass spectrometer that could perform unsupervised, on‐site monitoring of the concentration of these compounds with off‐site, real‐time surveillance. The instrument was installed in a technical room below the pool and operated continuously for more than a year practically only interrupted for filament replacements every 6–8 weeks. One to two days after a filament replacement, the instrument stabilized and kept its calibration until shortly before the next filament burnout. The on‐line monitoring of THMs revealed a daily rhythm in the concentrations of chloroform and bromodichloromethane. They increased during the pool's closing hours and decreased during opening hours with the minimum concentration being approximately half of the maximum. Over the 1 year monitoring period, the variation in the maximum registered daily concentration was 30–100 µg/L for chloroform. The variation of bromodichloromethane was 5–10 µg/L, except during bursts of 1–2 days duration, where the concentration of bromodichloromethane could reach 100 µg/L. The burst in bromodichloromethane concentration was directly correlated with salt addition (sodium chloride) to the pool water for use in the pool's electrolytic in‐line chlorination system. A correlation between THM removal from the pool water and the operation of a strong water jet system was also found. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
43.
Willy Damgaard Kristensen 《Journal of Non》1976,21(3):303-318
The molecular dynamics technique was used to study the thermodynamic and structural properties of non-crystalline solid structures. The structures were obtained by quenching a model liquid consisting of 336 atoms arranged in a computational cell with periodic boundaries and with the atomic intereaction represented by the Lennard-Jones pair potential. The characteristics of the resulting non-crystalline atomic configurations were found to depend weakly on the applied quenching rate. 相似文献
44.
Jared K. Nelson Dr. Sidsel U. Frølund Dennis B. Tikhonov Dr. Anders S. Kristensen Dr. Kristian Strømgaard Prof. 《Angewandte Chemie (International ed. in English)》2009,48(17):3087-3091
More discerning than the parent : Analogues of the polyamine toxin argiotoxin 636 (shown docked in the ion channel of an ionotropic glutamate (iGlu) receptor; N blue, O red) distinguish subtypes of iGlu receptors. Depending on which of the two internal amine groups is replaced with a methylene group, the analogue inhibits one or other of two receptor subtypes as potently as the natural compound, which itself inhibits both subtypes nonselectively.
45.
Kristensen EM Larsson R Sánchez J Rensmo H Gelius U Siegbahn H 《Colloids and surfaces. B, Biointerfaces》2006,49(1):1-7
The durability and functionality of a heparin coating on artificial heart valve leaflets were evaluated with X-ray photoelectron spectroscopy (XPS) and by the coatings' capacity to bind antithrombin. Current methods for accelerated life-time testing are based on exposing leaflets to water solutions. In this paper a method is explored, in which heart valve leaflets were exposed to a continuous high shear rate (4 L/min) of human citrated plasma. It was found that the heparin coating was stable and wear resistant enough to still be present after 3 weeks and to have about the same antithrombin uptake as coatings not exposed to circulating plasma. It was, however, partly destroyed by the test as found using XPS. We suggest that heparin chains from the upper layer of heparin have been torn off from the carrier chain, in combination with loss of heparin conjugate and plasma deposition in patches. This study showed that XPS provides additional information to biological measurements such as antithrombin uptake. XPS is therefore a valuable technique not only to characterize biomaterials but also to evaluate the effect of a performance test. 相似文献
46.
The Singular Set of Minima of Integral Functionals 总被引:3,自引:0,他引:3
In this paper we provide upper bounds for the Hausdorff dimension of the singular set of minima of general variational integrals where F is suitably convex with respect to Dv and Hölder continuous with respect to (x,v). In particular, we prove that the Hausdorff dimension of the singular set is always strictly less than n, where . 相似文献
47.
With the advent of medium and large gamma detector arrays, it is now possible to look at nuclear structure at high rotational
forces. The role of pairing correlations and their eventual breakdown, along with the shell effects have showed us the interesting
physics for nuclei at high spins — superdeformation, shape co-existence, yrast traps, alignments and their dramatic effects
on nuclear structure and so on. Nuclear structure studies have recently become even more exciting, due to efforts and possibilities
to reach nuclei far off from the stability valley. Coupling of gamma ray arrays with ‘filters’, like neutron wall, charged
particle detector array, gamma ray total energy and multiplicity castles, conversion electron spectrometers etc gives a great
handle to study nuclei produced online with ‘low’ cross-sections. Recently we studied, nuclei in mass region 80 using an array
of 8 germanium detectors in conjunction with the recoil mass analyser, HIRA at the Nuclear Science Centre and, most unexpectedly
came across the phenomenon of identical bands, with two quasi-particle difference. The discovery of magnetic rotation is another
highlight. Our study of light In nucleus, 107In brought us face to face with the ‘dipole’ bands. I plan to discuss some of
these aspects. There is also an immensely important development — that of the ‘radioactive ion beams’. The availability of
RIB, will probably very dramatically influence our ‘conventional’ concept of nuclear structure. The exotic shapes of these
exotic nuclei and some of their expected properties will also be touched upon. 相似文献
48.
Unsubstituted and alkyl- or cyanosubstituted lactones such as dihydro-2(3 H)-furanone, dihydro-5-methyl-2(3 H)-furanone, dihydro-5,5-dimethyl-4-propyl-2(3 H)-furanone and tetrahydro-2,2-dimethyl-5-oxo-3furan-carbonitrile react with the dimer of p-methoxyphenylthionophosphine sulfide, 1, in anhydrous xylene or toluene to give the corresponding thionolactones, 3a-d, in good yields. Dihydro-2(3 H)-thiophenone and 1 produce dihydro-2(3 H)-thiophenthione. Aromatic lactones such as 2 H-1-benzopyran-2-one give the corresponding 2-thione. 1-Oxa-4-thiaspiro[4,5]decan-2-one, when treated with 1 at 120-125°, gave 1,4-dithiaspiro[4,5]decan-2-one and 1,4-dithias-piro[4,5]decan-2-thione. Tetrahydro-5,5-dimethyl-2-oxo-4-propyl-3-furancarboxylic acid ethyl ester reacted with 1 at 110° giving the corresponding 2-thione and 5,5-dimethyl-4-propyl-4,5-dihydrothieno[2,3-c]-1,2-dithiole-3-thione. 相似文献
49.
Ortho-substituted arylboronic esters are efficiently coupled with carbamoyl chlorides under Pd-catalysis to give tertiary benzamides. 相似文献
50.
A general problem in relation to application of Markov decision processes to real world problems is the curse of dimensionality, since the size of the state space grows to prohibitive levels when information on all relevant traits of the system being modeled are included. In herd management, we face a hierarchy of decisions made at different levels with different time horizons, and the decisions made at different levels are mutually dependent. Furthermore, decisions have to be made without certainty about the future state of the system. These aspects contribute even further to the dimensionality problem. A new notion of a multilevel hierarchic Markov process specially designed to solve dynamic decision problems involving decisions with varying time horizon has been presented. The method contributes significantly to circumvent the curse of dimensionality, and it provides a framework for general herd management support instead of very specialized models only concerned with a single decision as, for instance, replacement. The applicational perspectives of the technique are illustrated by potential examples relating to the management of a sow herd and a dairy herd. 相似文献