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Mykhaylo Tyomkyn 《Discrete Mathematics》2009,309(20):5963-5967
Bonato and Tardif [A. Bonato, C. Tardif, Mutually embeddable graphs and the tree alternative conjecture, J. Combinatorial Theory, Series B 96 (2006), 874-880] conjectured that the number of isomorphism classes of trees mutually embeddable with a given tree T is either 1 or infinite. We prove the analogue of their conjecture for rooted trees. We also make some progress towards the original conjecture for locally finite trees and state some new conjectures. 相似文献
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Xu C Losytskyy MY Kovalska VB Kryvorotenko DV Yarmoluk SM McClelland S Bianco PR 《Journal of fluorescence》2007,17(6):671-685
The dimeric cyanine dyes, YOYO-1 and TOTO-1, are widely used as DNA probes because of their excellent fluorescent properties.
They have a higher fluorescence quantum yield than ethidium homodimer, DAPI and Hoechst dyes and bind to double-stranded DNA
with high affinity. However, these dyes are limited by heterogeneous staining at high dye loading, photocleavage of DNA under
extended illumination, nicking of DNA, and inhibition of the activity of DNA binding enzymes. To overcome these limitations,
seven novel cyanine dyes (Cyan-2, DC-21, DM, DM-1, DMB-2OH, SH-0367, SH1015-OH) were synthesized and tested for fluorescence
emission, resistance to displacement by Mg2+, and the ability to function as reporters for DNA unwinding. Results show that Cyan-2, DM-1, SH-0367 and SH1015-OH formed
highly fluorescent complexes with dsDNA. Of these, only Cyan-2 and DM-1 exhibited a large fluorescence enhancement in buffers,
and were resistant to displacement by Mg2+. The potential of these two dyes to function as reporter molecules was evaluated using continuous fluorescence, DNA helicase
assays. The rate of DNA unwinding was not significantly affected by either of these two dyes. Therefore, Cyan-2 and DM-1 form
the basis for the synthesis of novel cyanine dyes with the potential to overcome the limitations of YOYO-1 and TOTO-1. 相似文献
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Volodymyr Buturlim Michał Falkowski Mykhaylo Paukov Oleksandra Koloskova Daria Drozdenko Milan Dopita 《哲学杂志》2019,99(15):1881-1898
Uranium Laves phase UTi2 does not exist in a pure form, but can be stabilised by the presence of hydrogen, which can be absorbed in concentration exceeding 5?H atoms/f.u. Low temperature specific heat, magnetic susceptibility, and resistivity indicate that UTi2H5 is a spin fluctuator close to the verge of magnetic ordering. Its susceptibility follows at high temperatures the Curie–Weiss law with U effective moment µeff[ ?= 3.1?µB/U and paramagnetic Curie temperature Θp = ?200 K. The temperature dependence of specific heat exhibits a pronounced and weakly field dependent upturn in Cp/T versus T below 10 K reflecting the effect of spin fluctuations. It can be described by an additional T½ term. The Sommerfeld coefficient γ = 256?mJ/mol K2 classifies the compound as a mid-weight heavy fermion. Spin fluctuations are affecting also electrical and thermal transport and thermoelectric power, which all resemble UAl2. A lattice anomaly at ≈ 240?K, attributed to the melting of hydrogen sublattice, reflects in most of bulk properties. 相似文献
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Shelby E. Stavretis Duncan H. Moseley Fan Fei Hui-Hui Cui Dr. Yongqiang Cheng Dr. Andrey A. Podlesnyak Dr. Xiaoping Wang Dr. Luke L. Daemen Dr. Christina M. Hoffmann Dr. Mykhaylo Ozerov Zhengguang Lu Prof. Komalavalli Thirunavukkuarasu Dr. Dmitry Smirnov Tieyan Chang Dr. Yu-Sheng Chen Dr. Anibal J. Ramirez-Cuesta Prof. Xue-Tai Chen Prof. Zi-Ling Xue 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(69):15846-15857
Large separations between ground and excited magnetic states in single-molecule magnets (SMMs) are desirable to reduce the likelihood of spin reversal in the molecules. Spin-phonon coupling is a process leading to magnetic relaxation. Both the reversal and coupling, making SMMs lose magnetic moments, are undesirable. However, direct determination of large magnetic states separations (>45 cm−1) is challenging, and few detailed investigations of the spin-phonon coupling have been conducted. The magnetic separation in [Co(12-crown-4)2](I3)2(12-crown-4) ( 1 ) is determined and its spin-phonon coupling is probed by inelastic neutron scattering (INS) and far-IR spectroscopy. INS, using oriented single crystals, shows a magnetic transition at 49.4(1.0) cm−1. Far-IR reveals that the magnetic transition and nearby phonons are coupled, a rarely observed phenomenon, with spin-phonon coupling constants of 1.7–2.5 cm−1. The current work spectroscopically determines the ground–excited magnetic states separation in an SMM and quantifies its spin-phonon coupling, shedding light on the process causing magnetic relaxation. 相似文献
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Autschbach J Jensen L Schatz GC Tse YC Krykunov M 《The journal of physical chemistry. A》2006,110(7):2461-2473
The optical rotations for six organic molecules (verbenone, fenchone, camphor, nopinone, Tr?ger's base, dimethyl-cyclopropane) and the transition metal complex [Co(en)(3)](3+) were calculated as a function of wavelength using time-dependent density functional theory (TDDFT). In the calculations, a realistic behavior of the optical rotation in the vicinity of an electronic transition was obtained by using a phenomenological damping parameter of the order of 0.2 eV (0.007 au). In comparison with experiment, for the molecules studied here the sign and order of magnitude of the optical rotation as well as the excitation energies were reasonably well reproduced in most computations. These findings apply to the investigated wavelength ranges typically between about 200 and 650 nm even when using comparatively small basis sets. Such calculations might therefore routinely be applied to help assigning the absolute configurations of chiral molecules. Supplementary calculations of the circular dichroism (CD) and comparison with experimental CD were used for further assessment of the optical rotation calculations. In particular, a combined study of optical rotation and CD turned out to be useful in cases where the optical rotatory dispersion in a specific energy range exhibits a considerable blue or red shift or where it is difficult to reproduce because of an interplay of several competing Cotton effects. The influence of basis set, density functional, and the damping parameter was also investigated. 相似文献
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A comparison of two theoretical methods based on time-dependent density functional theory for the calculation of the linear dispersive and absorptive properties of chiral molecules has been made. For this purpose, a recently proposed computational method for the calculation of circular dichroism (CD) spectra from the imaginary part of the optical rotation parameter has been applied to six rigid organic molecules. The results have been compared to the CD spectra obtained from the rotatory strengths and from the Kramers-Kronig transformation of optical rotatory dispersion (ORD) curves. We have also investigated a criterion based on the Kramers-Kronig integration formula to determine a number of excitations in truncated CD spectra which may yield a reasonable low frequency resonant ORD. It has been tested by calculating the ORD from the sum-over-states formula both in the nonresonant and resonant regions. Finally, we have applied these methods to model the resonant optical activity of proline at low pH. 相似文献
28.
Kovalska VB Volkova KD Losytskyy MY Tolmachev OI Balanda AO Yarmoluk SM 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2006,65(2):271-277
The influence of methyl-, 2-hydroxyethyl-, dimethyl-, diethyl- and benzoyl-amino substituents in the 6,6'-positions of benzothiazole heterocycle of trimethine cyanines on their spectral-luminescent properties and behavior in presence of DNA, RNA and BSA was studied. It was shown that incorporation of 6,6'-substituents generally leads to the increase in dyes tendency to aggregation, resulting in the considerable decrease in the emission intensity of the disubstituted dyes as compared to the unsubstituted ones. Emission of the studied 6,6'-disubstited dyes in DNA presence is considerably more intensive than in presence of RNA, that points on the existing of DNA binding preference for the mentioned dyes. Insertion of benzoyl-amino groups into the 6,6'-positions permitted us to design the DNA-sensitive dyes on the basis of symmetric trimethine cyanines with unsubstituted polymethine chain, while typically such dyes slightly respond on the presence of biopolymers. 6,6'-Benzoyl-amino-disubstituted trimethine cyanines are proposed as efficient dyes for DNA detection. 相似文献
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[reaction: see text] Ohmefentanyl binds to the rat mu-opiod receptor via two dipeptide sequences (Trp-His and Asp-Tyr) that are separated by 170 residues. A turn-inducing tripeptide, Pro-Aib-Aib, holds the dipeptides in a conformation that binds the narcotic (K(b) = 7.1 x 10(4) M(-)(1)) in THF. Binding is specific for ohmefentanyl over morphine and is accompanied by a conformational change in the heptapeptide host. Control experiments with a Gly-Gly-Gly tripeptide linking the dipeptides show no evidence of binding. 相似文献
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