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O.N. Ulenikov G.A. Onopenko V.A. Kozinskaia E.A. Zhabina H. BürgerW. Jerzembeck 《Journal of Molecular Spectroscopy》2002,213(1):15-27
High-resolution Fourier transform spectra of HD80Se in the region of the ν1+ν3, 2ν2+ν3, 2ν1+ν2, 3ν1, and ν2+2ν3 absorption bands, with centers located between 4000 and 5500 cm−1, were recorded and rovibrationally analyzed. Energies of the (101), (021), (210), (300), and (012) states, together with those of the formerly reported (010), (100), (020), (001), (120), (110), (030), (011), (200), (002), and (003) states, were jointly used as input information in a “global fit” procedure. This fit provided 161 spectroscopic parameters which reproduce 3323 observed energies with accuracies close to experimental uncertainties. These parameters are compared with those predicted from H2Se. Moreover, experimental band centers for HSeD are compared with those calculated theoretically. 相似文献
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Eleanor L. Atkinson Jessica Iegre Paul D. Brear Elizabeth A. Zhabina Marko Hyvnen David R. Spring 《Molecules (Basel, Switzerland)》2021,26(7)
Protein kinases are a large class of enzymes with numerous biological roles and many have been implicated in a vast array of diseases, including cancer and the novel coronavirus infection COVID-19. Thus, the development of chemical probes to selectively target each kinase is of great interest. Inhibition of protein kinases with ATP-competitive inhibitors has historically been the most widely used method. However, due to the highly conserved structures of ATP-sites, the identification of truly selective chemical probes is challenging. In this review, we use the Ser/Thr kinase CK2 as an example to highlight the historical challenges in effective and selective chemical probe development, alongside recent advances in the field and alternative strategies aiming to overcome these problems. The methods utilised for CK2 can be applied to an array of protein kinases to aid in the discovery of chemical probes to further understand each kinase’s biology, with wide-reaching implications for drug development. 相似文献
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Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Kozinskaia VA 《Journal of Molecular Spectroscopy》2000,203(1):132-139
High-resolution Fourier transform spectra of HDSe in the region of the 2nu(3) and 3nu(3) bands were recorded and analyzed for five different (M)Se isotopic HDSe species. Energies obtained from rovibrational analyses of the (002) and (003) states, together with those taken of the (001) state from an earlier study [O. N. Ulenov, G. A. Onopenko, N. E. Tyabaeva, H. Bürger, and W. Jerzembeck, J. Mol. Spectrosc. 198, 27-39 (1999)], were used as input information for a "Global Fit" procedure. This fit provided 34 spectroscopic parameters for the HD(80)Se species which reproduced rotational-vibrational transitions of the (001), (002), and (003) states within experimental accuracy. Corresponding analyses were performed for the other (M)Se (M = 82, 78, 77, and 76) species. Copyright 2000 Academic Press. 相似文献
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A. A. Zhabina E. L. Krasnykh S. V. Levanova 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2014,88(9):1590-1593
Retention characteristics, temperature dependences of the retention characteristics, and thermodynamic characteristics of sorption on the nonpolar OV-101 phase are determined for 33 glycerol mono-, di-, and triethers with linear and branched monobasic alcohols containing one to five carbon atoms in the temperature range of 100–180°C. 相似文献
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Analysis of the Vibrational-Rotational Structure of 2ν1, ν1 + ν3, and 2ν3 Bands of the D2Se Molecule
Zhabina E. A. Onopenko G. A. Ulenikov O. N. Burger G. Jerzembeck W. 《Russian Physics Journal》2002,45(5):483-487
The absorption spectrum of the D2Se molecule in the region of 21, 1 + 3, and 23 absorption bands is registered with a high-resolution Fourier spectrometer and is studied theoretically for a Hamiltonian model with allowance for resonant interactions among (200), (101), and (002) vibrational states. 相似文献
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Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Petrunina OL 《Journal of Molecular Spectroscopy》2000,202(2):229-248
For the first time, high-resolution Fourier transform spectra of HDSe in the region of the three polyads, nu(1)/2nu(2), nu(1) + nu(2)/3nu(2), and 2nu(1)/nu(1) + 2nu(2)/nu(2) + nu(3), have been recorded and analyzed. Combined with an earlier investigation of the nu(2) band, and including estimates for the unobserved "dark" 4nu(2) band, these levels were subjected to a "Global Fit," which makes use of relations between parameters within the different polyads. Since there are five isotopic species present in natural HD(M)Se (M = 82, 80, 78, 77, 76), altogether 34 vibration-rotation bands have been studied in the present contribution. The parameters determined by the Global Fit reproduce upper vibrational-rotational energies of all these bands with accuracies close to experimental precision. Copyright 2000 Academic Press. 相似文献
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Based on the experimental data on the basic and deuterosubstituted modifications of the hydrogen selenide molecule, its structural parameters and the parameters of the intramolecular potential function are calculated. 相似文献
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Zhabina A. A. Krasnykh E. L. 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2017,91(12):2453-2457
Russian Journal of Physical Chemistry A - Gas chromatography is used to study the sorption characteristics and retention of a series of mono-, di-, and triethylene glycol ethers on nonpolar phase... 相似文献
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Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Yuhnik YB 《Journal of Molecular Spectroscopy》2000,204(2):195-203
High-resolution Fourier transform spectra of the D(2)(M)Se with M = 76, 77, 78, 80, and 82 in the regions of the first and second bending overtones 2nu(2) and 3nu(2) near 1480 and 2210 cm(-1), respectively, were recorded for the first time and assigned. On the basis of these experimental data, rotation-vibration energies were determined and fitted together with those of the (010) state reported earlier (W. Jerembeck, H. Bürger, J.-M. Flaud, and Ph. Arcas, J. Mol. Spectrosc. 197, 215-221 (1999)) by using the "Global Fit" procedure. The obtained set of 43 fitted parameters for these three vibrational states of the D(2)(80)Se species (altogether 86 fitted parameters for 12 states of five M species) reproduces the rotation-vibration energies of all studied states with accuracies close to experimental uncertainties. Copyright 2000 Academic Press. 相似文献
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