共查询到20条相似文献,搜索用时 15 毫秒
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MacNaughton JB Wilks RG Lee JS Moewes A 《The journal of physical chemistry. B》2006,110(37):18180-18190
We present a comparison between experimental and theoretical X-ray absorption spectroscopy (XAS) and X-ray emission spectroscopy (XES) of 5-fluorouracil compounds, with an emphasis on the effects of the inclusion of nickel in the structure. By focusing on the 1s thresholds of carbon, nitrogen, oxygen, and fluorine it was possible to provide a complete picture of the occupied and unoccupied partial density of states of the 5-fluorouracil systems. Spectra calculated using density functional theory are compared to experimental results. Most experimental results agree well with our theoretical calculations for the XAS and XES of the compounds. All spectral features are assigned. Our results reveal that the nickel in the compound is coordinated with the nitrogen sites of the 5-fluorouracil ligands. 相似文献
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M. N. Usacheva I. V. Drozdenko V. V. Osipov I. I. Dilung 《Theoretical and Experimental Chemistry》1991,26(4):424-430
The effect of the electronic structure of aromatic (anthracene) and heteroaromatic (phenazine, acridine, 9-methyl-1,2-benzacridine) compounds on the mechanism of the formation of exciplexes with N,N-dimethylaniline and their further transformations in media with various polarities was investigated by the quenching of the fluorescence of the exciplex. It was shown that for heteroaromatic compounds characterized by a substantial contribution from the n* electronic configuration to the lowest excited singlet state, in contrast to aromatic compounds, the exciplex is formed in two stages, i.e., nonequilibrium Franck-Condon and equilibrium stages. The photodissociation processes for these systems in polar media also take place from a non-equilibrium state. The important role of the steric configuration of the components of the exciplex in its relaxation process was also noticed.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 26, No. 4, pp. 448–454, July–August, 1990. 相似文献
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Tatsuro Ouchi Hirotoshi Fujie Satoshi Jokei Yoshiomi Sakamoto Hidenori Chikashita Takeshi Inoi Otto Vogl 《Journal of polymer science. Part A, Polymer chemistry》1986,24(9):2059-2074
Acryloyl-type polymer fixing 1-β-carbonylethyl-5-fluorouracil residues through D -glucofuranoses via ester bonds was synthesized by means of polymerization of the corresponding monomer and polymer reaction. In order to provide the water-soluble objective polymer, the copolymerization of the acryloyl-type monomer with acrylamide was carried out. The extent of release of 5-FU residues from the copolymer was investigated in the enzyme or nonenzyme system in vitro. Furthermore, the antitumor activities of the water-insoluble homopolymer and water-soluble copolymer obtained were tested in vivo. 相似文献
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1-(Nitroxylureido)-5-fluorouracils were obtained by the reaction of isocyanatonitroxyl radicals with 5-fluorouracil or aminonitroxyl radicals with 5-fluoro-1-(chloroformyl)-uracil.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 10, pp. 2319–2322, October, 1989. 相似文献
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《Journal of Electroanalytical Chemistry》2000,490(1-2)
The redox reaction of 5-fluorouracil (FU) at a hanging mercury drop electrode (HMDE) is studied by means of square-wave voltammetry (SWV). It is demonstrated that the redox reaction proceeds according to the scheme: L2−(aq)L2−(ads)+Hg(l)HgL(s)+2e−, which involves both chemisorption of FU on the electrode surface and creation of a sparingly soluble compound with the electrode material. The overall response exhibits properties of a surface process in which both the reactant and the product of the redox reaction are immobilized on the electrode surface. The square-wave voltammetric response of FU possesses features typical of surface confined processes such as ‘split SW peaks’ and a ‘quasi-reversible maximum’. The proposed electrode mechanism is studied theoretically. The numerically calculated response under conditions of SWV is in qualitative agreement with the experimental data. Comparing the theoretical and the experimental data, the kinetic parameters of the redox reaction investigated are estimated. The standard rate constant appears to be within the interval 54≤ks/s−1≤108, the adsorption constant is K=10 cm−1, and the transfer coefficient is α=0.54±0.01. The effect of the Cu(II) ions on the adsorptive SWV response of FU is discussed from an analytical point of view. It is demonstrated that SWV is a particularly appealing technique, which enables determination of FU at an ultra-trace concentration level. A linear calibration plot was established at 10−11 mol l−1 concentration level with a correlation coefficient of R2=0.992. The detection limit is 7.7×10−12 mol l−1. The reproducibility of the results in terms of the relative standard deviation ranges from 0.9 to 3.2%. 相似文献
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Determination of 5-fluorouracil in hospital effluents 总被引:1,自引:0,他引:1
Mahnik SN Rizovski B Fuerhacker M Mader RM 《Analytical and bioanalytical chemistry》2004,380(1):31-35
Cytostatic anticancer drugs are an increasingly important issue in the environmental debate, mainly due to the lack of knowledge about the fate of these toxic substances. Over the last decades, 5-fluorouracil (5-FU) has been one of the most frequently used antineoplastic agents and may, therefore, be regarded as one of the pilot substances for environmental contamination. As a prerequisite for these investigations, a method for the determination of 5-FU in hospital effluents has been developed. Waste water samples were enriched by solid-phase extraction on ENV+ columns (concentration factor 500) and analysed by capillary electrophoresis using a buffer containing 80% 160 mM sodium borate buffer (pH 9.5) and 20% acetonitrile (v/v). This method is applicable within the range 5–500 g 5-FU L–1. The standard curve (correlation coefficient >0.99) was linear with recovery rates from 80 to 96% and an accuracy from 9.0 to 20% (intra-assay standard deviation 0.7–8.9%; inter-assay standard deviation 2.2–9.5%). Based on the consumption of 5-FU in oncologic departments and the detection limit of 1.7 g L–1, this method covers the range necessary to evaluate 5-FU in hospital effluents. The applicability of the method was proven by chemical analysis of real hospital waste water samples. Obtained over a time period of 1 month (range 20–122 g 5-FU L–1), the results were similar to those calculated by an input–output model. The presented method provides an analytical tool necessary to face the monitoring of environmental contamination problems.Abbreviations 5-FU
5-Fluorouracil - OECD
Organization for economic cooperation and development 相似文献
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5-Fluorouracil is an artificial nucleobase analog of thymine and uracil, with a substituent in the 5-position that has a mass similar to the methyl group in thymine, but very different electronic, steric and vibrational coupling properties. UVC irradiation of 5-fluorouracil dideoxyribonucleoside monophosphate (dXpdX) is examined here with mass spectrometry and UV-Vis absorption spectroscopy and is compared to the UV photochemistry of other pyrimidine dideoxyribonucleoside monophosphates. The results show that the photochemical products and kinetics of dXpdX are similar to those of uracil dideoxyribonucleoside monophosphate and similar to those of the isolated 5-fluorouracil nucleobase. The photochemistry of dXpdX is compared to the photochemistry of thymine and uracil dideoxyribonucleoside monophosphates. 相似文献
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5-Fluorouracil is an analogue of thymine and uracil, nucleobases found in DNA and RNA, respectively. The photochemistry of thymine is significant; UV-induced photoproducts of thymine in DNA lead to skin cancer and other diseases. In previous work, we have suggested that the differences in the excited-state structural dynamics of thymine and uracil arise from the methyl group in thymine acting as a mass barrier, localizing the vibrations at the photochemical active site. To further test this hypothesis, we have measured the resonance Raman spectra of 5-fluorouracil at wavelengths throughout its 267 nm absorption band. The spectra of 5-fluorouracil and thymine are very similar. Self-consistent analysis of the resulting resonance Raman excitation profiles and absorption spectrum using a time-dependent wave packet formalism suggests that, at most, 81% of the reorganization energy upon excitation is directed along photochemically relevant modes. This compares well with what was found for thymine, supporting the mass barrier hypothesis. 相似文献
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Both nicotinamide adenine dinucleotide (NAD+) and acid-hydrated NADH, as well as adenine, adenosine, adenosine mono-, di-, and tri-phosphate and adenosine diphosphoribose, undergo four-electron reductions of the protonated adenine ring in acidic media. The values of αna (transfer coefficient times the number of electrons involved in the rate-determining step), n (total number of electron transferred), and p (number of protons involved in the rate-determining step) agree well with values previously reported for adenine. Cathodic stripping voltammetry of an adsorbed film can be applied to these compounds. Rapid scan rates are required to eliminate the slow desorption step at ?1.1 V vs. SCE for some of these compounds. Hydration of the nicotinamide ring of NADH appears to inhibit this desorption step, but does not appear to be related directly to the electroactivity of the hydration product. 相似文献
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S. S. Ostakhov M. V. Sultanbaev S. L. Khursan N. M. Shishlov Yu. A. Lebedev R. R. Kinzyabulatov 《High Energy Chemistry》2014,48(5):330-336
Fluorescence and photochemical processes in crystalline 5-fluorouracil (FU) were studied. It has been found by the spectral, luminescent, and ESR methods that upon photoirradiation of FU photoinduced electron and proton transfers occur, leading to the formation of three hydroxo tautomers and radical ion pairs, which are stabilized by the crystal matrix and luminesce with the emission wavelengths of 375, 415, 455 nm, and 530, 555 nm, respectively. 相似文献
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The interaction of an anticancer drug, 5-fluorouracil with sodium carboxymethylcellulose in aqueous solution was studied with a spectral method and viscosity measurement. From the binding data, the standard molar change in enthalpy, entropy and the number of binding sites on polymer were calculated. The standard molar change of enthalpy of 5-fluorouracil is about — 7 Kcal/mol with sodium carboxymethylcellulose. The enthalpy change is a considerably greater. 相似文献
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A series of six novel 5-fluorouracil derivatives 1-6 were synthesized and their structures confirmed by (1)H- and (13)C-NMR, MS and elemental analysis. The preliminary in vitro antitumor activities against B16, K562 and CHO cells and the in vivo inhibitions of liver cancer H(22) demonstrated that some of these compounds effectively inhibit the growth of tumor cells, but the in vivo trials in mice revealed that the compounds also exhibited serious liver and lung tissue toxicity. The hydrolysis experiments indicated that this type of compound did not readily liberate 5-fluorouracil, as expected. 相似文献