In the current review of the journal Structural Chemistry, the contents of the issues 1–3 for the calendar year 2012 are related to thermochemistry. A brief thermochemical commentary is added to the summary of each article. 相似文献
Biphenyl derivative N-allyl-N′-(4′-nitro[1,1′-biphenyl]-4-yl)thiourea (BP1) was synthesized as a functional fluorescent sensor for protons and their photophysical properties were studied. The influence of environment protonation on photophysical properties of the biphenyls in solutions was investigated using UV absorption, steady-state and time-resolved fluorescence spectroscopy. Semi-empirical and DFT calculations and optimization of the molecular structure of the biphenyl derivatives in vacuum, in polar solvents and in a proton-rich environment were conducted using the HyperChem, Amsol and Gaussian3 software package. Fluorescence quenching with addition of acidic acid was observed and the Stern-Volmer quenching rate constant was about 3.0×109 M−1 s−1. Intermolecular hydrogen bonds formations by the protons with the sulphur being substituted to the biphenyls generate charge movement and strong increase (×5) of the dipole moment of the fluorophore. 相似文献
The electrochemical oxidation of coumaric acid, a biorefractory compound present in several industrial waste waters, has been investigated by use of Pt-Ti anodes and at electrolyte concentration (0.02 N NaCl or Na2SO4) low enough to allow direct dischargeability of the waste water into superficial water basins according to the Italian law (DL 152/11-5-99). Particularly, the role of the electrolyte over the conversion rate has been assessed. The obtained results show that the oxidation process should take place both at the electrode surface and in the bulk of the solution, via electrochemically-generated oxidising species (H2O2, persulfates, Cl2, NaClO). The faster coumaric acid abatement rates were found with chloride based electrolytes, which, however, lead to the formation of non-biodegradable small-molecular-weight chlorinated hydrocarbons. 相似文献
The crystal and molecular structure of the title compound, (C4H12N)2[Mo6O19]·H2O, has been determined from X‐ray diffraction data. The polyoxoanion [Mo6O19]2? is built up from six distorted MoO6 octahedra sharing common edges and one common vertex at the central O atom, and has crystallographic m3m (Oh) symmetry. The cation has crystallographic 3m symmetry. 相似文献
Liquid chromatography with diode-array detection has been used for simultaneous analysis of eight water-soluble synthetic colorants (E102, E104, E110, E122, E124, E129, E131, and E133) in non-alcoholic beverages. The colors were separated in 15 min on a C18 reversed-phase column with a linear mobile phase gradient prepared from tetrabutylammonium hydrogen sulfate, methanol, and deionized water. The analytical characteristics of the separation were evaluated. Good linearity (r2 = 0.9988–0.9999), adequate limits of quantification, and high recovery (from 96.3 to 98.5%) were achieved. The method was used for analysis of 57 samples of soft drinks. The experimental results showed the colorants were present in 34 of the samples, and confirmed the method is sensitive, rapid, precise, and suitable for routine analysis of synthetic organic dyes.
RNA viruses display the highest replication error rate in our biosphere, leading to highly diverse viral populations termed quasispecies. The gold standard method for detection and quantification of variants in a quasispecies is cloning and sequencing, but it is expensive, laborious and time consuming. Therefore, other mutation detection approaches, including SSCP, are often used. In this study, we demonstrate development and the usage of a CE‐SSCP method for quantification of two nearly identical viral variants in heterogenic population of a mumps virus strain and its comparison to RFLP‐CE‐fragment length analysis (RFLP‐CE‐FLA). Analyzed PCR fragments were of the same size (245 bp) with one difference in their nucleotide sequence. The limit of detection of both methods was at 5% of the minor variant. When PCR amplicons of the two variants were pooled, methods' results were very similar. On the contrary, the quantification results of samples in which variants were mixed prior to PCR showed substantial difference between the two methods. Our results indicate that although both methods can be used for detection and monitoring of a specific mutation within a viral population, caution should be taken when quantitative analysis of complex samples is based solely on results of one method. 相似文献
Non‐heme (L)FeIII and (L)FeIII‐O‐FeIII(L) complexes (L=1,1‐di(pyridin‐2‐yl)‐N,N‐bis(pyridin‐2‐ylmethyl)ethan‐1‐amine) underwent reduction under irradiation to the FeII state with concomitant oxidation of methanol to methanal, without the need for a secondary photosensitizer. Spectroscopic and DFT studies support a mechanism in which irradiation results in charge‐transfer excitation of a FeIII?μ‐O?FeIII complex to generate [(L)FeIV=O]2+ (observed transiently during irradiation in acetonitrile), and an equivalent of (L)FeII. Under aerobic conditions, irradiation accelerates reoxidation from the FeII to the FeIII state with O2, thus closing the cycle of methanol oxidation to methanal. 相似文献