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71.
Mohamed E. Khalifa 《合成通讯》2020,50(17):2590-2616
Abstract Thiophenes are a highly important group of heterocycles and have been of great interest to researchers due to their various reactivities. Many synthetic strategies are used to generate functionalized thiophene derivatives. Several reactions are described, depending on the reactivity of the substituents attached to the thiophene nucleus toward different nucleophiles to yield the versatile thiophene products. Many diverse applications have been utilized for thiophenes from medicinal chemistry to material science. 相似文献
72.
凌可庆 《高等学校化学学报》1996,(6)
1,2-二氢-3H-吲哚-3-酮类化合物的光化学合成凌可庆(淮北煤炭师范学院化学系,淮北,235000)关键词吲哚衍生物,单重态氧反应,1,2-二氢-3H-吲哚-3-酮衍生物,光合成1,2-二氢-3H-吲哚-3-酮是重要的有机合成中间体,广泛用于多种... 相似文献
73.
Singlet oxygen was generated by reaction of sodium hypochlorite and hydrogen peroxide in a micro-channel. The two reagent solutions were delivered into the micro-channel by a syringe pump, providing a laminar flow liquid-liquid interface. The chemiluminescence from the singlet oxygen was emitted in the collapse of the interface due to molecular diffusion under laminar flow conditions. The chemiluminescence intensity was observed continuously and stably for each combination of reagents fed into the micro-channel; while, in the normal batch-type reactor the chemiluminescence peaks from singlet oxygen were observed within ca. 5 s. The features of the chemiluminescence emitted under laminar flow conditions were examined by changing the concentrations of sodium hypochlorite and hydrogen peroxide; the concentrations of 2.5 mM sodium hypochlorite and 7.5 mM hydrogen peroxide provided highest chemiluminescence intensities without bubble formation. Also, the effects of beverages, such as green tea, coffee, white wine, red wine, and sake (rice wine), on the chemiluminescence intensity as well as the concentrations of sodium hypochlorite and hydrogen peroxide were examined. The chemiluminescence intensities observed with addition of the beverages to the reagents decreased in the following orders; green tea > coffee > red wine > rice wine > white wine (being added to sodium hypochlorite); coffee > white wine > green tea > red wine > rice wine (being added to hydrogen peroxide). It was found that coffee decreased the chemiluminescence intensity (ca. 33% chemiluminescence decrease) without altering the concentrations of sodium hypochlorite or hydrogen peroxide. The cause of the decrease in chemiluminescence with coffee is discussed. 相似文献
74.
《Mendeleev Communications》2020,30(1):70-72
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75.
《Mendeleev Communications》2020,30(1):84-87
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76.
《Arabian Journal of Chemistry》2022,15(12):104347
The high-pressure structures and properties of MH2 (M = Nb, Ta) are explored through an ab initio evolutionary algorithm for crystal structure prediction and first-principles calculations. It is found that NbH2 undergoes a phase transition from a cubic Fmm structure with regular NbH8 cubes to an orthorhombic Pnma structure with fascinating distorted NbH9 tetrakaidecahedrons at 48.8 GPa, while the phase transition pressure of TaH2 from a hexagonal P63mc phase with slightly distorted TaH7 decahedron to an orthorhombic Pnma phase with attractive distorted TaH9 tetrakaidecahedrons is about 90.0 GPa. Besides, the calculated electronic band structure and density of states demonstrate that all of these structures are metallic. The Poisson’s ratio, electron localization function, and Bader charge analysis suggest that these phases possess dominant ionic bonding character with the effective charges transferring from the metal atom to H. From our electron–phonon calculations, the calculated superconducting critical temperature Tc of the Pnma-NbH2 is 6.903 K at 50 GPa. Finally, via the quasi-harmonic approximation method, the phase diagrams at pressure up to 300 GPa and temperature up to 1000 K of MH2 (M = Nb, Ta) are established, where the transition pressure of Fmm-NbH2 → Pnma-NbH2 and P63mc-TaH2 → Pnma-TaH2 were found to decrease with increasing temperature. 相似文献
77.
This account describes the results collected by our group during the last years on some themes of environmental/mechanistic
interest. Theoretical quantum-mechanical investigations have been carried out to help clarifying the mechanism of some oxidation
reactions, which involve mainly unsaturated but also saturated organics as substrates, and, as reactive oxidants, triplet
or singlet dioxygen, hydroxyl, ozone, and nitrogen oxides. Depending on the problem, the calculations are either multi-configurational
(as CAS-MCSCF, CAS-PT2, MC-QDPT2), or based on the Density Functional Theory for the heavier systems. Research work has thus
been developed along the following lines: hydrocarbon oxidations under atmospheric or combustion conditions; definition of
a model for soot particles and their interaction with species as HO, O2, O3, NO, NO2, NO3, etc.; investigation on the reaction mechanism of 1Δg dioxygen with organic unsaturated systems (cycloaddition and ene reactions). 相似文献
78.
Peter D. Dacre 《Theoretical chemistry accounts》1976,43(2):197-205
The direct CI method, which avoids explicit calculation of the Hamiltonian matrix, is presented in a new form. The method is linked with Davidson's algorithm for iterative evaluation of the ground state eigenvector. The viability of the method is indicated by the test calculations on water which are described. 相似文献
79.
Host-bacteria interactions have mostly been investigated with regard to the host response or to activities of pathogenic bacteria. In contrast, we aim to identify reactions of non-pathogenic bacteria that result from their contact with host cells of the gastrointestinal tract. In a proteomic approach, the response of non-pathogenic human Escherichia coli bacteria on gut epithelial cells (rat IEC-6) was investigated in an in vitro co-culture model. For this purpose, a sensitive analytical procedure was developed based on the identification of two-dimensional polyacrylamide gel electrophoresis separated proteins by online nanoLC-electrospray ionization MS/MS using a quadrupole time-of-flight tandem mass spectrometer for accurate mass determination. We demonstrate here the efficiency of this technique by the identification of a total of 43 differentially expressed proteins, out of which 25 were up-regulated and 18 were down-regulated. They represent a wide range of molecular weight and different metabolic and physiological functions. 相似文献
80.
J. M. Gaullier M. Bazin A. Valla M. Giraud R. Santus 《Journal of photochemistry and photobiology. B, Biology》1995,30(2-3)
The pyrrole-amino acid and peptide N-conjugates synthesized from tyrosine, histidine and glutathione very effectively quench the 1270 nm singlet oxygen luminescence, at rates ranging from 108 to 109 M−1 s−1. Nuclear magnetic resonance spectroscopy suggests that the electron-donating properties of the methyl groups after 2,5-dimethyl substitution on the pyrrole ring are probably an important determinant of the reactivity of singlet oxygen with the N-conjugate of glutathione. However, intramolecular interactions between the pyrrole ring and the side chain may also modulate the reactivity of the antioxidant as suggested by absorption and fluorescence spectroscopies carried out on tyrosine derivatives. Efficient fluorescence quenching of the phenol ring by the pyrrole ring occurs in the tyrosine derivatives. The reactivities of these antioxidants with 1O2 are comparable in methanol, ethanol and D2O. 相似文献