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51.
The reaction mechanism of C2H2 and N2O on the singlet potential energy surface is investigated in this study, at the B3LYP/6-311++G(3df,3pd), MP2/6-311++G(d,p), and CCSD(T) levels of theory. We have obtained three kinds of products in both methods, B3LYP and MP2, which have enough thermodynamic stability. The results reveal that the product P1, CH2CO + N2, is spontaneous and exothermic with ?86.176 and ?83.149 kcal/mol in Gibbs free energy and enthalpy of reaction at the MP2 level, respectively. Hence, the product P1 is thermodynamically the most favored adduct of the C2H2 + N2O gas phase reaction at atmospheric pressure and 298.15 K temperature. 相似文献
52.
Mahnaz Farahi Bahador Karami Iman Sedighimehr Hamideh Mohamadi Tanuraghaj 《中国化学快报》2014,25(12):1580-1582
An efficient three-component synthesis of 6-amino-4-aryl-5-cyano-3-metriyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazoles via a reaction between 3-methyl-1-phenyl-2-pyrazolin-5-one,aromatic aldehydes and malononitrile using tungstate sulfuric acid as a catalyst was described.Mild conditions,good to excellent yields,easily available catalyst and easy work-up are the key features of this method. 相似文献
53.
Molybdate sulfuric acid as a highly efficient catalyst has been employed for the modified Paal–Knorr synthesis of some novel and known pyrroles under solvent‐free conditions. Catalyst loads as low as 1 mol% could be used leading to high yields of pure pyrrole derivatives at an oil bath temperature of 60 °C. This method has advantages such as the use of very low amounts of a recyclable catalyst, avoidance of organic solvents, and high product yields. 相似文献
54.
Nahid Haghnazari Abdolhamid Alizadeh Changiz Karami Zohreh Hamidi 《Mikrochimica acta》2013,180(3-4):287-294
We describe a method for the modification of gold nanoparticles (Au-NPs) with benzo-15-crown-5 that led to the development of a colorimetric assay for Ag(I) ion. The brown color of a solution of the modified Au-NPs turns to purple on addition of Ag(I) ion. The ratio of the UV–vis absorption at 600 nm and 525 nm is proportional to the concentration of Ag(I) ions in the range from 20 to 950 nM, and the detection limit is 12.5 nM. Other metal ions do not interfere if present in up to millimolar concentrations. The method enables a rapid determination of Ag(I) in lake and drinking water and is amenable to bare-eye readout. Figure
The selective colorimetric detection of Ag+ ion using gold nanoparticles modified with benzo crown ether is reported with a color detection limit ~50 nM by naked-eye. The feasibility and simplicity of this cost-effective sensing system demonstrates great potential for the detection of sliver ion in real samples. 相似文献
55.
The closed neighborhood NG[e] of an edge e in a graph G is the set consisting of e and of all edges having an end-vertex in common with e. Let f be a function on E(G), the edge set of G, into the set {−1, 1}. If
for each e ∈ E(G), then f is called a signed edge dominating function of G. The signed edge domination number γs′(G) of G is defined as
. Recently, Xu proved that γs′(G) ≥ |V(G)| − |E(G)| for all graphs G without isolated vertices. In this paper we first characterize all simple connected graphs G for which γs′(G) = |V(G)| − |E(G)|. This answers Problem 4.2 of [4]. Then we classify all simple connected graphs G with precisely k cycles and γs′(G) = 1 − k, 2 − k.
A. Khodkar: Research supported by a Faculty Research Grant, University of West Georgia.
Send offprint requests to: Abdollah Khodkar. 相似文献
56.
Simultaneous determination of hydrazine (HZ) and thiosemicarbazide (TSC) by partial least squares (PLS) and principle component regression (PCR) was carried out based on kinetic data of novel potentiometry. The rate of chloride ion production in reaction of HZ and TSC with N‐chlorosuccinimide (NCS) was monitored by a chloride ion‐selective electrode. The experimental dada shows not only the good ability of ion‐selective electrodes (ISEs) as detectors for the direct determination of chloride ions but also for simultaneous kinetic‐potentiometric analysis using chemometrics methods. The methods are based on the difference observed in the production rate of chloride ions. The results show that simultaneous determination of HZ and TSC can be performed in their concentration ranges of 0.7‐20.0 and 0.5‐20.0 μg mL?1, respectively. The total relative standard error for applying PLS and PCR methods to 9 synthetic samples in the concentration ranges of 0.8‐10 μg mL?1 of TSC and 1.0‐12.0 μg mL?1 of HZ was 4.62 and 4.98, respectively. The effects of certain foreign ions upon the reaction rate were determined for the assessment of the selectivity of the method. Both methods (PLS and PCR) were validated using a set of synthetic sample mixtures and then applied for simultaneous determination of HZ and TSC in water samples. 相似文献
57.
Farshad?Karami Mohammadreza?KhanmohammadiEmail author Amir?Bagheri?Garmarudi 《Journal of the Iranian Chemical Society》2016,13(12):2283-2289
Desulfurization of petroleum derivatives has been one of the main concerns of producers. Application of adsorption in desulfurization is one of the reliable strategies. Thus, development of new and better adsorbents is main goal of researchers. In this work, carbon nanofibers were coated with nickel by electroless plating method to be used in adsorption of 1-butanethiol (1-butyl mercaptan) for the first time. Nickel amount in these structures was varied and adsorption behavior studied. To characterize the prepared adsorbent, concentration variation of mercaptan was determined by attenuated total reflectance Fourier transform infrared spectroscopy with multivariate curve resolution–alternating least squares chemometrics method as a new way. Also, potentiometry method was used to determine the mercaptan concentration during the adsorption process as a standard method. The data which were achieved by the two mentioned methods are processed by sum of ranking differences chemometrics method separately to compare the adsorption behavior of adsorbents. By using sum of ranking differences, it was concluded that with increment in amount of coated nickel, adsorption capacity would increase and random behavior in adsorption process would decrease. Also, this study showed that attenuated total reflectance Fourier transform infrared spectroscopy with multivariate curve resolution–alternating least squares can be applied to study the concentration variations of mercaptan as a reliable method. 相似文献
58.
Mahmoud?RoushaniEmail author Maryam?Karami Behruz?Zare Dizajdizi 《Mikrochimica acta》2017,184(2):473-481
A carbon ceramic electrode (CCE) was fabricated from a composite consisting of sol-gel, ceramic graphite, multi-walled carbon nanotubes and the natural carotenoid crocin. The resulting sensor is shown to allow for the determination of NADH at a rather low working potential of 0.22 V (vs. Ag/AgCl). The heterogeneous electron transfer rate constant (ks) and the surface coverage of the modified electrode are 16.8 s?1 and 22 pmol·cm?2, respectively. The sensor shows excellent and linear response in solutions of pH 7.0 over the 0.5 to 100 μM NADH concentration range, a 0.1 μM detection limit, and a sensitivity of 251.3 nA·μM?1·cm?2. 相似文献
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60.
A new application of silica chloride as an easily available and reusable solid acid catalyst for the synthesis of benzimidazole and its derivatives through the condensation of o‐phenylenediamines and orthoesters under thermal and solvent‐free conditions is described. This novel and eco‐friendly method is very cheap and has many advantages including excellent yields, short reaction time, and simple work‐up procedure. 相似文献