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排序方式: 共有346条查询结果,搜索用时 15 毫秒
1.
This paper examines the steady state behaviour of a batch arrival queue with two phases of heterogeneous service along and Bernoulli schedule vacation under multiple vacation policy, where after two successive phases service or first vacation the server may go for further vacations until it finds a new batch of customer in the system. We carry out an extensive stationary analysis of the system, including existence of stationary regime, queue size distribution of idle period process, embedded Markov chain steady state distribution of stationary queue size, busy period distribution along with some system characteristics. 相似文献
2.
The formation constants of charge-transfer complexes of a number of 9- and 9,10-substituted anthracenes with chloranil have been measured by a spectrophotometric method and the corresponding thermodynamic parameters ΔG°c, ΔH°c and ΔS°c evaluated in various solvents. vmax values of the chargetransfer band for chloranil were linearly related to those for tetracyanoethylene (TCNE). Good correlations were also obtained between vmax and the corresponding ionisation potentials Ip of the donor molecules. In addition ΔG°c varied linearly with Ip and from these correlations, values of ΔG°c, etc. for the corresponding TCNE complexes could be calculated. These values are otherwise very difficult to obtain due to the high reactivity of TCNE. 相似文献
3.
Molecular Diversity - In this research, QSAR modeling was carried out through SMILES of compounds and on the basis of the Monte Carlo method to predict the antioxidant activity of 79 derivatives of... 相似文献
4.
Nitrogen doped nano porous graphene was used as an efficient sorbent in solid‐phase extraction process for simultaneous separation and pre‐concentration of metal ions lead (II), cadmium(II), and chromium(III)) in biological samples. Ultrasonic assisted in‐syringe dispersive micro solid phase extraction coupled with micro sampling atomic absorption spectrometry was utilized for the determination of metal ions. Nitrogen doped nano porous graphene was synthesized as a nano sorbent by chemical vapour deposition method. Methane and aniline were used as carbon and nitrogen sources. The characterization of sorbent was performed by field emission scanning electron microscope, transmission electron microscopy, atomic force microscope, fourier transform infrared, chemical element analysis and raman analysis. Effective parameters on the extraction efficiency such as pH, sorbent dosage, eluent volume and eluent concentration were optimized by central composite design and desirability function. Experimental results indicate that the optimal conditions for this extraction were pH = 6.4, 1.42 mg of sorbent, 100 μL of eluent, and 0.84 mol L‐1 of eluent concentration. The detection limits are as low as 1.5, 0.3 and 0.9 μg L‐1 for lead, cadmium, and chromium, respectively. The intra‐day precisions were 3.6, 4.38 and 2.94 and Inter‐day precision were 4.83, 5.26 and 4.52 for lead, cadmium, and chromium, respectively. Method performance was investigated by determination of mentioned heavy metals in complicated biological matrixes such as human plasma, urine and saliva samples with good recoveries. 相似文献
5.
Ali Morad Rashidi Roghaye Lotfi Amideddin Nouralishahi Mohammad Ali Khodagholi Masoud Zare Faeghe Eslamipour 《天然气化学杂志》2011,20(6):664-668
Nanoporous carbons were synthesized using furfuryl alcohol and sucrose as precursors and MCM-41 and mordenite as nanoporous templates.The produced nanoporous carbons were used as adsorbent for methane storage.The average pore diameter of the samples varied from 3.9 nm to 5.9 nm and the BET surface area varied from 320m2/g to 824m2/g.The volumetric adsorption experiments revealed that MCM-41 and sucrose had better performance compared with mordenite and furfuryl alcohol,correspondingly.Also,the effect of precursor to template ratio on the structure of nanoporous carbons and their adsorption capacities was investigated.The nanoporous carbon produced from MCM-41 mesoporous molecular sieve partially filled by sucrose shows the best methane adsorption capacity among the tested samples. 相似文献
6.
Microtubules are tube-shaped, filamentous and cytoskeletal proteins that are essential in all eukaryotic cells. Microtubule is an attractive and promising target for anticancer agents. In this study, three-dimensional quantitative structure activity relationships (3D-QSAR) including comparative molecular field analysis, CoMFA, and comparative molecular similarity indices analysis, CoMSIA, were performed on a set of 45 (E)-N-Aryl-2-ethene-sulfonamide analogues as microtubule-targeted anti-prostate cancer agents. Automated grid potential analysis, AutoGPA module in Molecular Operating Environment 2009.10 (MOE) as a new 3D-QSAR approach with the pharmacophore-based alignment was carried out on the same dataset. AutoGPA-based 3D-QSAR model yielded better prediction parameters than CoMFA and CoMSIA. Based on the contour maps generated from the models, some key features were identified in (E)-N-Aryl-2-arylethene-sulfonamide analogues that were responsible for the anti-cancer activity. Virtual screening was performed based on pharmacophore modeling and molecular docking to identify the new inhibitors from ZINC database. Seven top ranked compounds were found based on Gold score fitness function. In silico ADMET studies were performed on compounds retrieved from virtual screening in compliance with the standard ranges. 相似文献
7.
CoFe2O4@SiO2‐CPTES‐Guanidine‐Cu(II) magnetic nanoparticles were synthesized and used as a new, inexpensive and efficient heterogeneous catalyst for the synthesis of polyhydroquinolines and 2,3‐dihydroquinazoline‐4(1H)‐ones and for the oxidation of sulfides. The structure of this nanocatalyst was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, vibrating sample magnetometry, thermogravimetric analysis, X‐ray diffraction and inductively coupled plasma optical emission spectrometry. Simple preparation, high catalytic activity, simple operation, high yields, use of green solvents, easy magnetic separation and reusability of the catalyst are some of the advantages of this protocol. 相似文献
8.
N,N,N',N'-Tetrabromobenzene-1,3-disulfonamide (TBBDA)/triphenylphosphine and N,N,N',N'-tetra- chlorobenzene-1,3-disulfonamide (TCBDA)/triphenylphosphine have been introduced as highly efficient systems for the versatile conversion of aldoxime derivatives into nitriles. The process reported here is operationally simple and reactions have been mildly performed in dichloromethane at room temperature. 相似文献
9.
Lotfi Boudjema Dr. Jérôme Long Dr. Fabrice Salles Prof. Joulia Larionova Dr. Yannick Guari Prof. Philippe Trens 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(2):479-484
Porous coordination polymers are molecule-based materials presenting a high degree of tunability, which offer many advantages for targeted applications over conventional inorganic materials. This work demonstrates that the hydrophilic/hydrophobic character of Prussian blue analogues having a lipophilic feature may be tuned to optimize the gas adsorption properties. The role of the coordinatively unsaturated metal sites is emphasized through a combination of theoretical and experimental study of water, ethanol, and n-hexane adsorption. 相似文献
10.
Aziz Elkechai Abdou Boucekkine Lotfi Belkhiri Didier Hauchard Caroline Clappe Michel Ephritikhine 《Comptes Rendus Chimie》2010,13(6-7):860-869
Electron affinities (EAs) of a series of biscyclopentadienyl and phospholyl uranium(IV) complexes L2U(BH4)2 [L2 = Cp2, (tmp)2, (tBuCp)2, (Cp*)(tmp) and Cp*2] related to the U(III)/U(IV) redox system were calculated using relativistic Density Functional Theory (DFT) based methods coupled with the Conductor-like Screening Model for Real Solvents (COSMO-RS) approach. Electrochemical measurements of half-wave potentials in solution (tetrahydrofuran THF) were carried out for all these compounds under the same rigorous conditions. A good correlation (r2 = 0.99) is obtained between the calculated EA values, at the ZORA/BP86/TZ2P level, and the half-wave reduction potentials measured by electrochemistry. The investigations bring to light the importance of spin-orbit coupling and solvent effect and the use of a large basis set in order to achieve such a good agreement between theory and experiment. The study confirms the instability of the Cp2U(BH4)2 complex during the reduction process. The influence of the substituted aromatic ligand L2, namely their electron donating ability, on EA was studied. The role of involved orbitals (singled occupied molecular orbital –SOMO– of anionic species or lowest unoccupied molecular orbital –LUMO– of neutral species) in the redox process was revealed. 相似文献