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121.
The potential of mean force for uncharged macroparticles suspended in a fluid confined by a wall or a narrow pore is computed for solvent-wall and solvent-macroparticle interactions with attractive forces. Bridge functions taken from Rosenfeld's density-functional theory are used in the reference hypernetted chain closure of the Ornstein-Zernike integral equations. The quality of this closure is assessed by comparison with simulation. As an illustration, the role of solvation forces is investigated. When the "residual" attractive tails are given a range appropriate to "hard sphere-like" colloids, the unexpected role of solvation forces previously observed in bulk colloids is confirmed in the confinement situation. 相似文献
122.
Samira El Ghammarti Benoit Rigo Hechmi Mejdi Jean-Pierre Hnichart Daniel Couturier 《Journal of heterocyclic chemistry》1998,35(3):555-565
Pyroglutamic acid was transformed into 1-[(N-Acetylarylamino)methyl]pyroglutamic acid derivatives by using trimethylsilyl variations of the Mannich reaction. 相似文献
123.
R. Khelifi P. Bode A. Amokrane 《Journal of Radioanalytical and Nuclear Chemistry》2007,274(3):639-642
The CITATION code based on neutron diffusion theory is used for flux calculation inside voluminous sample in prompt gamma
activation analysis with an isotopic neutron source (241Am-Be). The code used the specific parameters related to energy spectrum source, irradiation system materials (shielding,
reflector, etc.), geometry and elemental composition of the sample. The flux distribution (thermal and fast) was calculated
on three-dimensional geometry for the system: source, air, and polyethylene and water cylindrical sample of 125 liters. The
thermal flux was calculated in series of points inside the sample, and agreed with the results obtained by measurements with
good statistical uncertainty. The maximum thermal flux was measured at distance of 4.1 cm and calculated at 4.3 cm by the
CITATION code. Beyond a depth of 7.2 cm, the ratio of thermal flux to fast flux increases up to twice and allows us the optimization
of the detection system in the scope of in-situ PGNAA. 相似文献
124.
Squaric acid 1 reacts with equimolar amounts of tertiary amines 7 and tertiary phosphines 8 in acetic anhydride to afford the monocondensation-products 4 and 5 , respectively. 相似文献
125.
Mohammad Mahdavi Samira Mohammadi-Izad Mina Saeedi Maliheh Safavi Seyed Esmaeil Sadat Ebrahimi Alireza Foroumadi Abbas Shafiee 《Journal of the Iranian Chemical Society》2016,13(6):1139-1144
This work describes synthesis of novel chromenone derivatives bearing 4-nitrophenoxy phenyl acryloyl moiety through the reaction of 4-(4-nitrophenoxy)benzaldehydes and 3-acetyl-2H-chromen-2-ones in refluxing toluene. Cytotoxicity of all compounds was evaluated using a tetrazolium (MTT) colorimetric assay against human breast cancer cell line, MDA-MB-231. 相似文献
126.
Maryam Masjedi-Arani Davood Ghanbari Masoud Salavati-Niasari Samira Bagheri 《Journal of Cluster Science》2016,27(1):39-53
In this work spherical SiO2 nanoparticles were synthesized by sonochemical method using a new Schiff-base as a capping agent. The silica nanoparticles were obtained by hydrolysis of tetraethyl orthosilicate in aqueous alcohol solution. The effect of different parameters such as molar concentration of Schiff-base ligands and ultrasonic irradiation on the morphology and size of the products was examined. The results demonstrated that applying the appropriate amount of Schiff-base could be effective in control of particle size. The influence of SiO2 nanostructures on the flame retardancy of the poly styrene, poly vinyl alcohol, cellulose acetate and ethyl cellulose was studied. In-situ and ex situ nanocomposites were investigated and results confirm that flame retardancy of in situ nanocomposites were better than ex situ samples. HO···Si–O–Si···OH barrier prevents reaching of flame, heat and oxygen to the polymeric nanocomposites. 相似文献
127.
Application of a Modified CuO Nanoparticles Carbon Paste Electrode for Simultaneous Determination of Isoperenaline,Acetaminophen and N‐acetyl‐L‐cysteine 下载免费PDF全文
A 1‐[2‐hydroxynaphthylazo]‐6‐nitro‐2‐naphthol‐4‐sulfonate/ CuO nanoparticles modified carbon paste electrode (HNNSCCPE) was constructed and the electro‐oxidation of isoprenaline at the surface of the modified electrode was studied using cyclic voltammetry (CV), chronoamperometry (CHA), and square wave voltammetry (SWV). Under the optimized conditions, the square wave voltammetric peak current of isoprenaline increased linearly with isoprenaline concentrations in the range of 1.0×10?7 to 7.0×10?4 M and detection limit of 5.0×10?8 M was obtained for isoprenaline. The prepared modified electrode exhibits a very good resolution between the voltammetric peaks of isoprenaline, acetaminophen and N‐acetyl‐L‐cysteine which makes it suitable for the detection of isoprenaline in the presence of acetaminophen and N‐acetyl‐L‐cysteine in real samples. 相似文献
128.
Dr. Abebe R. Woldu Pooya Talebi Asfaw G. Yohannes Jianyin Xu Xu-Dong Wu Dr. Samira Siahrostami Dr. Liangsheng Hu Prof. Xiao-Chun Huang 《Angewandte Chemie (International ed. in English)》2023,62(29):e202301621
Tin disulfide (SnS2) is a promising candidate for electrosynthesis of CO2-to-formate while the low activity and selectivity remain a great challenge. Herein, we report the potentiostatic and pulsed potential CO2RR performance of SnS2 nanosheets (NSs) with tunable S-vacancy and exposure of Sn-atoms or S-atoms prepared controllably by calcination of SnS2 at different temperatures under the H2/Ar atmosphere. The catalytic activity of S-vacancy SnS2 (Vs-SnS2) is improved 1.8 times, but it exhibits an exclusive hydrogen evolution with about 100 % FE under all potentials investigated in the static conditions. The theoretical calculations reveal that the adsorption of *H on the Vs-SnS2 surface is energetically more favorable than the carbonaceous intermediates, resulting in active site coverage that hinders the carbon intermediates from being adsorbed. Fortunately, the main product can be switched from hydrogen to formate by applying pulsed potential electrolysis benefiting from in situ formed partially oxidized SnS2−x with the oxide phase selective to formate and the S-vacancy to hydrogen. This work highlights not only the Vs-SnS2 NSs lead to exclusively H2 formation, but also provides insights into the systematic design of highly selective CO2 reduction catalysts reconstructed by pulsed potential electrolysis. 相似文献
129.
Mansoor Namazian Samira Siahrostami Michelle L. Coote 《Journal of fluorine chemistry》2008,129(3):222-225
The electron affinity of tetrafluoro-p-benzoquinone (2.69 eV) and the mono- (2.10 eV), 2,3-di- (2.29 eV), 2,5-di- (2.28 eV), 2,6-di- (2.31 eV) and tri- (2.48 eV) fluoro derivatives of p-benzoquinone have been calculated via standard ab initio molecular orbital theory at the G3(MP2)-RAD level of theory. Comparison of calculated electron affinities with the available experimental values shows excellent agreement between theory and experiment. The reduction potential of tetrafluoro-p-benzoquinone in acetonitrile vs. SCE (−0.03 V) has been calculated at the same level of theory and employing a continuum model of solvation (CPCM), and is also in excellent agreement with the experimental value (−0.04 V vs. SCE). 相似文献
130.
Samira Benali Sophie Peeterbroeck Fabien Monteverde Michaël Alexandre Philippe Dubois 《European Polymer Journal》2008,44(6):1673-1685
Exfoliated nanocomposites were prepared by dispersion of poly(ε-caprolactone) (PCL) grafted montmorillonite nanohybrids used as masterbatches in chlorinated polyethylene (CPE). The PCL-grafted clay nanohybrids with high inorganic content were synthesized by in situ intercalative polymerization of ε-caprolactone between silicate layers organo-modified by alkylammonium cations bearing two hydroxyl functions. The polymerization was initiated by tin alcoholate species derived from the exchange reaction of tin(II) bis(2-ethylhexanoate) with the hydroxyl groups borne by the ammonium cations that organomodified the clay. These highly filled PCL nanocomposites (25 wt% in inorganics) were dispersed as masterbatches in commercial chlorinated polyethylene by melt blending. CPE-based nanocomposites containing 3-5 wt% of inorganics have been prepared. The formation of exfoliated nanocomposites was assessed both by wide-angle X-ray diffraction and transmission electron microscopy. The thermal and thermo-mechanical properties were studied as a function of the filler content, by differential scanning calorimetry and dynamic mechanical analysis, respectively. The mechanical properties were also assessed by tensile tests. The Young’s modulus of CPE is increased by a decade when a PCL-grafted clay masterbatch is exfoliated to reach 5 wt% of clay in the resulting nanocomposite. The influence of PCL-grafting on the properties of these nanocomposites was investigated by comparison with materials obtained with ungrafted-PCL. 相似文献