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1.
《中国物理 B》2021,30(5):56501-056501
Thermal expansion control is always an obstructive factor and challenging in high precision engineering field. Here,the negative thermal expansion of Nb F_3 and Nb OF_2 was predicted by first-principles calculation with density functional theory and the quasi-harmonic approximation(QHA). We studied the total charge density, thermal vibration, and lattice dynamic to investigate the thermal expansion mechanism. We found that the presence of O induced the relatively strong covalent bond in Nb OF_2, thus weakening the transverse vibration of F and O in Nb OF_2, compared with the case of Nb F_3.In this study, we proposed a way to tailor negative thermal expansion of metal fluorides by introducing the oxygen atoms.The present work not only predicts two NTE compounds, but also provides an insight on thermal expansion control by designing chemical bond type. 相似文献
2.
《Arabian Journal of Chemistry》2022,15(4):103715
Oral administration represents the most suitable mean among different means of administering drugs because it ensures high compliance by patients. Nevertheless, the lacking aqueoussolubility, as well as, inadequate metabolic/enzymatic stability of medicines are leading obstacles to successful drug administration by oral route. Among different systems, drug administration systems based on nanotechnology have the potential to surmount the problems associated with oral drug administration. Drug delivery systems based on nanotechnology offer an alternative to deliver antihypertensive agents with enhanced therapeutic effect and bioavailability. In this study, meta-analysis was utilized in combining data relating to oral bioavailability (area under plasma concentration time curve, AUC) enhancement through nanotechnology from multiple studies. Twenty-one studies of the total 37articles included in this study were from the kingdom of Saudi Arabia and were included in a specific meta-analysis. From the analysis conducted, the overall enhancement power of the nanotechnology based formulations on drug bioavailability was found to be 7.94% (95 %CI [5.809, 10.064]). Haven utilized comprehensive and recent data of the confirmed the enhancement of bioavailability using nanotechnology which for this study was grouped into five: solid lipid nanoparticles; polymer based nanoparticles; SNEEDS/Nanoemulsion; liposomes/proliposomes and; nanostructured lipid carriers. Furthermore, the meta-analysis, provided evidence of insignificant differences between APG Bio-SNEDDS and its free drug suspension (Apeginin, APG), though with relative bioavailabiilty of 1.91. Notwithstanding most of the treatment showed a substantial relative bioavailability. 相似文献
3.
Hasan Kara Muhammad Aamir Ali Hüseyin Budak 《Mathematical Methods in the Applied Sciences》2021,44(1):104-123
In this paper, we define interval‐valued left‐sided and right‐sided generalized fractional double integrals. We establish inequalities of Hermite‐Hadamard like for coordinated interval‐valued convex functions by applying our newly defined integrals. 相似文献
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Using polydimethylsiloxane (PDMS) as a basic matrix to prepare ethanol and butanol permselective pervaporation membranes is a vibrant field. Many studies have verified that the three-dimensional Hansen solubility parameters (HSP) theory offers a valid explanation for the swelling performance of ethanol and butanol in PDMS. Five parameters (δD, δP, δH, δt, and Ra) are defined in HSP theory which can be individually used to explain the interaction strength between a solvent and a polymer. However, for the above five parameters, which one is the most effective parameter for deciding the swelling degree still needs to be determined. In this study, a commonly used hydroxy-terminated PDMS precursor was adopted to prepare the PDMS network. The HSP of the chosen PDMS precursor was measured by an advanced “solubility-rating” method. The special software package HSPiP (4.1.03), purchased from the HSPiP team, was used to process the “solubility-rating” results. The equilibrium swelling degree (Q value) of the PDMS network in water, ethanol, butanol, and toluene was measured and the relationships between the five HSP parameters of the solvents and the logarithmic equilibrium swelling degree, log(Q), were discussed. It was found that the measured polar parameter, δP, of PDMS was 0.12 MPa0.5. The measured hydrogen bonding parameter, δH, was larger than δP, attaining a value of 8.6 MPa0.5, because the hydroxy groups directly contributed to the hydrogen bonding solubility parameter, δH. With respect to the relationships between log(Q) and δD, δP, δH, δt, and Ra, linear relationships existed after plotting log(Q) vs. δP and log(Q) vs. δH. The linear relation degree of the fitted lines was 0.995 and 0.989, respectively. Their standard deviations were 0.149 and 0.232, respectively. Therefore, a better linear relationship existed between log(Q) and δP than the other solubility parameters. This indicated that the polar interaction was the main effect for deciding the swelling degree of the PDMS network in water and alcohol systems. 相似文献
6.
R. Grosseuvres A. Comandini A. Bentaib N. Chaumeix 《Proceedings of the Combustion Institute》2019,37(2):1537-1546
The present work reports new experimental and numerical results of the combustion properties of hydrogen based mixtures diluted by nitrogen and steam. Spherical expanding flames have been studied in a spherical bomb over a large domain of equivalence ratios, initial temperatures and dilutions at an initial pressure of 100 kPa (Tini = 296, 363, 413 K; N2/O2 = 3.76, 5.67, 9; %Steam = 0, 20, 30). From these experiments, the laminar flame speed , the Markstein length L’, the activation energy Ea and the Zel'dovich β number have been determined. These parameters were also simulated using COSILAB® in order to verify the validity of the Mével et al. [1] detailed kinetic mechanism. Other parameters as the laminar flame thickness δ and the effective Lewis number Leeff were also simulated. These new results aim at providing an extended database that will be very useful in the hydrogen combustion hazard assessment for nuclear reactor power plant new design. 相似文献
7.
Degradation of pyrene in soil in a net-to-net pulsed discharge plasma (PDP) system was reviewed. Effect of main chemical parameters, including air flow rate, pyrene concentration, initial pH and soil moisture content on pyrene degradation was examined. The obtained results show that 87.9% of pyrene could be removed under the condition of 60 min reaction; increasing of air flow rate within 1 L min−1 was favorable for degradation; pyrene removal was decreased with the increase of initial pyrene concentration; oxidation of pyrene was more evident in acidic soil; enhancement of soil moisture content has no benefit on pyrene degradation. 相似文献
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Basma H. Amin Mohamed I. Abou-Dobara Mostafa A. Diab Essam A. Gomaa Mohammed A. El-Mogazy Adel Z. El-Sonbati Mohamed S. EL-Ghareib Mostafa A. Hussien Hanaa M. Salama 《应用有机金属化学》2020,34(8):e5689
A novel series of mixed-ligand complexes of 5,5′-{(1E,1E′)-1,4-phenelynebis(diazene-2,1-diyl)}bis(quinolin-8-ol) (H2L1) as a primary ligand and 4-aminoantipyrine(L2) as a secondary ligand with Mn(II) ion were prepared using two general formulae: [Mn2(H2L1)2(L2)2X4].4Cl (X = OH2( 1 ), ONO2−( 2 ), Cl=nil; OAc( 3 ), Cl = nil) and [Mn2(H2L1)(L2)2(O2SO2)2]( 4 ). Free ligands and their complexes were characterized. Electronic absorption spectra of the mixed-ligand complexes indicate a distorted octahedral geometry around the central metal ion, and the anions X− are in the axial positions for all compounds. The ligands behave in a neutral bidentate manner, through nitrogen atoms and oxygen atoms of the carbonyl group (L2), whereas H2L1 coordinated through nitrogen and OH groups as a neutral bidentate ligand. All complexes do not contain coordinated water molecules, but complex ( 1 ) contains four water molecules. The water molecules are removed in a single step. The complexes exhibited magnetic susceptibility corresponding to five unpaired electrons. The antimicrobial activity of the Mn(II) mixed-ligand complexes ( 1–4 ) against two gram-positive bacteria, three local gram-negative bacteria, and three fungi species was tested. Mn(II) mixed-ligand complex ( 2 ) exhibited significant antibacterial activity against Bacillus cereus, Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, and Pseudomonas sp. Mixed-ligand complex ( 2 ) exhibited a high potential cytotoxicity against the growth of human lung cancer cells. 相似文献
10.
对实腹式波形顶板-UHPC(超高性能混凝土)组合桥面板进行了改进, 采用空腹式结构建立波形钢板-UHPC组合桥面板有限元模型, 研究UHPC层厚度、波形钢板厚度、波形长度、下缘板宽度和波形高度等截面参数变化对组合桥面板受力特性的影响, 并确定其合理取值范围. 在此基础上, 通过理想点法对参数组合进行优化, 得到合理的参数匹配. 研究结果表明 相较于实腹式组合桥面板, 优化后的组合桥面板自重减小35%, 钢板弯折处应力减小16%; 相较于正交异性钢桥面板, 桥面板用钢量减小7%, 顶板与U肋连接位置应力减小47%. 相似文献