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1.
K. Suryakala K. R. Marikkannu G. Paruthimal Kalaignan T. Vasudevan 《Journal of Solid State Electrochemistry》2007,11(12):1671-1677
LiMn2O4-based spinels are of great interest as positive electrode materials for lithium ion batteries. LiCo
x
Mn2−x
O4 (x = 0.0, 0.1, 0.2, 0.3, and 0.4) spinel phases have been synthesized by novel citric acid-modified microwave-assisted sol–gel
method. The structural properties of the synthesized products have been investigated by X-ray powder diffraction and scanning
electron microscopy. To improve the recharge capacity of Li/LiCo
x
Mn2−x
O4 cells, the electrochemical features of LiCo
x
Mn2−x
O4 compounds have been evaluated as positive electrode materials. The structural properties of Co-doped oxides are very similar
to LiMn2O4 electrode. Techniques like cyclic voltammetry, charge–discharge and cycle life are also used to characterize the LiCo
x
Mn2−x
O4 (x = 0.0, 0.1, 0.2, 0.3, and 0.4) electrodes. 相似文献
2.
Design of donor–acceptor–donor (D–A–D) type small molecule donor materials with efficient photovoltaic parameters
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Muhammad Irfan Javed Iqbal Sana Sadaf Bertil Eliasson Usman Ali Rana Salah Ud‐din Khan Khurshid Ayub 《International journal of quantum chemistry》2017,117(10)
Four Donor–Acceptor–Donor (D–A–D) type of donor molecules (M1‐M4) with triphenylamine (TPA) as donor moiety, thiophene as bridge, and thiazolothiazole as acceptor unit were designed and its photovoltaic parameters were equated with reference molecule “R.” DFT functional CAM‐B3LYP/6‐31G (d,p) was found best for geometry optimization and TD‐CAM‐B3LYP/6‐31G (d,p) was found suitable for excited state calculations. Among designed donor molecules, M4 manifests suitable lowest band gap of 4.73 eV, frontier molecular orbital energy levels as well as distinctive broad absorption of 455.3 nm due to the stronger electron withdrawing group. The electron‐withdrawing substituents contribute to red shifts of absorption spectra and better stabilities for designed molecules. The theoretically determined reorganization energies of designed donor molecules suggested excellent charge mobility property. The lower λe values in comparison with λh illustrated that these four donor materials would be ideal for electron transfer and M4 would be best amongst the investigated molecules with lowest λe of 0.0177. Furthermore, the calculated Voc of M4 is 2.04 V with respect to PC60BM (phenyl‐C61‐butyric acid methyl ester). This study revealed that the designed donor materials are suitable and recommended for high performance organic solar cell devices. 相似文献
3.
Masuo Suzuki 《Journal of statistical physics》1988,53(1-2):483-497
Conceptual arguments on the coherent-anomaly method (CAM) and on the super-effective-field theory are presented to explain the basic ideas of these theories. Some possible applications are also suggested. 相似文献
4.
5.
用无衍射光子束写入细微图形的CAM技术 总被引:1,自引:1,他引:0
本文提出了用无衍射光子束写入细微图形的新方法,从理论上论证了无衍射光子束的生成机理.设计了无衍射光子束的发生装置.介绍了已研制成功的CAM光刻机. 相似文献
6.
Abstract Leaf carbon isotope ratios (δ13C), an indicator of long-term intercellular carbon dioxide concentration, and also stem and root carbon isotope ratios were measured on the obligate CAM species Crassula argentea cultivated in pure and mixed cultures with the succulent C3 Peperomia obtusifolia in open-air conditions under two different levels of nitrogen and water supply. As expected, a diminished water supply and a relatively dry and hot summer climate cause a shift of δ13C values to a less strong 13C discrimination (less negative δ13C values). A diminished nitrogen supply causes a shift of the δ13C values in direction of a higher 13C discrimination (more negative δ13C values), particularly in the leaves. Competition causes also an increased 13C discrimination, especially valid for shoot axes. The shift of 13C/12C isotope ratios in case of nitrogen deficiency is discussed to be a result of a decreased PEPCase activity in the night. 相似文献
7.
K. D. Mooiman R. F. Maas‐Bakker H. Rosing J. H. Beijnen J. H. M. Schellens I. Meijerman 《Biomedical chromatography : BMC》2013,27(9):1107-1116
Complementary and alternative medicines (CAM) can affect the pharmacokinetics of anticancer drugs by interacting with the metabolizing enzyme cytochrome P450 (CYP) 3A4. To evaluate changes in the activity of CYP3A4 in patients, levels of 1‐hydroxymidazolam in plasma are often determined with liquid chromatography–quadrupole mass spectrometry (LC‐MS/MS). However, validated LC‐MS/MS methods to determine in vitro CYP3A4 inhibition in human liver microsomes are scarce and not optimized for evaluating CYP3A4 inhibition by CAM. The latter is necessary because CAM are often complex mixtures of numerous compounds that can interfere with the selective measurement of 1‐hydroxymidazolam. Therefore, the aim was to validate and optimize an LC‐MS/MS method for the adequate determination of CYP3A4 inhibition by CAM in human liver microsomes. After incubation of human liver microsomes with midazolam, liquid–liquid extraction with tert‐butyl methyl ether was applied and dried samples were reconstituted in 50% methanol. These samples were injected onto a reversed‐phase chromatography consisting of a Zorbax Extend‐C18 column (2.1 × 150 mm, 5.0 µm particle size), connected to a triple quadrupole mass spectrometer with electrospray ionization. The described LC‐MS/MS method was validated over linear range of 1.0–500 nm for 1‐hydroxymidazolam. The results revealed good inter‐assay accuracy (≥85% and ≤115%) and within‐day and between‐day precisions (coefficient of variation ≤ 4.43%). Furthermore, the applicability of this assay for the determination of CYP3A4 inhibition in complex matrix mixtures was successfully demonstrated in an in vitro experiment in which CYP3A4 inhibition by known CAM (β‐carotene, green tea, milk thistle and St. John's wort) was determined. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
8.
Maria Paola Germanò Giovanna Certo Valeria D'Angelo Rokia Sanogo Nicola Malafronte Nunziatina De Tommasi 《Natural product research》2015,29(16):1551-1556
Entada africana roots are used in African traditional medicine for various diseases including inflammation. This application may be mediated through anti-angiogenic effects. Thus, in this study the anti-angiogenic activity of E. africana root extracts (n-hexane, chloroform, chloroform/methanol and methanol) was preliminarily evaluated by the quantitative determination of endogenous alkaline phosphatase in zebrafish embryos. A bioactivity-guided fractionation of chloroform/methanol extract yielded apigenin and robinetin as the main constituents from the most active fractions. In addition, a marked reduction on capillary formation was evidenced in chick chorioallantoic membrane after treatment with the active fractions or isolated compounds. Results obtained in this study suggest that the anti-angiogenic effects of E. africana root may account for its use in inflammatory diseases and other related pathological conditions. 相似文献
9.
Zahra Jamshidi Kiomars Eskandari S. Mohammad Azami 《International journal of quantum chemistry》2013,113(16):1981-1991
Interactions between noble metals and rare gases have become an interesting topic over the last few years. In this work, a computational study of the open‐shell (d10s1) and closed‐shell (d10s and d10s2) noble metals (M = Cu, Ag, and Au) with three heaviest rare gas atoms (Rg = Kr, Xe, and Rn) has been performed. Potential energy curves based on ab initio [MP2, MP4, QCISD, and CCSD(T)] and DFT functionals (M06‐2X and CAM‐B3LYP) were obtained for ionic and neutral AuXe complexes. Dissociation energies indicate that neutral metals have the lowest and cationic metals have the highest affinities for interaction with rare gas atoms. For the same metals, there is a continuous increase in dissociation energies (De) from Kr to Rn. The nature of bonding and the trend of De and equilibrium bond lengths (Re) have been interpreted by means of quantum theory of atoms in molecules, natural bond orbital, and energy decomposition analysis. © 2013 Wiley Periodicals, Inc. 相似文献
10.
Suchada Kongkiatkamon Kittipong Booranasophone Apichat Tongtaksin Valailuck Kiatthanakorn Dinesh Rokaya 《Molecules (Basel, Switzerland)》2021,26(17)
Recently, translucent zirconia has become the most prevalent material used as a restorative material. This study aimed to compare the crown fracture load of the four most common different translucent zirconia brands available in the market at 1.5 mm thickness. Standardized tooth preparations for a full ceramic crown were designed digitally with software (AutoCAD) by placing a 1.0 mm chamfer margin and 1.5 mm occluso-cervical curvature for the crown sample manufacturing. Stylized crowns were chosen to control the thickness of the crown. The axial and occlusal thickness were standardized to 1.5 mm thickness except at the central pit, which was 1.3 mm thick. The STL file for the tooth dies was prepared using software (3Shape TRIOS® Patient Monitoring, Copenhagen, Denmark). The tooth dies were printed with a resin material (NextDent Model 2.0, Vertex-Dental B.V., Soesterberg, The Netherlands) using a 3D printing software (3D Sprint® Client Version 3.0.0.2494) from a 3D printer (NextDent™ 5100, Vertex-Dental B.V., Soesterberg, The Netherlands). The printing layer thickness was 50 µm. Then, a total of twenty-eight (N = 28) stylized crowns were milled out of AmannGirrbach (Amann Girrbach GmbH, Pforzheim, Germany) (n = 7), Cercon HT (Dentsply Sirona, Bensheim, Germany) (n = 7), Cercon XT (Dentsply Sirona, Bensheim, Germany) (n = 7), and Vita YZ XT (Zahnfabrik, Bäd Sackingen, Germany) (n = 7). Following sintering the crowns, sandblasting was performed and they were bonded to the tooth dies with the resin cement (RelyX U-200, 3M ESPE, Seefeld, Germany) and permitted to self-cure under finger pressure for 6 min. The crowns were loaded on the occlusal surface in a universal testing machine (MTS Centurion) with a stainless-steel ball indenter (7 mm radius) with a loading rate of 1 mm/min to contact the stylized crowns on each of the four cusps until failure. A rubber sheet (1.5 mm thickness) was positioned between the crown and indenter, which helped with the load distribution. Statistical analysis was done using SPSS version 20 (IBM Company, Chicago, USA). The fracture loads were analyzed using Dunnett’s T3 test, and the number of cracks was analyzed using the Mann–Whitney U test among the groups. The significant level was set at p value = 0.05. The mean fracture loads were 3086.54 ± 441.74 N, 4804.94 ± 70.12 N, 3317.76 ± 199.80 N, and 2921.87 ± 349.67 N for AmannGirrbac, Cercon HT, Cercon XT, and Vita YZ XT, respectively. The mean fracture loads for the surfaces with the greatest number of cracks (excluding the occlusal surfaces) were on the lingual surface for AmannGirrbach and Cercon HT, on the distal and mesial for Cercon XT, and on the buccal for Vita YZ XT. We found that the AmannGirrbach had the most overall cracks. Cercon XT had the greatest number of occlusal cracks and appeared to be the most shattered. Cercon HT had the least number of cracks. In conclusion, Cercon HT presented the best strength properties, the highest fracture load, and no visible cracks. AmannGirrbach presented the lowest strength properties. 相似文献