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排序方式: 共有485条查询结果,搜索用时 31 毫秒
1.
Molecular Diversity - Quantitative structure–activity relationship (QSAR) and read-across techniques have recently been merged into a new emerging field of read-across... 相似文献
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Basak Anirban Sadhu Arindam Das Kunal Sharma Kapil K. 《International Journal of Theoretical Physics》2019,58(9):3158-3179
In this paper, an attempt is made to present a method of quantum cost minimization or optimization technique for quantum reversible circuits using proposed merger rules in Exclusive Sum of Product (ESOP) method. These modified ESOP methods are used to minimize the quantum circuits. We found that the quantum cost is drastically decreased than the previous ESOP method. It will be easy to find the quantum cost and quantum gate optimized quantum circuits implementation. It will also reduce quantum error while the quantum circuit is executed in real quantum processor.
相似文献4.
Jitendra Pratap Singh Neema Agarwal Varsha Sahni Vaneet Kumar Rahul Malhotra Dinesh Pathak 《印度化学会志》2022,99(9):100581
This research intends to expand a mathematical model for studying the non-Newtonian surge of blood through a hepatic artery in the presence of steno occlusive disease post-liver transplantation. Power law liquid demonstrates the non- Newtonian character of blood. The hemodynamic conduit of the fluid is altered by the occurrence of arterial stenosis. In our study, the difficulty is resolved by applying diagnostic methods with the assistance of marginal circumstances and consequences. The outcomes are explained graphically for unusual cases for such stenosis. The study design is based on a tensorial form and converts its solution using numerical and analytical techniques. Our study outcome suitably demonstrates that the mathematical model used corroborates with the clinical scenario of the patient with hepatic disease. 相似文献
5.
Ojha Probir Kumar Kar Supratik Krishna Jillella Gopala Roy Kunal Leszczynski Jerzy 《Molecular diversity》2021,25(1):625-659
Molecular Diversity - After the 1918 Spanish Flu pandemic caused by the H1N1 virus, the recent coronavirus disease 2019 (COVID-19) brought us to the time of serious global health catastrophe.... 相似文献
6.
Thickness dependence of thermally induced changes in surface and bulk properties of Nafion® nanofilms 下载免费PDF全文
Devproshad K. Paul Hyun Ki Shim Javier B. Giorgi Kunal Karan 《Journal of Polymer Science.Polymer Physics》2016,54(13):1267-1277
Thermally induced changes in surface wettability, dewetting behavior, and proton transport of “self‐assembled” nanothin Nafion® films (4–300 nm) on SiO2 substrate is reported. Thermal annealing induces switching of the surface wettability of 55 nm and thinner films from hydrophilic to super‐hydrophobic. Thickness dependence of this behavior is observed with higher annealing temperature required for lower thickness films, indicating highly restrictive mobility of Nafion® ionomer as film thickness decreases. Dewetting is only observed for 4‐nm thin film. Significant suppression in proton conductivity upon thermal annealing was noted. Similarly, two other bulk properties, water uptake and swelling, were found to decrease upon annealing. This work reports a systematic examination of the thickness dependence of thermally induced changes in both surface and bulk properties of ultra‐thin Nafion®. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 1267–1277 相似文献
7.
Eleven constituents were characterised by gas chromatography–mass spectrometry analysis, and five molecules were isolated using column chromatography. The in vitro study of the extract and isolated molecules against KB and SiHa cell lines revealed oleanolic acid (1) and oleic acid (2) as potent cytotoxic molecules with potential anticancer activity. The IC50 values of n-hexane extract (CPHF), oleanolic acid (1) and oleic acid (2) were >300, 56.08 and 70.7 μg/mL (μM), respectively, against KB cell lines and >300, 47.24 and 80.2 μg/mL (μM), respectively, against SiHa cell lines. 相似文献
8.
Dr. Greggory T. Kent Emily Morgan Kaitlin R. Albanese Dr. Anna Kallistova Dr. Alexandra Brumberg Linus Kautzsch Dr. Guang Wu Prof. Pratap Vishnoi Prof. Ram Seshadri Prof. Anthony K. Cheetham 《Angewandte Chemie (International ed. in English)》2023,62(32):e202306000
Halide double perovskites [A2MIMIIIX6] are an important class of materials that have garnered substantial interest as non-toxic alternatives to conventional lead iodide perovskites for optoelectronic applications. While numerous studies have examined chloride and bromide double perovskites, reports of iodide double perovskites are rare, and their definitive structural characterization has not been reported. Predictive models have aided us here in the synthesis and characterization of five iodide double perovskites of general formula Cs2NaLnI6 (Ln=Ce, Nd, Gd, Tb, Dy). The complete crystal structures, structural phase transitions, optical, photoluminescent, and magnetic properties of these compounds are reported. 相似文献
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Jena Sudipta Ray Asit Sahoo Ambika Kamila Pradeep Kumar Nayak Sanghamitra Panda Pratap Chandra 《Chemistry of Natural Compounds》2021,57(6):1147-1149
Chemistry of Natural Compounds - 相似文献
10.
Torands Revisited: Metal Sequestration and Self‐Assembly of Cyclo‐2,9‐tris‐1,10‐phenanthroline Hexaaza Macrocycles 下载免费PDF全文
Dr. Matthias Georg Schwab Dr. Masayoshi Takase Dr. Alexey Mavrinsky Dr. Wojciech Pisula Prof. Dr. Xinliang Feng Dr. José A. Gámez Prof. Dr. Walter Thiel Dr. Kunal S. Mali Prof. Dr. Steven de Feyter Prof. Dr. Klaus Müllen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(23):8426-8434
A series of novel toroidal cyclo‐2,9‐tris‐1,10‐phenanthroline macrocycles with an unusual hexaaza cavity are reported. Nickel‐mediated Yamamoto aryl–aryl coupling was found to be a versatile tool for the cyclotrimerization of functionalized 1,10‐phenathroline precursors. Due to the now improved processability, both liquid‐crystalline behavior in the bulk phase and two‐dimensional self‐assembly at the molecular level could be studied, for the first time, for a torand system. The macrocycles exhibited a strong affinity for the complexation of different metal cations, as evidenced by MALDI‐TOF analysis and spectroscopic methods. Experimental results were correlated to an extensive computational study of the cyclo‐2,9‐tris‐1,10‐phenanthroline cavity and its binding mode for metal cations. Due to the combination of several interesting features, toroidal macrocycles may find future applications in the field of ion and charge transport through molecular channels, as well as for chemical sensing and molecular writing in surface‐confined monolayers under STM conditions. 相似文献