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1.
To identify the detailed roles of water bridges in neonicotinoids recognition, twenty-four neonicotinoids compounds were designed, synthesized, bioassayed and modelled. Of all nine fragments mimicking water bridges, cyano group was the optimal one. The insecticidal activities indicated that the water bridge might be stable in the active site and was not suitable to be replaced by other groups, which highlighted the significance of water bridges for neonicotinoids. 相似文献
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Keya Basu Ghose 《International journal of quantum chemistry》1995,53(3):275-286
We present here a perturbative analysis of the coupled cluster response method for molecular static properties with Euler and extended coupled cluster functionals under cubic truncation. Comparative analysis is meant to cater to both pedagogical and practical interests. Comprehensive tables for energy-derivative expressions and equations at the stationary point are presented. © 1995 John Wiley & Sons, Inc. 相似文献
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Zhongyi Guo Jinmei Feng Keya Zhou Yanjun Xiao Shiliang Qu Jung-Ho Lee 《Applied Physics A: Materials Science & Processing》2012,108(3):639-644
The interactions between femtosecond (fs) laser pulses and a thin Au film deposited on a silica glass substrate were systematically investigated based on experimental data. Different structures, including microholes, nanoholes, and nanobumps, are obtained when pulses with different energies are incident on the surface of a gold film. The experimental results are discussed according to specific experimental parameters. Two physical models were constructed in order to explain the experimental results. The formation of nanoholes in a silica substrate is attributed to etching by higher order harmonic generations (HHG) when the femtosecond laser pulse interacts with the generated plasma layer, while the formation of nanobumps on the surface of an Au film is attributed to the elastic and plastic characteristics of the metal film under laser pulse irradiation. 相似文献
4.
Nabil A. Younes Md. Mezanur Rahman Ahmed A. Wardany Mona F. A. Dawood Mohammad Golam Mostofa Sanjida Sultana Keya Arafat Abdel Hamed Abdel Latef Lam-Son Phan Tran 《Molecules (Basel, Switzerland)》2021,26(9)
The increasing culinary use of onion (Alium cepa) raises pressure on the current production rate, demanding sustainable approaches for increasing its productivity worldwide. Here, we aimed to investigate the beneficial effects of licorice (Glycyrrhiza glabra) root extract (LRE) in improving growth, yield, nutritional status, and antioxidant properties of two high-yielding onion cultivars, Shandaweel and Giza 20, growing under field conditions in two consecutive years. Our results revealed that pretreatments of both onion cultivars with LRE exhibited improved growth indices (plant height and number of leaves) and yield-related features (bulb length, bulb diameter, and bulb weight) in comparison with the corresponding LRE-devoid control plants. Pretreatments with LRE also improved the nutritional and antioxidant properties of bulbs of both cultivars, which was linked to improved mineral (e.g., K+ and Ca2+) acquisition, and heightened activities of enzymatic antioxidants (e.g., superoxide dismutase, catalase, ascorbate peroxidase, glutathione peroxidase, and glutathione S-transferase) and increased levels of non-enzymatic antioxidants (e.g., ascorbic acid, reduced glutathione, phenolics, and flavonoids). LRE also elevated the contents of proline, total free amino acids, total soluble carbohydrates, and water-soluble proteins in both onion bulbs. In general, both cultivars displayed positive responses to LRE pretreatments; however, the Shandaweel cultivar performed better than the Giza 20 cultivar in terms of yield and, to some extent, bulb quality. Collectively, our findings suggest that the application of LRE as biostimulant might be an effective strategy to enhance bulb quality and ultimately the productivity of onion cultivars under field conditions. 相似文献
5.
Santu Maity Dr. Krishnendu Aich Chandraday Prodhan Prof. Keya Chaudhuri Dr. Ajoy Kumar Pramanik Prof. Siddhartha Das Dr. Jhuma Ganguly 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(18):4856-4863
In the present study, the carbazole and 2,3,3-triphenylacrylonitrile (TPAN) nanostructures (2-CTPAN and 2,2′-CTPAN) have been designed and synthesized by Pd-catalyzed Sonogashira cross-coupling reaction. CTPAN exhibit aggregation-induced emission enhancement (AIEE) behavior in water with high fluorescence quantum yield. Both the compounds show tunable self-assembly in water as well as in N,N-dimethylformamide (DMF) by extended π–π stacking interactions. CTPAN can be self-assembled into spherical particles in water and the structures of these self-assemblies have been investigated using X-ray diffraction. Interestingly, 2-CTPAN and 2,2′-CTPAN form organogels with a critical gelation concentration (CGC) of 11 and 15 mg mL−1, respectively, in DMF and exhibit acicular and rod shaped morphology, respectively. The single-crystal structure of 2-CTPAN shows that the intermolecular C−H⋅⋅⋅π interactions lock the molecular conformation into a staircase-shaped supramolecular assembly. These AIEE active compounds reveal high water dispersibility, strong yellow fluorescence with high quantum yield, promising photostability and excellent biocompatibility, which make them potential bioimaging agents. 相似文献
6.
Mondal Animesh Naskar Barnali Goswami Sanchita Prodhan Chandraday Chaudhuri Keya Mukhopadhyay Chhanda 《Molecular diversity》2020,24(1):93-106
Molecular Diversity - A quick access tool for the one-pot, chromatography-free synthesis of the diversified dihydrospiro[indeno[1,2-b]pyridine-4,3′-indoline or... 相似文献
7.
Wan X Xing D Fang Z Li B Zhao F Zhang K Yang L Shi Z 《Journal of the American Chemical Society》2006,128(37):12046-12047
A unique method was discovered to construct polysubstituted pyrroles via an unprecedented multiple deprotonations/deaminations process from commercially available phenethylamines. During this transformation, twelve bonds were broken and five new bonds were constructed. 相似文献
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A catalyst generated in situ from palladium acetate and tricyclohexylphosphine efficiently catalyzes the reduction of carboxylic acids with sodium hypophosphite in the presence of pivalic anhydride to give aldehydes with high selectivity. The low cost and convenient handling of the reagents makes this process a valuable alternative to hydrogenations and metal hydride reductions. 相似文献
10.
Keya Zhang Kathryn M. Nelson Karan Bhuripanyo Kimberly D. Grimes Bo Zhao Courtney C. Aldrich Jun Yin 《Chemistry & biology》2013,20(1):92-101
Highlights? Yeast surface display to engineer substrate recognition of adenylation (A) domains ? Synthesis of bisubstrate inhibitors for yeast selection of A domain library ? Identifying DhbE mutants specific for 3-hydroxybenzoic acid and 2-aminobenzoic acid ? Key residues in A domain for substrate recognition and transfer 相似文献