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121.
Dev Raj Alok Kumar Rohit Kumar Singh Abhishek Singh Bhadouria A.S.K. Sinha Deepak Dwivedi 《Current Opinion in Electrochemistry》2022
As the application of electrocatalyst continues to expand, envisaging the hidden mechanisms occurring at various length scale affecting the catalytic efficiency became important. To enhance the stability of electrocatalyst and reduce the cost, it is of paramount importance to reveal the active site's dynamics (using in situ techniques for getting the real-time information) which directly affect the reactions such as oxygen evolution reaction, hydrogen evolution reaction, and so on. Since such reactions are crucial for many engineering and scientific applications, in situ characterization techniques are required, which could capture such reactions happening at a different length and time scale. This article analyzes the recent progress made in the field of electrocatalyst's characterization using in situ neutron techniques. The article also paves the future path and has delineated the future challenges involved in multiscale correlative techniques (e.g., neutron techniques in the combination of synchrotron or microscopic techniques) used for getting the multiscale (atomic to micrometer range) mechanistic information about the electrocatalyst's working and degradation. 相似文献
122.
Designs, Codes and Cryptography - We propose a deterministic algorithm to recover some state bits of any FSR-based stream cipher knowing some keystream bits by fixing some state bits. This... 相似文献
123.
Sharvan Kumar Vikas Malik Jyoti Shukla Yogendra Kumar Deepak Bansal Prof. Dr. Ratnamala Chatterjee Prof. Dr. Pritam Mukhopadhyay 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(18):4740-4750
Organic spin-based molecular materials are considered to be attractive for the generation of functional materials with emergent optoelectronic, magnetic, or magneto-conductive properties. However, the major limitations to the utilization of organic spin-based systems are their high reactivity, instability, and propensity for dimerization. Herein, we report the synthesis, characterization, and magnetic and electronic studies of three ambient stable radical ions ( 1 a.+ , 1 b.+ , and 1 c.+ ). The radical ions 1 b.+ and 1 c.+ with BPh4− and BF4− counter anions, respectively, were synthesized in excellent yields by means of anion metathesis of 1 a.+ with Br− as its counter anion. Notably, synthesis of 1 a.+ was achieved in an ecofriendly, solvent-free protocol. The radical ions were characterized by means of single-crystal X-ray diffraction studies, which revealed the discrete nature of the radical ions and extensive hydrogen-bonding interactions within the radical ions and with the counter anions. Thus, radical ions can be organized to form infinite supramolecular arrays using weak noncovalent interactions. In addition, the Br−, BF4−, and BPh4− anions formed diverse types of anion–π interactions with the naphthalene and imide rings of the radical ions. The radical ions were characterized by means of X-band electron paramagnetic resonance (EPR) spectroscopy in solution and in the solid state. Magnetic studies revealed their paramagnetic nature in the range of 10 to 300 K. The radical ions exhibited high resistivity approaching the gigaohm (GΩ) scale. In addition, the radical ions exhibited panchromism. 相似文献
124.
Bob Boyd Gareth Brenton Eddie Clayton Jonathan Curtis R. M. Elliott G. A. Errock B. N. Green R. H. Bateman Simon J. Gaskell Iwan Griffiths Zdenek Herman Philip Jonathan Rich Kondrat Mila Laušević Chris Lock Deepak Mathur John F. J. Todd Károly Vékey 《Rapid communications in mass spectrometry : RCM》2016,30(11):1253-1264
125.
Ageratum conyzoides L. and Its Secondary Metabolites in the Management of Different Fungal Pathogens
Rubal Chahal Arun Nanda Esra Küpeli Akkol Eduardo Sobarzo-Snchez Ashwani Arya Deepak Kaushik Rohit Dutt Rashmi Bhardwaj Md. Habibur Rahman Vineet Mittal 《Molecules (Basel, Switzerland)》2021,26(10)
Ageratum conyzoides L. (Family—Asteraceae) is an annual aromatic invasive herb, mainly distributed over the tropical and subtropical regions of the world. It owns a reputed history of indigenous remedial uses, including as a wound dressing, an antimicrobial, and mouthwash as well as in treatment of dysentery, diarrhea, skin diseases, etc. In this review, the core idea is to present the antifungal potential of the selected medicinal plant and its secondary metabolites against different fungal pathogens. Additionally, toxicological studies (safety profile) conducted on the amazing plant A. conyzoides L. are discussed for the possible clinical development of this medicinal herb. Articles available from 2000 to 2020 were reviewed in detail to exhibit recent appraisals of the antifungal properties of A. conyzoides. Efforts were aimed at delivering evidences for the medicinal application of A. conyzoides by using globally recognized scientific search engines and databases so that an efficient approach for filling the lacunae in the research and development of antifungal drugs can be adopted. After analyzing the literature, it can be reported that the selected medicinal plant effectively suppressed the growth of numerous fungal species, such as Aspergillus, Alternaria, Candida, Fusarium, Phytophthora, and Pythium, owing to the presence of various secondary metabolites, particularly chromenes, terpenoids, flavonoids and coumarins. The possible mechanism of action of different secondary metabolites of the plant against fungal pathogens is also discussed briefly. However, it was found that only a few studies have been performed to demonstrate the plant’s dosage and safety profile in humans. Considered all together, A. conyzoides extract and its constituents may act as a promising biosource for the development of effective antifungal formulations for clinical use. However, in order to establish safety and efficacy, additional scientific research is required to explore chronic toxicological effects of ageratum, to determine the probability of interactions when used with different herbs, and to identify safe dosage. The particulars presented here not only bridge this gap but also furnish future research strategies for the investigators in microbiology, ethno-pharmacology, and drug discovery. 相似文献
126.
Sharma Deepak Sharma Naresh Brahmbhatt D. I. Gupta Vivek K. 《Crystallography Reports》2019,64(7):1047-1050
Crystallography Reports - The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The structure was solved by direct method and refined to a final... 相似文献
127.
Priyabrata Pattanaik Sabita Nayak Deepak Ranjan Mishra Pravati Panda Bishnu Prasad Raiguru Nilima Priyadarsini Mishra Seetaram Mohapatra N. Arjunreddy Mallampudi Chandra Shekhar Purohit 《Tetrahedron letters》2018,59(27):2688-2694
A competent and highly discriminating one-pot synthesis of highly diversified novel functionalized indenoquinoxalone grafted spiropyrrolidine linked chromene-3-carbonitrile conjugates accumulating three pharmocophoric cores, heterocyclic indenoquinoxalone, pyrrolidines and chromene-3-carbonitrile in a single molecular framework by means of 1,3-dipolar cycloaddition reaction between indenoquinoxalone, proline/benzyl amine and chromene-3-carbonitrile in ethanol under classical and microwave conditions is described. The three component 1,3-dipolar cycloaddition reaction proceeds via in situ generation of azomethine ylides by the decarboxylative condensation of indenoquinoxalone with proline/benzyl amine and their selectivity towards the endo cyclic double bonds of dipolarophile (chromene-3-carbonitrile) leading to the formation of highly functionalised regio- and diastereoselective molecular hybrids. This methodology exemplifies the green chemistry protocol such as mild reaction conditions, high yields, one-pot procedure and operational simplicity. 相似文献
128.
Stable homogeneous amorphous alloy1 films of Ge with different concentrations of Al, Cu and Fe have been prepared by the simultaneous vapor deposition technique. Ge-Metal films are amorphous up to a concentration of ~ 40 at.% Al, ~ 20 at.% Cu and ~ 20 at.% Fe. The cyclic annealing and crystallization temperature of these films show that whereas Al increases the stability of the amorphous phase, the addition of Cu and Fe decreases it. The electrical resistivity decreases gradually with increasing Al content. In contrast, a rapid decrease in the electrical resistivity is observed for the Ge-Cu and Ge-Fe systems. The thermoelectric power (TEP) of Ge-Cu and Ge-Fe system assumes small values ~ few μV/deg for concentrations greater than few atomic percent. Ge-Al system exhibits large positive thermoelectric power at all compositions. The temperature dependence of the electrical resistivity of these alloy films show that the addition of Cu and Fe to Ge results in a drastic decrease in the activation energy of conduction whereas the addition of Al increases the activation energy. Ge-Al films exhibit intrinsic like conduction in the temperature range 100–300 K. The Ge-Cu and Ge-Fe films exhibit hopping conduction from 100–300 K and the related density of states is up to 100 times larger than in pure a-Ge films. 相似文献
129.
B. Josephson G. Jungner J. G. Reinhold D. W. Wilson L. Cuny Y. Abe S. Kawaguchi A. v. Christiani V. Anger O. Rosenheim R. Ehrström K. Täufel H. Thaler G. Widmann E. Kirk W. R. Bloor H. H. Williams B. N. Erickson I. Avrin S. S. Bernstein I. G. Macy G. Ellis L. A. Maynard R. N. Chopra A. C. Roy R. Feulgen H. Grünberg K. Imhäuser C. A. Grau V. Oliva E. Epstein H. Lieb 《Analytical and bioanalytical chemistry》1941,122(3-4):149-160
130.
We present a method for simultaneous three-dimensional (3D) structure generation and pharmacophore-based alignment using a self-organizing algorithm called Stochastic Proximity Embedding (SPE). Current flexible molecular alignment methods either start from a single low-energy structure for each molecule and tweak bonds or torsion angles, or choose from multiple conformations of each molecule. Methods that generate structures and align them iteratively (e.g., genetic algorithms) are often slow. In earlier work, we used SPE to generate good-quality 3D conformations by iteratively adjusting pairwise distances between atoms based on a set of geometric rules, and showed that it samples conformational space better and runs faster than earlier programs. In this work, we run SPE on the entire ensemble of molecules to be aligned. Additional information about which atoms or groups of atoms in each molecule correspond to points in the pharmacophore can come from an automatically generated hypothesis or be specified manually. We add distance terms to SPE to bring pharmacophore points from different molecules closer in space, and also to line up normal/direction vectors associated with these points. We also permit pharmacophore points to be constrained to lie near external coordinates from a binding site. The aligned 3D molecular structures are nearly correct if the pharmacophore hypothesis is chemically feasible; postprocessing by minimization of suitable distance and energy functions further improves the structures and weeds out infeasible hypotheses. The method can be used to test 3D pharmacophores for a diverse set of active ligands, starting from only a hypothesis about corresponding atoms or groups. 相似文献