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1.
Patra S Sarkar B Ghumaan S Patil MP Mobin SM Sunoj RB Kaim W Lahiri GK 《Dalton transactions (Cambridge, England : 2003)》2005,(7):1188-1194
The isomeric title complexes were obtained in almost equimolar ratio from the reaction of Ru(trpy)Cl3 and L. Crystal structure analyses of the perchlorate hemihydrates, electrochemical and spectroscopic (NMR, UV/VIS, EPR) studies, supported by DFT calculations, reveal distinct differences between the isomeric redox series [1]n+(tetrazine-Nt trans to Cl) and [2]n+(pyrazolyl-Np trans to Cl; n= 0, 1, 2). The latter system with the pi acceptors trpy and tetrazine in the equatorial plane and the pyrazolyl and chloride donors in the axial positions exhibits facilitated oxidation, lower energy MLCT transitions, more balanced chelate coordination, and a higher g anisotropy in the oxidised (RuIII) state. According to partially resolved EPR spectra of one-electron reduced neutral compounds and they have the unpaired electron predominantly in the tetrazine ring of L. 相似文献
2.
We designed and synthesized a series of triazole-based receptors for anion recognition. Our studies demonstrated that an amide-linked triazole unit is a promising moiety for anion recognition. We synthesized various chromogenic and non-chromogenic receptors based on this moiety. Receptor 11 binds very strongly (K = 102,750 M−1) to fluoride. Receptor 18 changes color from faint yellow to orange upon binding to fluoride. 相似文献
3.
Beomsue Kim Masahiro Fukuda Jung‐Yeol Lee Dongdong Su Srikanta Sanu Aymeric Silvin Audrey T. T. Khoo Taejoon Kwon Xiao Liu Weijie Chi Xiaogang Liu Sejong Choi Diana S. Y. Wan Sung‐Jin Park Jin‐Soo Kim Florent Ginhoux H. Shawn Je Young‐Tae Chang 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(24):8056-8060
Microglia, the brain‐resident macrophage, are involved in brain development and contribute to the progression of neural disorders. Despite the importance of microglia, imaging of live microglia at a cellular resolution has been limited to transgenic mice. Efforts have therefore been dedicated to developing new methods for microglia detection and imaging. Using a thorough structure–activity relationships study, we developed CDr20, a high‐performance fluorogenic chemical probe that enables the visualization of microglia both in vitro and in vivo. Using a genome‐scale CRISPR‐Cas9 knockout screen, the UDP‐glucuronosyltransferase Ugt1a7c was identified as the target of CDr20. The glucuronidation of CDr20 by Ugt1a7c in microglia produces fluorescence. 相似文献
4.
In this work, we address two critical aspects of calculation of the free energy differences in molecular systems from molecular simulations. The first aspect involves checking whether the calculated free energy difference depends significantly on the extent of perturbation used for accomplishment of a given transformation. The second aspect of interest is to verify if the sampling errors in calculating the free energy differences between the wild-type molecule and a mutated one in its free state and in a complex are similar, or not, for a finite-length dynamic simulation. The reliability of the free energy estimates obtained from molecular simulations using thermodynamic cycles depends in part on this fact. For investigating these aspects, we use a self-transformation scheme in which a transformation of a part of a molecular system into itself is considered. We perform MD simulations of DNA fragments in which a part of a specific base is subjected to such a self-transformation. Results indicate that the estimated free energy differences do not depend significantly on the extent of perturbation used to achieve the transformation. Interestingly, the variation in the cumulative free energy difference, ΔA, with the coupling parameter, λ, depends significantly on the extent of perturbation. We examine the physical basis of the observed nature of the variation of the accumulated free energy difference, ΔA, against the λ value in the case of a self-transformation. In a thermodynamic cycle, the sampling errors due to the finite-length simulation for the molecular system are found to be similar to each other for the two perturbations (free and in a complex) justifying the use of such approach in calculating ΔΔA in molecular complexes. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 877–885, 1999 相似文献
5.
Panicker Devyani Ramachandran Mahesh Doddadasarahalli Muniyappa Sreelekha Kanapadinchareveetil Suresh Narayanan Nair Karapparambu Gopalan Ajithkumar Sujith Samraj Anoopraj Rajappan Anju Varghese Deepa Chundayil Kalarickal Reghu Ravindran Srikanta Ghosh Sanis Juliet 《Molecules (Basel, Switzerland)》2021,26(16)
Prostaglandins are a group of important cell-signaling molecules involved in the regulation of ovarian maturation, oocyte development, egg laying and associated behaviors in invertebrates. However, the presence of prostaglandin E2 (PGE2), the key enzymes for PGE2 biosynthesis and its interference by drugs were not investigated previously in the ovary of ticks. The present study was undertaken to assess the modulation of the PGE2-mediated pathway in the eclosion blocking effect of flumethrin and terpenoid subfraction isolated from Artemisia nilagirica in Rhipicephalus annulatus ticks. The acaricidal activities and chemical profiling of the terpenoid subfraction were performed. The localization of the cyclooxygenase1 (COX1) and prostaglandin E synthase (PGES) enzymes and the quantification of PGE2 in the ovaries of the ticks treated with methanol (control), flumethrin and terpenoid subfraction were also undertaken. In addition, the vitellogenin concentration in hemolymph was also assayed. Both flumethrin and the terpenoid subfraction of A. nilagirica elicited a concentration-dependent inhibition of fecundity and blocking of hatching of the eggs. The COX1 could not be detected in the ovaries of treated and control ticks, while there was no significant difference observed in the concentration of vitellogenin (Vg) in them. The presence of PGES in the oocytes of control ticks was confirmed while the immunoreactivities against PGES were absent in the vitellogenic oocytes of ticks treated with flumethrin and terpenoid subfraction. The levels of PGE2 were below the detection limit in the ovaries of the flumethrin-treated ticks, while it was significantly lower in the ovaries of the terpenoid subfraction-treated ticks. Hence, the prostaglandin E synthase and PGE2 were identified as very important mediators for the signaling pathway for ovarian maturation and oviposition in ticks. In addition, the key enzyme for prostaglandin biosynthesis, PGES and the receptors for PGE2 can be exploited as potential drug targets for tick control. The detection of PGES by immunohistochemistry and quantification of PGE2 by LC-MSMS can be employed as valuable tools for screening newer compounds for their eclosion blocking acaricidal effects. 相似文献
6.
We report cystine-based macrocyclic compounds showing very unique self-assembling behavior. 24-membered disulfide macrocycle 3 shows a helical and tubular organization and also forms an insoluble plaque that is birefringent with congo red dye. 48-membered macrocycle 4 shows a vesicle-like assembly with capability for encapsulation, as demonstrated by rhodamine B encapsulation. 相似文献
7.
Poonia Nisha Lal Kashmiri Kumar Ashwani Kumar Anil Sahu Srikanta Baidya Anurag T. K. Kumar Rajnish 《Molecular diversity》2022,26(5):2375-2391
Molecular Diversity - Some urea-thiazole/benzothiazole hybrids with a triazole linker were synthesized via Cu(I)-catalysed click reaction. After successfully analysed by various spectral techniques... 相似文献
8.
Tripathy Debajani Chakroborty Subhendu Gadtya Ankita Subhrasmita Mahaling Ram Naresh Moharana Srikanta Barik Arundhati Pal Kaushik 《The European physical journal. E, Soft matter》2023,46(3):1-13
The European Physical Journal E - We discuss the lateral dynamics of two active force dipoles, which interact with each other via hydrodynamic interactions in a thin fluid layer that is active and... 相似文献
9.
K.C. Majumdar Srikanta Samanta Raj Kumar Nandi Buddhadeb Chattopadhyay 《Tetrahedron letters》2010,51(29):3807-3810
Palladium-catalyzed IBX-induced intramolecular oxidative amination of alkenes has been utilized for the synthesis of pyrrolocoumarin and pyrroloquinolone derivatives in excellent yields in a short reaction time. 相似文献
10.
Two efficacious synthetic methodologies for the construction of medium-sized nitrogen heterocycles dibenzoazocinones have been developed. The phosphine-assisted protocol afforded better yields of the dibenzoazocinones (73-82%). 相似文献