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31.
Joachim Loup Uttam Dhawa Fabio Pesciaioli Joanna Wencel‐Delord Lutz Ackermann 《Angewandte Chemie (International ed. in English)》2019,58(37):12803-12818
Molecular syntheses largely rely on time‐ and labour‐intensive prefunctionalization strategies. In contrast, C?H activation represents an increasingly powerful approach that avoids lengthy syntheses of prefunctionalized substrates, with great potential for drug discovery, the pharmaceutical industry, material sciences, and crop protection, among others. The enantioselective functionalization of omnipresent C?H bonds has emerged as a transformative tool for the step‐ and atom‐economical generation of chiral molecular complexity. However, this rapidly growing research area remains dominated by noble transition metals, prominently featuring toxic palladium, iridium and rhodium catalysts. Indeed, despite significant achievements, the use of inexpensive and sustainable 3d metals in asymmetric C?H activations is still clearly in its infancy. Herein, we discuss the remarkable recent progress in enantioselective transformations via organometallic C?H activation by 3d base metals up to April 2019. 相似文献
32.
Physics of the Solid State - Using ab initio technique the physical properties of ScIr2 superconductor have been investigated with Tc 1.03 K with a MgCu2-type structure. We have carried out the... 相似文献
33.
Development of the Vinylogous Pictet–Spengler Cyclization and Total Synthesis of (±)‐Lundurine A
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Aaron Nash Xiangbing Qi Pradip Maity Kyle Owens Prof. Dr. Uttam K. Tambar 《Angewandte Chemie (International ed. in English)》2018,57(23):6888-6891
A novel vinylogous Pictet–Spengler cyclization has been developed for the generation of indole‐annulated medium‐sized rings. The method enables the synthesis of tetrahydroazocinoindoles with a fully substituted carbon center, a prevalent structural motif in many biologically active alkaloids. The strategy has been applied to the total synthesis of (±)‐lundurine A. 相似文献
34.
Purva Vats Bharat Bhushan Asit K. Chakarborti Uttam C. Banerjee 《Journal of separation science》2008,31(22):3829-3833
LC‐MS technique described here is a new way for the separation and direct determination of UV–Vis insensitive inositol phosphates (InsP2‐InsP6). This circumvents the need of radioisotopic labeling and post‐column derivatization techniques. The method involves separation of various enzymatically dephosphorylated derivatives of InsP6 on C18‐column using MeOH/H2O (30:70 v/v) and their identification using electron spray ionization MS in positive ion mode (+pESI‐MS). The LC‐MS studies revealed that the purified phytase from Aspergillus niger van Teighem hydrolyzes InsP6 in a sequential manner leading to InsP2 (InsP2·2Na, tR 4.4–4.54 min, base peak m/z 382.9) as the end product. 相似文献
35.
Chaudhuri RK Freed KF Chattopadhyay S Sinha Mahapatra U 《The Journal of chemical physics》2008,128(14):144304
Multireference M?ller-Plesset (MRMP) perturbation theory [K. Hirao, Chem. Phys. Lett. 190, 374 (1992)] is modified to use improved virtual orbitals (IVOs) and is applied to study ground state potential energy curves for isomerization and dissociation of the N2H2 and C2H4 molecules. In contrast to traditional MRMP or multistate multiconfiguration quasidegenerate perturbation theory where the reference functions are obtained from (often difficult to converge) state averaged multiconfiguration self-consistent field methods, our reference functions are represented in terms of computationally efficient IVOs. For convenience in comparisons with other methods, a first order complete active space configuration interaction (CASCI) calculation with the IVOs is followed by the use of the IVOs in MRMP to incorporate residual electron correlation effects. The potential energy curves calculated from the IVO-MRMP method are compared with computations using state-of-the-art coupled cluster singles and doubles (CCSD) methods and variants thereof to assess the efficacy of the IVO-MRMP scheme. The present study clearly demonstrates that unlike the CCSD and its variants, the IVO-MRMP approach provides smooth and reliable ground state potential energy curves for isomerization of these systems. Although the rigorously size-extensive completely renormalized CC theory with noniterative triples corrections (CR-CC(2,3)) likewise provides relatively smooth curves, the CR-CC(2,3) calculations overestimate the cis-trans barrier height for N2H2. The ground state spectroscopic constants predicted by the IVO-CASCI method agree well with experiment and with other highly correlated ab initio methods. 相似文献
36.
37.
Gurumurthy Hegde Govindaswamy Shanker S. M. Gan A. R. Yuvaraj Syed Mahmood Uttam Kumar Mandal 《Liquid crystals》2016,43(11):1578-1588
Azobenzene derivatives containing phenyl/4-halogen-phenyl 4-{(E)-[4-(pent-4-en-1-yloxy)phenyl]diazenyl}benzoate group with different electronegative substituent (H, F, Cl, Br and I) at other end was synthesised. These azo-based benzoate derivatives have been characterised by FTIR, 1H-NMR, 13C-NMR, elemental analyser, POM and UV-Vis spectroscopy. Photosaturation at 358 nm obtained after 82 s of UV irradiation and the longest thermal back relaxation time of 45 h recorded by UV-Vis. The azo derivative could be possible photolock under UV light, as observed by the improved thermal back relaxation time. The resulting photolockable chain of azobenzene might prove valuable in the development of optical device application. These azobenzene moieties also exhibit liquid crystalline behaviour with respect to the halogen substitution as an electron withdrawing group shows that strong structure property relationship exists among them. 相似文献
38.
Undare Santosh S. Valekar Navnath J. Patravale Ajinkya A. Jamale Dattatraya K. Vibhute Sunil S. Walekar Laxman S. Kolekar Govind B. Deshmukh M. B. Anbhule Prashant V. 《Research on Chemical Intermediates》2016,42(5):4373-4386
Research on Chemical Intermediates - A simple methodology has been developed for the synthesis of diverse members of multifunctionalized 4-hydroxy-2-methyl-6-(phenyl)pyrimidine-5-carbonitrile... 相似文献
39.
Manjunath D. Meti Sharanappa T. Nandibewoor Shrinivas D. Joshi Uttam A. More Shivamurti A. Chimatadar 《Journal of the Iranian Chemical Society》2016,13(7):1325-1338
This study was designed to examine the interaction of histamine H2-receptor antagonist drug ranitidine (RTN) with human serum albumin by multi-spectroscopic methods. The experimental results showed the involvement of dynamic quenching mechanism which was further confirmed by lifetime spectral studies. The binding constants (K a) at three temperatures (288, 298, and 308 K) were 2.058 ± 0.020, 4.160 ± 0.010 and 6.801 ± 0.011 × 104 dm3 mol?1, respectively, and the number of binding sites (m) were 1.169, respectively; thermodynamic parameters ΔH 0 (44.152 ± 0.047 kJ mol?1), ΔG 0 (?26.214 ± 0.040 kJ mol?1), and ΔS 0 (236.130 ± 0.025 J K?1 mol?1) were calculated. The distance r between donor and acceptor was obtained (r = 3.40 nm) according to the Förster theory of non-radiative energy transfer. Synchronous fluorescence, CD, AFM and 3D fluorescence spectral results revealed the changes in secondary structure of the protein upon interaction with RTN. A molecular modeling study further confirmed the binding mode obtained by the experimental studies. 相似文献
40.
Anirbandeep Bose Uttam Bhaumik Animesh Ghosh Bappaditya Chatterjee Uday Sankar Chakrabarty Amlan Kanti Sarkar Tapan Kumar Pal 《Chromatographia》2009,69(11-12):1233-1241
A rapid, simple, sensitive and specific liquid chromatography–tandem mass spectrometry method was developed and validated for simultaneous quantification of itopride hydrochloride and domperidone in human plasma. Both drugs were extracted by liquid–liquid extraction with ethyl acetate and saturated borax solution. The chromatographic separation was performed on a reversed-phase C18 column with a mobile phase of water–methanol (2:98, v/v) containing 0.5% formic acid. The protonated analyte was quantitated in positive ionization by multiple reaction monitoring with a mass spectrometer. The assay exhibited linearity over the concentration range of 3.33–500 ng mL?1 for itopride hydrochloride and 3.33–100 ng mL?1 for domperidone in human plasma. The precursor to product ion transitions of m/z 359.1–72.3 and 426.0–147.2 were used to measure itopride hydrochloride and domperidone respectively. The method was found suitable for the analysis of plasma samples collected during phase 1 pharmacokinetics study of itopride HCl 50 mg and domperidone 20 mg in 12 healthy volunteers after single oral doses of the combination drug. 相似文献