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71.
Zhenghai Yang Chao He Srinivas Doddipatla Vladislav S. Krasnoukhov Prof. Valeriy N. Azyazov Prof. Alexander M. Mebel Prof. Ralf I. Kaiser 《Chemphyschem》2020,21(17):1898-1904
The methylgermylene species (HGeCH3; X1A′) has been synthesized via the bimolecular gas phase reaction of ground state methylidyne radicals (CH) with germane (GeH4) under single collision conditions in crossed molecular beams experiments. Augmented by electronic structure calculations, this elementary reaction was found to proceed through barrierless insertion of the methylidyne radical in one of the four germanium-hydrogen bonds on the doublet potential energy surface yielding the germylmethyl (CH2GeH3; X2A′) collision complex. This insertion is followed by a hydrogen shift from germanium to carbon and unimolecular decomposition of the methylgermyl (GeH2CH3; X2A′) intermediate by atomic hydrogen elimination leading to singlet methylgermylene (HGeCH3; X1A′). Our investigation provides a glimpse at the largely unknown reaction dynamics and isomerization processes of the carbon-germanium system, which are quite distinct from those of the isovalent carbon system thus providing insights into the intriguing chemical bonding of organo germanium species on the most fundamental, microscopic level. 相似文献
72.
Suresh P S Ravi Kumar Trivedi Nuggehally R. Srinivas Ramesh Mullangi 《Biomedical chromatography : BMC》2020,34(1):e4742
Quantitation of drugs used for the treatment of chronic lymphocytic leukemia in various biological matrices during both pre-clinical and clinical developments is very important, often in routine therapeutic drug monitoring. The first developed methods for quantitation were traditionally done on LC in combination with either UV or fluorescence detection. However, the emergence of LC with mass spectrometry in tandem in early 1990s has revolutionized the quantitation as it has provided better sensitivity and selectivity within a shorter run time; therefore it has become the choice of method for the analysis of various drugs. In this article, an overview of various bioanalytical methods (HPLC or LC–MS/MS) for the quantification of drugs for the treatment of chronic lymphocytic leukemia, along with applicability of these methods, is given. 相似文献
73.
Vinay Kiran Narayanan Balaji Bhavesh Babulal Gabani Manjuanth Bajantri Rajesh Chandran Abhishek Dixit Nuggehally R. Srinivas Ramesh Mullangi 《Biomedical chromatography : BMC》2020,34(9):e4879
We developed and validated a simple, sensitive, selective, and reliable LC–MS/MS–ESI method for the direct quantitation of lumefantrine (LFN) enantiomers [(−)-LFN and (+)-LFN] in mice plasma as per regulatory guideline. LFN enantiomers and carbamazepine (internal standard) were extracted from mice plasma using Strata X SPE (solid-phase extraction) cartridges. Good resolution between enantiomers was achieved on a Chiralpak IA-3 column using an isocratic mobile phase (0.1% of diethyl amine in methanol), which was delivered at a flow rate of 0.8 mL/min. Detection and quantitation were performed using multiple reaction monitoring mode following the transitions m/z 530.27 → 512.30 and 237.00 → 194.00 for LFN enantiomers and the internal standard, respectively, in the positive-ionization mode. The proposed method provided accurate and reproducible results over the linearity range of 2.39–895 ng/mL for each enantiomer. The intra- and inter-day precisions were in the range of 1.03–6.14 and 6.36–8.70 and 2.03–4.88 and 5.82–11.5 for (−)-LFN and (+)-LFN, respectively. Both (−)-LFN and (+)-LFN were found to be stable under different stability conditions. The method was successfully used to delineate stereoselective pharmacokinetics of LFN enantiomers in mice after an oral administration of rac-LFN (20 mg/kg). The pharmacokinetic results indicated that the disposition of LFN enantiomers was stereoselective in mice. 相似文献
74.
Bhavesh Babulal Gabani Neeraj Kumar Saini Ravi Kumar Jairam Pavan Shrinivas Ravi Kumar Trivedi Nuggehally R. Srinivas Ramesh Mullangi 《Biomedical chromatography : BMC》2020,34(11):e4939
A selective, sensitive and rapid LC–MS/MS method has been developed and validated as per US Food and Drug Administration regulatory guidelines for the simultaneous quantitation of colchicine and febuxostat in rat plasma. Colchicine and febuxostat were extracted from the rat plasma using 10% tert-butyl methyl ether in ethyl acetate using colchicine-d6 as an internal standard (IS). The chromatographic separation of colchicine, febuxostat and the IS was achieved using a mobile phase comprising 5 mm ammonium formate and 0.025% formic acid in acetonitrile (20:80, v/v) in isocratic mode on an Eclipse XDB-C18 column. The injection volume and flow rate were 5.0 μl and 0.9 ml/min, respectively. Colchicine and febuxostat were detected by positive electrospray ionization in multiple reaction monitoring mode using transition pairs (Q1 → Q3) of m/z 400.10 → 358.10 and 317.05 → 261.00, respectively. The assay was linear in the ranges of 0.25–254 and 2.60–622 ng/ml for colchicine and febuxostat, respectively. The inter- and intra-day precision values were 0.58–13.0 and 1.03–4.88% for colchicine and febuxostat, respectively. No matrix or carryover effects were observed during the validation. Both analytes were stable on the bench-top, in the autosampler and in storage (freeze–thaw cycles and long-term storage at −80 ° C). A pharmacokinetic study in rats was performed to show the applicability of the validated method. 相似文献
75.
M. Subrahmanyam S. J. Kulkarni B. Srinivas 《Reaction Kinetics and Catalysis Letters》1993,49(2):455-459
N-(2-hydroxyethyl) ethylenediamine reaction was observed over zeolite catalysts giving rise to only dehydrocyclization and over chromite catalysts showing dehydrocyclization together with dehydrogenation. The major product changes from the cyclized compound piperazine to pyrazine when the reactant is switched from zeolite to chromite catalyst. This process stands as a model reaction for characterizing lone acid sites and adjacent acid-base sites over zeolite and chromite catalysts, respectively.IICT Communication No. 3175 相似文献
76.
Matthew N. Idso Ajay Suresh Akhade Mario L. Arrieta-Ortiz Bert T. Lai Vivek Srinivas James P. Hopkins Jr. Ana Oliveira Gomes Naeha Subramanian Nitin Baliga James R. Heath 《Chemical science》2020,11(11):3054
Antibiotic resistant infections are projected to cause over 10 million deaths by 2050, yet the development of new antibiotics has slowed. This points to an urgent need for methodologies for the rapid development of antibiotics against emerging drug resistant pathogens. We report on a generalizable combined computational and synthetic approach, called antibody-recruiting protein-catalyzed capture agents (AR-PCCs), to address this challenge. We applied the combinatorial protein catalyzed capture agent (PCC) technology to identify macrocyclic peptide ligands against highly conserved surface protein epitopes of carbapenem-resistant Klebsiella pneumoniae, an opportunistic Gram-negative pathogen with drug resistant strains. Multi-omic data combined with bioinformatic analyses identified epitopes of the highly expressed MrkA surface protein of K. pneumoniae for targeting in PCC screens. The top-performing ligand exhibited high-affinity (EC50 ∼50 nM) to full-length MrkA, and selectively bound to MrkA-expressing K. pneumoniae, but not to other pathogenic bacterial species. AR-PCCs that bear a hapten moiety promoted antibody recruitment to K. pneumoniae, leading to enhanced phagocytosis and phagocytic killing by macrophages. The rapid development of this highly targeted antibiotic implies that the integrated computational and synthetic toolkit described here can be used for the accelerated production of antibiotics against drug resistant bacteria.Antibody-recruiting protein-catalyzed capture agent (AR-PCCs) are a new class of all-synthetic and highly targeted antibiotics that recruit endogenous immune responses to eliminate drug-resistant microbes. 相似文献
77.
Gantasala N. Srinivas 《Journal of organometallic chemistry》2006,691(11):2503-2511
η2 π-Complexes of Ge2H2 with the organometallic fragments V(PH3)2(I)(CO)2, Cr(CO)4, Co(PH3)2(Cl) and M(PH3)2 (M = Ni, Pd, Pt) have been studied at the B3LYP level using the SBKJC relativistic effective core potentials and their associated basis sets on metals and iodine, and the 6-31G(d) basis set on all other elements. The transition metal fragments of V, Cr, Co, Ni, Pd and Pt were chosen based on known alkyne compounds. All the complexes are local minima for both the HGeGeH and GeGeH2 isomers of the Ge2H2 ligand. The complexes containing GeGeH2 isomer as a ligand are lower in energy than those with the HGeGeH ligand (except in the V complex in which the difference is only 1.0 kcal/mol). There is a net charge transfer from ligand to metal in complexes V-Co and from metal to ligand in late transition metal complexes (Ni-Pt). 相似文献
78.
Vittal S Shitut NR Kumar TR Vinu MC Mullangi R Srinivas NR 《Biomedical chromatography : BMC》2006,20(11):1252-1259
A simple, sensitive and specific high-performance liquid chromatography method is described for simultaneous determination of rosuvastatin (RST) and gemfibrozil (GFZ) in human plasma using celecoxib as an internal standard (IS). The assay procedure involved extraction of RST, GFZ and IS from plasma into acetonitrile. Following separation and evaporation of the organic layer the residue was reconstituted in the mobile phase and injected onto an X-Terra C(18) column (4.6 x 150 mm, 5.0 microm). The chromatographic run time was less than 20 min using flow gradient (0.0-1.60 mL/min) with a mobile phase consisting of 0.01 M ammonium acetate:acetonitrile:methanol (50:40:10, v/v/v) and UV detection at 275 nm. Nominal retention times of RST, GFZ and IS were 6.7, 13.9 and 16.4 min, respectively. Absolute recovery of both analytes and IS was greater than 90%. The lower limit of quantification (LLOQ) of RST and GFZ was 0.03 and 0.30 microg/mL, respectively. Linearity was excellent (r(2) = 0.999) in the 0.03-10 microg/mL and 0.3-100 microg/mL ranges for RST and GFZ, respectively. The inter- and intra-day precisions in the measurement of RST quality control (QC) samples 0.03, 0.09, 2.50 and 8.00 microg/mL were in the range 2.37-9.78% relative standard deviation (RSD) and 0.92-10.08% RSD, respectively. Similarly, the inter- and intra-day precisions in the measurement of GFZ quality control (QC) samples 0.30, 0.90, 25.0 and 80.0 microg/mL were in the ranges 2.79-6.27 and 0.96-9.69% RSD, respectively. Accuracies in the measurement of QC samples for RST and GFZ were in the range 85.43-107.23 and 84.98-102.35% respectively, of the nominal values. RST and GFZ were stable in the array of stability studies viz., bench-top, auto-sampler and freeze-thaw cycles. Stability of RST and GFZ was established for 1 month at -80C. The application of the assay in an oral pharmacokinetic study in rats co-administered with RST and GFZ is described. 相似文献
79.
A highly sensitive and specific LC-MS/MS method has been developed and validated for the estimation of torcetrapib (TTB) with 100 microL hamster/dog plasma using DRL-16126 as an internal standard (IS). The API-4000 Q Trap LC-MS/MS was operated under multiple-reaction monitoring mode using the electrospray ionization technique. The assay procedure involved extraction of TTB and IS from plasma with acetonitrile, which yielded consistent recoveries of 65.73 and 94.01% for TTB and 79.68 and 90.70% for IS in hamster and dog plasma, respectively. The total chromatographic run time was 3.0 min and the elution of TTB and IS occurred at approximately 2.25 and 2.20 min, respectively. The resolution of peaks was achieved with 0.01 m ammonium acetate:acetonitrile (15:85, v/v) at a flow rate of 0.40 mL/min on an Inertsil ODS-3 column. The method was proved to be accurate and precise at linearity range of 1.00-200 ng/mL with a correlation coefficient (r) of > or = 0.993. The method was rugged with 1.00 ng/mL as the lower limit of quantitation. TTB was stable in the battery of stability studies. The application of the assay to preclinical pharmacokinetic studies confirmed the utility of the assay to derive hamster/dog pharmacokinetic parameters. 相似文献