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71.
Veenu Bala Yashpal S. Chhonker Richard L. Sleightholm Ayrianne J. Crawford Michael A. Hollingsworth Daryl J. Murry 《Biomedical chromatography : BMC》2020,34(8):e4859
A rapid, selective, and sensitive liquid chromatography coupled with tandem mass spectrometry (MS/MS) method was developed and validated for the quantitation of the novel CDK5 inhibitor ‘20–223' in mouse plasma. Separation of analytes was achieved by a reverse-phase ACE Excel C18 column (1.7 μm, 100 × 2.1 mm) with gradient elution using 0.1% formic acid (FA) in methanol and 0.1% FA as the mobile phase. Analytes were monitored by MS/MS with an electrospray ionization source in the positive multiple reaction monitoring mode. The MS/MS response was linear over the concentration range 0.2–500 ng/mL for 20–223. The within- and between-batch precision were within the acceptable limits as per Food and Drug Administration guidelines. The validated method was successfully applied to plasma protein binding and in vitro metabolism studies. Compound 20–223 was highly bound to mouse plasma proteins (>98% bound). Utilizing mouse S9 fractions, in vitro intrinsic clearance (CLint) was 24.68 ± 0.99 μL/min/mg protein. A total of 12 phase I and II metabolites were identified with hydroxylation found to be the major metabolic pathway. The validate method required a low sample volume, was linear from 0.2 to 500 ng/mL, and had acceptable accuracy and precision. 相似文献
72.
Bala Ritu Das Debabrata Karanveer Naskar Nabanita Lahiri Susanta 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(6):2561-2572
Journal of Radioanalytical and Nuclear Chemistry - Natural radionuclide levels are studied in alluvial sediments upto the depth of 900 cm. Eighteen profiles are selected from agricultural... 相似文献
73.
Surbhi Grewal Pravesh Kumar Dr. Saonli Roy Dr. Indu Bala Dr. Chitranjan Sah Dr. Santanu Kumar Pal Dr. Sugumar Venkataramani 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(19):e202104602
Two tripodal C3-symmetric photoswitchable molecular systems T1 and T2 are reported that have extended conjugation at external and internal positions using an acryl group. The influence of the extended π-bonds in their absorption properties, thermal relaxation of the photoisomers and their propensities in forming supramolecular self-assemblies have been explored through spectroscopy, and microscopic studies. In particular, the investigations on the self-assembly have been carried out using scanning electron microscopy (SEM), transmission electron microscopy (TEM), polarized optical microscopy (POM), X-ray diffraction studies (XRD) and atomic force microscopy (AFM). Remarkably, the position of the acryl group influences the behaviour of the two target molecules in supramolecular assembly, and also in the formation of photoresponsive organic hydrogels or microcrystals. 相似文献
74.
Sharoni Gupta Chetna Ameta Pinki Bala Punjabi 《Journal of heterocyclic chemistry》2020,57(6):2410-2427
In the present paper, a novel and benign protocol for microwave enhanced one pot syntheses of 2,3-dihydro-1,5 benzodiazepine derivatives from substituted acetophenones, aryl-aldehydes and o-phenylene diamine using heterogeneous calcium ferrite/graphene oxide (CF/GO) nanocomposite has been reported. The catalyst was prepared by ultrasonication method and characterized by spectral and analytical techniques. The CF/GO nanocomposite was employed for environmentally benign synthesis of 2,3-dihydro-1,5 benzodiazepines. The synthesized benzodiazepine derivatives were screened for their antimicrobial activities against various bacteria and fungi. The present synthetic strategy offered several advantages such as excellent yields in short span of time, simple modus operandi, ease of isolation and purification of products, simple recovery and reusability of the catalyst. A tentative mechanism for synthesis of 2,3-dihydro-1,5 benzodiazepine using CF/GO nanocatalyst has also been proposed. 相似文献
75.
Raj?Pal?SharmaEmail author Rajni?Sharma Ritu?Bala Paloth?Venugopalan 《Journal of chemical crystallography》2005,35(8):595-601
The title compound was synthesized by mixing the separately dissolved trans-dichlorobis(ethylenediamine)cobalt(III) chloride and sodium 4-aminobenzoate in aqueous medium in 1:3 molar ratio and recrystallizing the product obtained, from hot water. Elemental analyses and spectroscopic techniques (IR, UV/visible, 1H and 13C NMR) were used for characterizing the complex salt. X-ray structure determination revealed an ionic structure consisting of [Co(en)2(C7H6NO2)2]+ cation, (C7H6NO2)− anion and four lattice water molecules. The complex salt crystallizes in the triclinic space group P
with cell dimensions a = 9.985(1) Å, b = 11.522(1) Å, c = 14.233(1) Å, α = 80.20(1)∘, β = 72.80(1)∘, γ = 86.43(1)∘, Z = 2, V = 1541.3(2) Å3, R1 = 0.0291, and wR2 = 0.0751. 相似文献
76.
Indu Bala 《Liquid crystals》2016,43(7):963-971
A facile synthesis of a novel covalently linked disc–rod mesogen is reported consisting of a truxene-based core attached to which are six 4-cyanobiphenyl units via flexible alkyl spacers. The compound formed a stable Langmuir monolayer at the air–water interface. The atomic force microscope study on the Langmuir–Blodgett film of the molecule reveals a tilted orientation at air–solid interfaces. 相似文献
77.
We report efficient bulk heterojunction solar cells fabricated by inserting a discotic triphenylene derivative into poly (3-hexylthiophene): [6, 6]- phenyl-C61-butyric acid methyl ester. A layer of molybdenum oxide was inserted between anode and active layer. Power conversion efficiency of 2.0% was achieved for these photovoltaic solar cells containing self-organised discotic liquid crystals in the active layer under one sun condition. The influence of varying the thickness of liquid crystal layer and annealing on these solar cells was also studied. Post annealing the bulk heterojunction devices with discotic liquid crystal layer of thickness 20 nm in them yielded an open circuit voltage of 0.41 V, short circuit current density of 17.0 mA cm?2, a Fill factor of 0.35 and power conversion efficiency of 2.5%. 相似文献
78.
Using a one-pot synthetic approach, a single isomer of bis(diethylenetriamine)cobalt(III) cation, [Co(dien)2]3+ is obtained in bulk from the isomeric mixture (s-fac : u-fac : mer is 7 : 28 : 65) using sodium salts of benzoates (BBz-bromobenzoate, DNBz-dinitrobenzoate, MBz-methylbenzoate) in aqueous medium. Herein, we report the syntheses and characterization of three complexes of composition mer-[Co(dien)2]Cl(p-BBz)2·H2O (1), s-fac-[Co(dien)2](o,p-DNBz)3·H2O (2) and mer-[Co(dien)2]Cl(p-MBz)2·4H2O (3) in the continuation of our earlier work, where benzoate (Bz), p-chlorobenzoate (CBz), p-nitrobenzoate (NBz) and p-aminobenzoate (ABz) were used. The isomeric identification of complex cation was initially made on the basis of spectroscopic characterization (UV–visible, IR and NMR). The binding properties of [Co(dien)2]3+ with benzoates (p-BBz, o,p-DNBz, p-MBz, Bz, CBz, NBz or ABz) have been studied using standard UV–visible spectroscopic titrations in aqueous medium and comparison indicate ion association constants of s-fac > mer. The single-crystal X-ray diffraction structure analysis of 3 reveals the presence of discrete ions ([Co(dien)2]3+, chloride, p-MBz) along with four lattice water molecules. The structure of 3, with formula [Co(dien)2](p-MBz)2Cl·4H2O, consists of alternating layers made of benzoate ions and layers made of [Co(dien)2]3+, chloride and water molecules. These layers result in the formation of their respective columns and intermolecular cohesion of p-MBz within the columns of [Co(dien)2]3+ is achieved via electrostatic and H-bonding interactions. 相似文献
79.
Tripathi AN Chauhan L Thankachan PP Barthwal R 《Magnetic resonance in chemistry : MRC》2007,45(8):647-655
The structural and electronic properties of berberine and berberrubine have been studied extensively using density functional theory (DFT) employing B3LYP exchange correlation. The geometries of these molecules have been fully optimized at the B3LYP/6-311G** level. The chemical shift of 1H and 13C resonances in NMR spectra of these molecules have been calculated using the gauge invariant atomic model (GIAO) method as implemented in Gaussian 98. One- and two-dimensional HSQC (1H-13C), HMBC (1H-13C) and ROESY (1H-1H) spectra were recorded at 500 MHz for the berberine molecule in D(2)O solution. All proton and carbon resonances were unambiguously assigned, and inter-proton distances obtained from ten observed NOE contacts. A restrained molecular dynamics (RMD) approach was used to get the optimized solution structure of berberine. The structure of berberine and berberrubine molecules was also obtained using the ROESY data available in literature. Comparison of the calculated NMR chemical shifts with the experimental values revealed that DFT methods produce very good results for both proton and carbon chemical shifts. The importance of the basis sets to the calculated NMR parameters is discussed. It has been found that calculated structure and chemical shifts in the gas phase predicted with B3LYP/6-311G** are in very good agreement with the present experimental data and the measured values reported earlier. 相似文献
80.
A pentaammineazidocobalt(III) complex, [Co(NH3)5N3](MnO4)2XH2O has been synthesized by an one-pot synthesis method. It was characterized by studies such as infrared (IR) and UV-visible spectroscopy. The single crystal X-ray structure analysis revealed that the title complex crystallizes in space group Cc. The cobalt center is six coordinated with slightly octahedral geometry. The supramolecular architecture is also formed by intermolecular N-H…O (anion and H2O) and Mn-O…O-H hydrogen bonds. The binding property of the cation, [Co(NH3)5N3]2+ with the anion, MnO4– has also been determined (in solution phase) with the help of UV-visible spectroscopic titrations. Further, the genotoxic effects of KMnO4, [Co(NH3)5N3]Cl2 and [Co(NH3)5N3](MnO4)2XH2O were studied using Allium cepa root chromosomal aberration assay and it revealed that the genotoxicity of the newly synthesized complex is 1.97–1.76 fold, which is less compared to KMnO4. The order of genotoxic potential has been observed to be KMnO4 > [Co(NH3)5N3](MnO4)2XH2O > [Co(NH3)5N3]Cl2. 相似文献