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161.
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
162.
Satyanarayana A. V. S. Rao M. Jagannadha Mouli K. Chandra 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(3):1509-1513
Journal of Radioanalytical and Nuclear Chemistry - 相似文献
163.
Lakshminarayanan Gowtham Das Ujjalkumar Laxmi Moksha Tapas Kumar Roy Nabanita Halder Thirumurthy Velpandian 《Journal of separation science》2022,45(6):1210-1221
4-Hydroxy isoleucine is one of the potent hypoglycemic active constituents of fenugreek seeds. A method capable of reducing biological interferences is required for bioavailability studies. An isocratic separation of 4-hydroxy isoleucine from endogenous interferences was achieved in ZIC-cHILIC column using 0.1% formic acid in water and acetonitrile (20:80, % v/v) pumped at 0.5 ml/min. Quantification was performed in multiple reaction monitoring mode using the transitions of m/z 148.1→102.1 and m/z 276.1→142.2 for 4-hydroxy isoleucine and homatropine (as internal standard), respectively. After full method validation, 4-hydroxy isoleucine levels in human plasma and commercial fenugreek formulations were determined. This method showed good linearity in the range of 50–2000 ng/mL. Intra- and interday accuracies were in the range of 90.64–109.0% and precision was <4.82% CV. The mean (SD) plasma concentration of 4-hydroxy isoleucine in healthy individuals at 2 h after oral administration of fenugreek tablet was found to be 1590 (260) ng/mL. Half of marketed formulations were found to contain <0.05% of 4-hydroxy isoleucine content. We developed a rapid hydrophilic interaction liquid chromatography–tandem mass spectrometry method for analysis of 4-hydroxy isoleucine in human plasma. This method can be applied directly to conduct the clinical pharmacokinetics studies of 4-hydroxy isoleucine in human population. 相似文献
164.
Lauren M. Reid Ileana Guzzetti Tor Svensson Anna-Carin Carlsson Wu Su Tomas Leek Lena von Sydow Werngard Czechtizky Marija Miljak Chandra Verma Leonardo De Maria Jonathan W. Essex 《Chemical science》2022,13(7):1957
Understanding the conformational ensembles of intrinsically disordered proteins and peptides (IDPs) in their various biological environments is essential for understanding their mechanisms and functional roles in the proteome, leading to a greater knowledge of, and potential treatments for, a broad range of diseases. To determine whether molecular simulation is able to generate accurate conformational ensembles of IDPs, we explore the structural landscape of the PLP peptide (an intrinsically disordered region of the proteolipid membrane protein) in aqueous and membrane-mimicking solvents, using replica exchange with solute scaling (REST2), and examine the ability of four force fields (ff14SB, ff14IDPSFF, CHARMM36 and CHARMM36m) to reproduce literature circular dichroism (CD) data. Results from variable temperature (VT) 1H and Rotating frame Overhauser Effect SpectroscopY (ROESY) nuclear magnetic resonance (NMR) experiments are also presented and are consistent with the structural observations obtained from the simulations and CD. We also apply the optimum simulation protocol to TP2 and ONEG (a cell-penetrating peptide (CPP) and a negative control peptide, respectively) to gain insight into the structural differences that may account for the observed difference in their membrane-penetrating abilities. Of the tested force fields, we find that CHARMM36 and CHARMM36m are best suited to the study of IDPs, and accurately predict a disordered to helical conformational transition of the PLP peptide accompanying the change from aqueous to membrane-mimicking solvents. We also identify an α-helical structure of TP2 in the membrane-mimicking solvents and provide a discussion of the mechanistic implications of this observation with reference to the previous literature on the peptide. From these results, we recommend the use of CHARMM36m with the REST2 protocol for the study of environment-specific IDP conformations. We believe that the simulation protocol will allow the study of a broad range of IDPs that undergo conformational transitions in different biological environments.A protocol for simulating intrinsically disordered peptides in aqueous and hydrophobic solvents is proposed. Results from four force fields are compared with experiment. CHARMM36m performs the best for the simulated IDPs in all environments. 相似文献
165.
Ronald E. Banks Ismail M. Farhat Roy Fields Robin G. Pritchard Mohamad M. Saleh 《Journal of fluorine chemistry》1985,28(3):325-340
The nitrosoarenes ArNO (Ar = C6H5, 2-MeC6H4, 2,4,6- Me3C6H2 and C6F5) have been condensed with 4-(dichloroamino)- tetrafluoropyridine to provide the azoxy-compounds pyFN()Ar (pyF = 2,3,5,6-tetrafluoro-4-pyridyl); de-oxygenation of the first three with triphenylphosphine or triethyl phosphite gave the corresponding azo-compounds, and the reverse reaction was achieved in the case of pyFNNC6H2Me3-2,4,6 using peroxytrifluoroacetic acid. Thermolysis of 4-azidotetrafluoropyridine in the presence of pentafluoronitrosobenzene provided the perfluorinated azoxy-compound pyFN()C6F5. X-Ray methods have been used to determine the molecular geometry of pyFN()C6H2Me3-2,4,6. 相似文献
166.
Polyimide nanocomposites having low-k and UV shielding properties have been developed using fluorine functionalized graphene oxide and bis(quinoline amine) based polyimide. The polyimide was synthesized using bis(quinoline amine) and pyromellitic dianhydride at appropriate experimental conditions, and its molecular structure was confirmed through various spectral analysis such as FTIR and NMR. The polyimide (PI) composites were prepared using bis(quinoline amine), pyromellitic dianhydride, and separately filled with 1, 5, 10 wt% of fluorinated graphene oxide (FGO) through in situ polymerization. The polymer composites were characterized using thermo gravimetric analysis (TGA), X-ray powder diffraction (XRD), and scanning electron microscopy (SEM). In addition, the water contact angle, dielectric behavior, and UV–Vis shielding behavior of FGO/PI composites were evaluated. The value of the water contact angle of the polyimide was increased with increment of FGO in the polyimide matrix. The highest water contact angle of polyimide composites observed 108° was obtained for 15 wt% FGO reinforced polyimide composite. The value of the dielectric constant for neat, 1, 5, and 15 wt% FGO reinforced polyimide composites was obtained as 4.5, 3.7, 2.6, and 2.0, respectively. It is also observed from by UV–Vis spectroscopy analysis that the FGO reinforced polyimide composites have good UV shielding behavior. 相似文献
167.
Dr. Andrew M. Turner Dr. Sankhabrata Chandra Prof. Ryan C. Fortenberry Prof. Dr. Ralf I. Kaiser 《Chemphyschem》2021,22(10):985-994
Ices of acetylene (C2H2) and ammonia (NH3) were irradiated with energetic electrons to simulate interstellar ices processed by galactic cosmic rays in order to investigate the formation of C2H3N isomers. Supported by quantum chemical calculations, experiments detected product molecules as they sublime from the ices using photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS). Isotopically-labeled ices confirmed the C2H3N assignments while photon energies of 8.81 eV, 9.80 eV, and 10.49 eV were utilized to discriminate isomers based on their known ionization energies. Results indicate the formation of ethynamine (HCCNH2) and 2H-azirine (c-H2CCHN) in the irradiated C2H2:NH3 ices, and the energetics of their formation mechanisms are discussed. These findings suggest that these two isomers can form in interstellar ices and, upon sublimation during the hot core phase, could be detected using radio astronomy. 相似文献
168.
Herein, we report the controlled and direct fabrication of Cu2O/CuO thin film on the conductive nickel foam using electrodeposition route for the electrochemical reduction of carbon dioxide (CO2) to methanol. The electrocatalytic reduction was performed in CO2 saturated aqueous solution consisting of KHCO3, pyridine and HCl at room temperature. CO2 reduction was carried out at a constant potential of −1.3 V for 120 min to study the electrochemical performance of the prepared electrocatalysts. Cu2O/CuO shows better electrocatalytic activity with highest current density of 46 mA/cm2. The prepared catalyst can be an efficient and selective electrode for the production of methanol. 相似文献
169.
Tuniyazi Abuduaini Vincent Roy Julien Marlet Catherine Gaudy-Graffin Denys Brand Ccile Baronti Franck Touret Bruno Coutard Tamara R. McBrayer Raymond F. Schinazi Luigi A. Agrofoglio 《Molecules (Basel, Switzerland)》2021,26(5)
A series of hitherto unknown (1,4-disubstituted-1,2,3-triazol)-(E)-2-methyl-but-2-enyl nucleosides phosphonate prodrugs bearing 4-substituted-1,2,3-triazoles were prepared in a straight approach through an olefin acyclic cross metathesis as the key synthetic step. All novel compounds were evaluated for their antiviral activities against HBV, HIV and SARS-CoV-2. Among these molecules, only compound 15j, a hexadecyloxypropyl (HDP)/(isopropyloxycarbonyl-oxymethyl)-ester (POC) prodrug, showed activity against HBV in Huh7 cell cultures with 62% inhibition at 10 μM, without significant cytotoxicity (IC50 = 66.4 μM in HepG2 cells, IC50 = 43.1 μM in HepG2 cells) at 10 μM. 相似文献
170.
Dr. Mostakim SK Dr. Soumitra Barman Shounik Paul Ratnadip De Dr. S. S. Sreejith Dr. Helge Reinsch Dr. Maciej Grzywa Dr. Norbert Stock Prof. Dr. Dirk Volkmer Dr. Shyam Biswas Prof. Dr. Soumyajit Roy 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(12):4098-4107
A Zr-based metal-organic framework has been synthesized and employed as a catalyst for photochemical carbon dioxide reduction coupled with water oxidation. The catalyst shows significant carbon dioxide reduction property with concomitant water oxidation. The catalyst has broad visible light as well as UV light absorption property, which is further confirmed from electronic absorption spectroscopy. Formic acid was the only reduced product from carbon dioxide with a turn-over frequency (TOF) of 0.69 h−1 in addition to oxygen, which was produced with a TOF of 0.54 h−1. No external photosensitizer is used and the ligand itself acts as the light harvester. The efficient and selective photochemical carbon dioxide reduction to formic acid with concomitant water oxidation using Zr-based MOF as catalyst is thus demonstrated here. 相似文献