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1.
Nonlinear Dynamics - In this article, the authors simulate and study dark and bright soliton solutions of 1D and 2D regularized long wave (RLW) models. The RLW model occurred in various fields such... 相似文献
2.
Ambarish Mondal Rajat K. Tripathy Parul Dutta Manas Kumar Santra Anvarhusein A. Isab Christopher W. Bielawski Hemanta K. Kisan Swapan K. Chandra Joydev Dinda 《应用有机金属化学》2019,33(1)
The syntheses, structures, and chemotherapeutic activities of Ag(I)‐, Au(I)‐, and Ru(II)‐complexes ligated to a novel N‐heterocyclic carbene ligand, 2‐(4‐nitrophenyl)imidazo[1,5‐a]pyridin‐2‐ylidene ( 1 ), are described. The corresponding complexes, [Ag( 1 )2][PF6], [Au( 1 )2][PF6] ( 3 ), and [Ru( 1 )(p‐cymene)Cl][PF6] ( 4 ), were prepared using convenient transmetallation chemistry and characterized using a range of spectroscopic and analytical techniques. X‐ray crystallography revealed that complexes 2 and 3 adopted linear structures whereas 4 exhibited a prototypical “piano‐stool”‐like geometry; the structural assignments were further supported by DFT calculations. A series of in vitro studies revealed that while the aforementioned Ag(I), Au(I) and Ru(II) complexes exhibited significant cytotoxicities against the human colon adenocarcinoma (HCT 116), lung cancer (A549), and breast cancer (MCF7) cell lines, the Ru derivative was most prominent. 相似文献
3.
Trushant Lohar Sanjay Jadhav Arjun Kumbhar Ananda Mane Rajashri Salunkhe 《Research on Chemical Intermediates》2016,42(6):5329-5338
An environmentally benign, multicomponent integrated chemical process has been developed for the synthesis of 3,5-dispirosubstituted piperidines by cyclo-condensation reaction of amines, formaldehyde, and dimedone using iron(III) trifluroacetate [Fe(F3CCO2)3] Lewis acid in aqueous micellar medium at ambient temperature (25–30 °C). The heterogeneous solid acid catalyst conveniently promotes this double amino methylation reaction in which six molecules condense in one pot to form six new covalent bonds. The synthesized 3,5-dispirosubstituted piperidines have been screened for their in vitro antibacterial activity using agar well method. Many of these compounds showed satisfactory antibacterial activity as compared to standard drugs against all the bacteria tested. 相似文献
4.
Fine‐Tuning of Lewis Acidity: The Case of Borenium Hydride Complexes Derived from Bis(phosphinimino)amide Boron Precursors 下载免费PDF全文
Dr. Kuldeep Jaiswal Dr. Billa Prashanth Dr. Sanjay Singh 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(31):11035-11041
Reactions of bis(phosphinimino)amines LH and L′H with Me2S ? BH2Cl afforded chloroborane complexes LBHCl ( 1 ) and L′BHCl ( 2 ), and the reaction of L′H with BH3 ? Me2S gave a dihydridoborane complex L′BH2 ( 3 ) (LH=[{(2,4,6‐Me3C6H2N)P(Ph2)}2N]H and L′H=[{(2,6‐iPr2C6H3N)P(Ph2)}2N]H). Furthermore, abstraction of a hydride ion from L′BH2 ( 3 ) and LBH2 ( 4 ) mediated by Lewis acid B(C6F5)3 or the weakly coordinating ion pair [Ph3C][B(C6F5)4] smoothly yielded a series of borenium hydride cations: [L′BH]+[HB(C6F5)3]? ( 5 ), [L′BH]+[B(C6F5)4]? ( 6 ), [LBH]+[HB(C6F5)3]? ( 7 ), and [LBH]+[B(C6F5)4]? ( 8 ). Synthesis of a chloroborenium species [LBCl]+[BCl4]? ( 9 ) without involvement of a weakly coordinating anion was also demonstrated from a reaction of LBH2 ( 4 ) with three equivalents of BCl3. It is clear from this study that the sterically bulky strong donor bis(phosphinimino)amide ligand plays a crucial role in facilitating the synthesis and stabilization of these three‐coordinated cationic species of boron. Therefore, the present synthetic approach is not dependent on the requirement of weakly coordinating anions; even simple BCl4? can act as a counteranion with borenium cations. The high Lewis acidity of the boron atom in complex 8 enables the formation of an adduct with 4‐dimethylaminopyridine (DMAP), [LBH ? (DMAP)]+[B(C6F5)4]? ( 10 ). The solid‐state structures of complexes 1 , 5 , and 9 were investigated by means of single‐crystal X‐ray structural analysis. 相似文献
5.
Back Cover: Activation of Elemental Sulfur at a Two‐Coordinate Platinum(0) Center (Chem. Eur. J. 36/2016) 下载免费PDF全文
6.
7.
Chetan Bhadaliya Bala Krishna Panigrahy Dipanjan Goswami Sovan Maiti Sanjay Jagannath Gurule Arshad H. Khuroo 《Biomedical chromatography : BMC》2022,36(4):e5337
A selective, highly sensitive, precise, and novel bioanalytical method has been developed and validated to quantify sinococuline, an active constituent present in the phytopharmaceutical drug product containing Cocculus hirsutus plant extract, in vivo. Chromatographic separation was achieved on a Luna Omega Polar-C18 bonded analytical column maintained at 45°C. The isocratic mobile phase consisted of methanol and ammonium formate buffer (60:40, v/v) at acidic pH with a low flow rate of 0.250 mL/min. Detection was performed on an API 4000 mass spectrometer using electrospray ionization in positive polarity and multiple reaction monitoring mode to achieve a lower limit of quantification of 1.50 ng/mL. Excellent accuracy and precision were obtained after extracting the analyte from plasma samples using a chemical analogue as an internal standard in the absence of an isotope-labeled compound. The extraction efficacy was evidenced from recovery study, and the analyte was found to be stable in plasma. Validation study demonstrated linearity with coefficient of correlation, r ≥ 0.99, and minimal matrix effect. This bioanalytical method was successfully applied to evaluate pharmacokinetic parameters of sinococuline from a phase I clinical trial of an aqueous extract of C. hirsutus in healthy human volunteers. 相似文献
8.
AbstractEnlightened by the Caputo fractional derivative, the present study deals with a novel mathematical model of generalized thermoelasticity to investigate the transient phenomena due to the influence of magnetic field and moving heat source in a rod in the context of three-phase lag (TPL) theory of thermoelasticity. Both ends of the rod are fixed and heat insulated. Employing Laplace transform as a tool, the problem has been transformed into the space-domain and solved analytically. Finally, solutions in the real-time domain are obtained by applying the inverse Laplace transform. Numerical calculation for stress, displacement, and temperature within the rod is carried out and displayed graphically. The effect of moving heat source speed on temperature, stress, and temperature is studied. It is found from the distributions that the temperature, thermally induced displacement and stress of the rod are found to decrease at large source speed. For the better understanding of the effect of moving heat source on all the distributions, three animations are added. 相似文献
9.
Dr. Siddhartha De Dr. Alexandrine Flambard Dr. Delphine Garnier Patrick Herson Dr. Frank H. Köhler Dr. Abhishake Mondal Dr. Karine Costuas Dr. Béatrice Gillon Prof. Rodrigue Lescouëzec Dr. Boris Le Guennic Dr. Frédéric Gendron 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(52):12120-12136
The local magnetic structure in the [FeIII(Tp)(CN)3]− building block was investigated by combining paramagnetic Nuclear Magnetic Resonance (pNMR) spectroscopy and polarized neutron diffraction (PND) with first-principle calculations. The use of the pNMR and PND experimental techniques revealed the extension of spin-density from the metal to the ligands, as well as the different spin mechanisms that take place in the cyanido ligands: Spin-polarization on the carbon atoms and spin-delocalization on the nitrogen atoms. The results of our combined density functional theory (DFT) and multireference calculations were found in good agreement with the PND results and the experimental NMR chemical shifts. Moreover, the ab-initio calculations allowed us to connect the experimental spin-density map characterized by PND and the suggested distribution of the spin-density on the ligands observed by NMR spectroscopy. Interestingly, significant differences were observed between the pseudo-contact contributions of the chemical shifts obtained by theoretical calculations and the values derived from NMR spectroscopy using a simple point-dipole model. These discrepancies underline the limitation of the point-dipole model and the need for more elaborate approaches to break down the experimental pNMR chemical shifts into contact and pseudo-contact contributions. 相似文献
10.
Shyam Sundar Mondal Namita Jaiswal Partha Sarathi Bera Ranjay K. Tiwari Jogendra Nath Behera Nripen Chanda Subhas Ghosal Tanmoy Kumar Saha 《应用有机金属化学》2021,35(1)
A series of copper (II) ( 1 and 3 ) and cobalt (II/III) ( 2 , 4 and 5 ) complexes comprising different imino‐phenolate ligands DCH , DTH and DBH 2 (where DCH = 2,4‐dichloro‐6‐((mesitylimino)methyl)phenol, DTH = 2,4‐di‐tert‐butyl‐6‐((mesitylimino)methyl) phenol and DBH 2 = 2,4‐dibromo‐6‐((mesitylimino)methyl)phenol) have been prepared with excellent yield and high purity. By utilizing different spectroscopic tools such as UV–visible, electrospray ionization (ESI)‐mass, Fourier‐transform infrared (FTIR) spectrometry and elemental analysis, the prepared complexes ( 1 – 5 ) were thoroughly characterized. The molecular structure of the synthesized complexes was ascertained by using single‐crystal X‐ray diffraction studies (SCXRDs). The experiment reveals that Complexes 1 – 5 bind to calf thymus DNA (CT‐DNA) through non‐intercalative way with good interacting abilities. However, 1 – 5 are excellent quenchers of the fluorescence intensity of bovine serum albumin (BSA) following the static pathway. Additionally, they had shown remarkable cytotoxic potential against MCF‐7 (mammary gland adenocarcinoma) and A549 (lung adenocarcinoma) cell lines. The IC50 values associated with these complexes were much lower than the conventional drug cisplatin. Apoptosis‐induced cell death was confirmed from the DNA fragmentation studies and Hoechst 33342 staining. The 2′,7′‐dichlorofluorescein diacetate (DCFDA) assay indicates that the complex mediated reactive oxygen species (ROS) generation is accountable for governing the apoptosis mechanism via oxidative cell distress. Apart from these studies, by carrying out density functional theory (DFT) method, highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap calculations and optimized structures of the synthesized complexes were accomplished. 相似文献