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1.
A series of new platinum(II) and platinum(IV) complexes of the type [PtII(HMI)2X] (where HMI=hexamethyleneimine, X=dichloro, sulfato, 1,1-cyclobutanedicarboxylato [CBDCA], oxalato, methylmalonato, or tatronato) and [PtIV(HMI)2Y2Cl2] (where Y=hydroxo, acetato, or chloro) were synthesized and characterized by infrared (IR) spectroscopy, 13C and 195Pt nuclear magnetic resonance (NMR) spectroscopy and elemental analysis. Among the complexes synthesized, [PtII(hexamethyleneimine)2(1,1-cyclobutanedicarboxylato)]·H2O was examined by single-crystal X-ray diffraction. The slightly distorted square planar coordination environment of the platinum metal includes the amino group of the hexamethyleneimine (HMI) molecule and the oxygen atoms of the carboxylato ligand. The cyclobutanedicarboxylic acid (CBDCA) molecule adopts six-member chelating rings with platinum. Hydrogen bonding plays an important part in holding the crystal lattice together. 相似文献
2.
Marina Yamamoto Raynbird Dr. Shaista S. Khokhar Dr. Daniel Neef Dr. Gareth J. S. Evans Prof. Dr. Thomas Wirth 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(9):3008-3012
Ajoene is a compound found in garlic extracts exhibiting a large range of biological activity. Novel ajoene analogues have been prepared in the search of compounds with superior bioactivity. Modifications include the alteration of the sulfoxide, the central alkene and the terminal allyl groups. 相似文献
3.
R. Dylewicz A. Z. Khokhar R. Wasielewski P. Mazur F. Rahman 《Applied physics. B, Lasers and optics》2012,107(2):393-399
We describe the fabrication and characterization of a randomly etched gallium nitride (GaN) surface for enhancing light extraction from light-emitting diodes. Our technique uses silica spheres as nano-targets in a sputter-etch process and produces a fine-grained surface with features around 35 nm. The textured surface layer acts as a graded refractive index layer with antireflection properties. Measurements show that photoluminescence intensity from such treated surfaces on a GaN LED wafer increases 2.2?times over that from pristine surfaces. These findings are also supported by computer modelling studies described here. 相似文献
4.
Navkiran Kaur Mansimran Khokhar Vaibhav Jain P. V. Bharatam Rajat Sandhir Rupinder Tewari 《Applied biochemistry and biotechnology》2013,171(2):417-436
Emergence of the multidrug-resistant pathogens has rendered the current therapies ineffective thereby, resulting in the need for new drugs and drug targets. The accumulating protein sequence data has initiated a drift from classical drug discovery protocols to structure-based drug designing. In the present study, in silico subtractive genomics approach was implemented to find a set of potential drug targets present in an opportunist bacterial pathogen, Acinetobacter baumannii (A. baumannii). Out of the 43 targets identified, further studies for protein model building and lead-inhibitor identification were carried out on two cell-essential targets, MurA and MurB enzymes (of A. baumannii designated as MurAAb and MurBAb) involved in the peptidoglycan biosynthesis pathway of bacteria. The homology model built for each of them was further refined and validated using various available programs like PROCHECK, Errat, ProSA energy plots, etc. Compounds showing activity against MurA and MurB enzymes of other organisms were collected from the literature and were docked into the active site of MurAAb and MurBAb enzymes. Three inhibitors namely, T6361, carbidopa, and aesculin, showed maximum Glide score, hydrogen bonding interactions with the key amino acid residues of both the enzymes and acceptable ADME properties. Furthermore, molecular dynamics simulation studies on MurAAb–T6361 and MurBAb–T6361 complexes suggested that the ligand has a high binding affinity with both the enzymes and the hydrogen bonding with the key residues were stable in the dynamic condition also. Therefore, these ligands have been propsed as dual inhibitors and promising lead compounds for the drug design against MurAAb and MurBAb enzymes. 相似文献
5.
CV Tomy D Pal SS Banerjee S Ramakrishnan AK Grover S Bhattacharya MJ Higgins G Balakrishnan McK Paul 《Pramana》2002,58(5-6):925-935
The weakly pinned single crystals of the hexagonal 2H-NbSe2 compound have emerged as prototypes for determining and characterizing the phase boundaries of the possible order-disorder
transformations in the vortex matter. We present here a status report based on the ac and dc magnetization measurements of
the peak effect phenomenon in three crystals of 2H-NbSe2, in which the critical current densities vary over two orders of magnitude. We sketch the generic vortex phase diagram of
a weakly pinned superconductor, which also utilizes theoretical proposals. We also establish the connection between the metastability
effects and pinning. 相似文献
6.
An integral equation formulation for buoyancy-driven convection problems is developed and illustrated. Buoyancy-driven convection in a bounded cylindrical geometry with a free surface is studied for a range of aspect ratios and Nusselt numbers. The critical Rayleigh number, the nature of the cellular motion, and the heat transfer enhancement are computed using linear theory. Green's functions are used to convert the linear problem into linear Fredholm integral equations. Theorems are proved which establish the properties of the eigenvalues and eigenfunctions of the linear integral operator which appears in these equations. 相似文献
7.
Muhammad Rafique Nayyar H. Mirjat Aamir M. Soomro Suhail Khokhar Yong Shuai 《Physics letters. A》2018,382(16):1108-1119
First-principles calculations were performed to investigate the structural, electronic, magnetic and optical properties of nitrogen (N) and magnesium (Mg) atom co-doped graphene systems. We observed that, N and Mg atom co-doping in graphene, introduces half-metallic properties in the electronic structure of graphene, introduces ferromagnetism behavior along with new trends in optical properties of graphene. Doping site and concentration of N and Mg atoms in graphene was changed and resulting effects of these changes on aforementioned properties were investigated. Through density of states plots we observed that, Mg atom sp orbitals mainly induced magnetic moments in graphene. It was revealed that, N/Mg atoms substitution in graphene introduces a red shift in absorption spectrum towards visible range and a finite absorption coefficient quantity value in 0 to 3 eV and 7 to 11 eV energy intervals is also produced, that is unavailable for absorption spectrum of intrinsic graphene. Moreover, N/Mg atoms co-doping produces increment in the reflectivity parameter of graphene in low lying energy region, while producing diminishing behavior in the higher energy range. These results offer a possibility to tune electronic, magnetic and optical characteristics of graphene sufficiently for utilization in graphene based spintronic and optoelectronic devices. 相似文献
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9.
Kinetic and thermodynamic investigations were performed for a mixed aqueous-organic, 1:1 (v/v) water–1,4-dioxane medium, which was found to be an efficient solvent for the interaction of a neutral dichlorotris(triphenylphosphine) ruthenium(II), RuCl2(PPh3)3 complex with carbon monoxide at atmospheric pressure. During the interaction, RuCl2(PPh3)3 dissociates to a neutral complex dichlorobis(triphenylphosphine) ruthenium(II), RuCl2(PPh3)2, by losing a coordinated PPh3 ligand and RuCl2(PPh3)2 coordinates with CO to form an in situ carbonyl complex RuCl2(CO)(PPh3)2. The in situ formed carbonyl complex RuCl2(CO)(PPh3)2 was thoroughly characterized by equilibrium, spectrophotometric, IR, and electrochemical techniques. Under equilibrium conditions, the rate and dissociation constants for the dissociation of PPh3 from RuCl2(PPh3)3 were found to be favorable for the formation of the carbonyl complex RuCl2(CO)(PPh3)2. The rates of complexation for the formation of RuCl2(CO)(PPh3)2 were found to follow an overall second-order kinetics being first order in terms of the concentrations of both carbon monoxide and RuCl2(PPh3)2. The determined activation parameters corresponding to the rate constant (ΔH# = 35.9 ± 2.5 kJ mol−1 and ΔS# = −122 ± 6 J K−1 mol−1) and thermodynamic parameters corresponding to the formation constant (ΔH° = −33.5 ± 4.5 kJ mol−1, ΔS° = −25 ± 8 J K−1 mol−1, and ΔG° = −25.7 ± 2.0 kJ mol−1) were found to be highly favorable for the formation of the complex RuCl2(CO)(PPh3)2. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 40: 359–369, 2008 相似文献
10.
In subnormal glow discharge under d.c. excitation at different pressure in a varying transverse magnetic field (0 to 30 G)
some measurements have been carried out for various initial average tube currents. The voltage across the discharge increases
and average tube current and residual current decreases in the magnetic field. With the help of Beckman’s expression [4] for
the axial field and the electron density distribution in a transverse magnetic field the observed variation of current and
voltage can be satisfactorily explained. The variation of axial electric field with transverse magnetic field can be represented
to a fair degree of accuracy by the derived equation. The behaviour of residual current with magnetic field has been observed
in these oscillations. 相似文献