X-ray and electron beam modification of thiophene overlayers on TiO2(100)1 × 1 and 1 × 3

The effects of electron and X-ray beams on thiophene overlayers on TiO₂(100) 1 × 1 and 1 × 3 surfaces have been investigated using AES, UPS and XPS. Mg K X-rays were found to polymerise a thiophene multilayer condensed at 120 K. The evidence points to a substrate-secondary-electron mediated process. A 3 keV electron beam also modifies a condensed thiophene overlayer, probably by polymerisation.     

An efficient protocol for the synthesis of highly sensitive indole imines utilizing green chemistry: optimization of reaction conditions

Novel and highly sensitive indole-based imines have been synthesized. Their synthesis has been compared employing a variety of protocols. Ultimately, a convenient, economical and high yielding set of conditions employing green chemistry have been designed for their synthesis.     

Facile synthesis,crystal growth,characterization and computational study of new pyridine-based halogenated hydrazones: Unveiling the stabilization behavior in terms of noncovalent interactions

The pyridine-based halogenated hydrazone derivatives (E)-N′-benzylidene-2-[(6″-chloroazin-2″-yl)oxy]acetohydrazide ( 6a ), (E)-N′-(3′-chlorobenzylidene)-2-[(6″-chloroazin-2″-yl)oxy]acetohydrazide ( 6b ) and (E)-N′-(3′-bromobenzylidene)-2-[(6″-chloroazin-2″-yl)oxy]acetohydrazide ( 6c ) have been obtained using 6-chloro-2-hydroxypyridine. The structure of the products ( 6a – c ) has been verified using X-ray crystallography and spectroscopic approaches. A single-crystal X-ray diffraction (SC-XRD) investigation showed that the structures are stabilized by intermolecular attractive forces. Additionally, density functional theory (DFT) has been adopted to explore the structural properties, vibrational spectra, noncovalent interactions and frontier molecular orbitals using the B3LYP/6-311 + G(d,p) level. The nonlinear optical properties of the title compounds were calculated using the CAM-B3LYP/6-311 + G(d,p) level. Frequency analysis confirmed the stability of the molecules, and an excellent correlation was observed between the DFT- and SC-XRD-based structural parameters. The SC-XRD analysis confirmed that the dimers of 6a , 6b and 6c are linked by hydrogen-bonding interactions. Natural bond orbital (NBO) analysis also reconfirmed the strength of intermolecular hydrogen-bonding and hyperconjugative interactions. NBO investigation was also utilized to analyze the atomic charges. Moreover, Fourier transform infrared and natural population analyses endorsed that there are significant N&bond;H⋅⋅⋅O&dbond;C hydrogen-bonding linkages in dimeric structures of the compounds. The hydrogen-bonding network and different sorts of hyperconjugative interactions are the main reasons for the stability of the products in the solid state. The highest occupied and lowest unoccupied molecular orbital energies and first-order nonlinear optical properties of these molecules are reported. The quantum chemical parameters were derived using frontier molecular orbital energies.     

Structure Elucidation and Biological Screening of Bis(4-{[(E)-(2-Hydroxybenzylidene)amino]methyl}-cyclohexane-carboxylato-O)-triaqua-cadmium

Using a bidentate ligand, a Schiff base 4-({[(Z)-(2-hydroxyphenyl)methyldene]amino}methyl)cyclohexanecarboxylic acid, complex I(ML2, where M = Cd(Ⅱ)) was synthesized and characterized by IR spectroscopy and X-ray crystallography. It crystallizes in monoclinic system, space group C2/c, M_r = 685.04, 0.34 mm × 0.26 mm × 0.14 mm, a = 54.050(3), b = 6.1220(3), c = 9.5081(5) ?, β = 90.229(2)°, Z = 4, C_(30) H_(40) CdN_2 O_9 and V = 3146.2(3) ?~3. Complex I was screened for its bactericidal activity against four bacterial strains Chromohalobactersalexigens, Chromohalobacterisraelensis, Halomonashalofila and Halomonassalina and fungicidal activity against Aspergillusnigerand Aspergillusflavus. Antimicrobial activity results showed that the synthesized complex displayed good anti-fungal activity against two fungal strains. It was found to be inactive against four different bacterial strains analyzed and was negative for bactericidal effect.     

Synthesis,Anticancer Evaluation,and In Silico Modeling Study of Some N-Acylated Ciprofloxacin Derivatives

Russian Journal of Organic Chemistry - Fluoroquinolones constitute a well-known class of antibacterial agents that also display significant anticancer activity. In recent years, various...     

Generalized equilibrium and fixed point problems for Bregman relatively nonexpansive mappings in Banach spaces

In this paper, we introduce and study a hybrid iterative method for finding a common solution of a generalized equilibrium problem and a fixed point problem for a Bregman relatively nonexpansive mapping in reflexive Banach spaces. We prove that the sequences generated by the hybrid iterative algorithm converge strongly to a common solution of these problems. Further, we give some consequences of the main result. Finally, we discuss a numerical example to demonstrate the applicability of the iterative algorithm.     

Electrochemical Sensing of Ascorbic Acid,Hydrogen Peroxide and Glucose by Bimetallic (Fe,Ni)−CNTs Composite Modified Electrode

In this research, bimetallic supported CNT modified electrode ( Fe,Ni/CNTs/GCE) has been developed for sensitive, stable and highly elctroactive sensing of glucose, ascorbic acid and hydrogen peroxide. Transition metals such as Iron (Fe) and Nickel (Ni) offer high electrical and thermal conductance, high active surface‐to‐volume ratio and presence of d‐band electrons gives enhanced electrocatalytic behavior. While, CNTs provide high surface area, stability and excellent conductivity. Synthesized material is characterized by SEM, EDS, XRD and FTIR to access morphology, elemental composition and structure. This unique combination is employed for the electrochemical sensing of ascorbic acid, glucose and hydrogen peroxide and different experimental parameters are optimized. Fe,Ni/CNTs/GCE shows good sensing efficiency at pH 7.4 which is ideally suitable for variety of analytes. The modified electrode also show good reproducibility and sensitivity under optimized conditions and can be reused upto 30 cycles without compromising the efficiency. With good linearity, reproducibility and limit of detection, this material possess significant potential as non‐enzymatic biosensor for variety of analytes.     

Dipole and Combo Optical Solitons in Birefringent Fibers in the Presence of Four-Wave Mixing

The ultimate theme of this study is to develop dipole and combo optical solitons in birefringent fibers (BF) along with the effect of four-wave mixing (4WM). Two types of rough mediums are used which are Kerr law and parabolic law. Ansatz method of Choudhuri is applied to obtain dark in the bright (dipole) soliton solutions providing bright background for the propagation of optical dark pulse. Ansatz method of Li is applied to obtain combo soliton solutions providing bright solitary wave and dark solitary wave solutions. These results also exist to hold in non-Kerr media with higher order dispersion.