Spectro Analytical,Computational and In Vitro Biological Studies of Novel Substituted Quinolone Hydrazone and it’s Metal Complexes

Some novel transition metal [Cu (II), Ni (II) and Co (II)] complexes of nalidixic acid hydrazone have been prepared and characterized by employing spectro-analytical techniques viz: elemental analysis, ¹H-NMR, Mass, UV–Vis, IR, TGA-DTA, SEM-EDX, ESR and Spectrophotometry studies. The HyperChem 7.5 software was used for geometry optimization of title compound in its molecular and ionic forms. Quantum mechanical parameters, contour maps of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) and corresponding binding energy values were computed using semi empirical single point PM3 method. The stoichiometric equilibrium studies of metal complexes carried out spectrophotometrically using Job’s continuous variation and mole ratio methods inferred formation of 1:2 (ML₂) metal complexes in respective systems. The title compound and its metal complexes screened for antibacterial and antifungal properties, exemplified improved activity in metal complexes. The studies of nuclease activity for the cleavage of CT- DNA and MTT assay for in vitro cytotoxic properties involving metal complexes exhibited high activity. In addition, the DNA binding properties of Cu (II), Ni (II) and Co (II) complexes investigated by electronic absorption and fluorescence measurements revealed their good binding ability and commended agreement of K_b values obtained from both the techniques. Molecular docking studies were also performed to find the binding affinity of synthesized compounds with DNA (PDB ID: 1N37) and “Thymidine phosphorylase from E.coli” (PDB ID: 4EAF) protein targets.     

Additive-free vapour-phase hydrogenation of benzonitrile over MgO-supported Ni catalysts

Research on Chemical Intermediates - MgO-supported Ni catalysts were selectively catalysed by the hydrogenation of benzonitrile to benzylamine in continuous flow at atmospheric pressure without any...     

Synthesis and Antibacterial Evaluation of Benzofuran Based Di-1,2,3-triazoles

Russian Journal of General Chemistry - A series of novel benzofuran-1,2,3-triazole hybrid molecules are synthesized using the click chemistry approach. Structures of the synthesized compounds were...     

On the equation of state of classical one-component systems with long-range forces

Several definitions of the pressure are introduced for one-component systems and shown to be nonequivalent in the presence of a rigid neutralizing background. Relations between these pressures are derived for finite and infinite systems; these relations depend on the asymptotic behavior of the force at infinity, with the Coulomb force at the borderline between different properties. It is argued that only one of those definitions is physically acceptable and its properties are discussed in relation to the asymptotic behavior of the force. It is seen in particular that a knowledge of the state of the infinite system is not sufficient to determine its thermodynamic properties. The results are illustrated by some typical examples.For example, for two-dimensional systems with three-dimensional Coulomb interaction see refs. 2–4.     

Seniority isomerism in theN]=82 isotone152Yb; Favouredβ transitionsπh 11/2→vh 9/2

The reaction⁵⁸Ni→⁹⁶Ru has been investigated withγ spectroscopic methods and pulsed-beam techniques. A level scheme of the magic nucleus¹⁵²Yb has been established. The half-life of the isomeric 10⁺ state was found to be 39±5 μs. The result is discussed in the frame-work of the seniority scheme. Theory and experiment show excellent agreement for the half-lives of the 10⁺ states in theN=82 isotones¹⁴⁸Dy,¹⁵⁰Er and [¹⁵²Yb. A level scheme of¹⁵¹Tm, consisting of ten excited states, has been established.β-decay schemes of [¹⁵²Yb (3.2±0.3 s),¹⁵²Tm^(m) (8.0±1.0 s) and¹⁵¹Tm (3.8±0.8 s) have been derived. The logft value of theβ transition¹⁵²Yb (0⁰)→¹⁵²Tm (1⁺) has been determined to be about 3.4. It was found that theft values of the favouredβ transitions 0⁺→1⁺ in theβ decays of [¹⁴⁸Dy,¹⁵⁰Er and¹⁵²Yb are almost inversely proportional to the numbers of protons out of theh _11/2 subshell.     

Magnetization processes of CuMn below the freezing temperature Tf

A simple classical model [5] that is based on a blocking of magnetic clusters in a uniaxial anisotropy field explains characteristic properties of magnetization processes of Cu(5–15 at.%) Mn as transition states between the “zero point magnetization” M₀ = M(T → OK) and the thermal equilibrium magnetization M_∞ = M(t → ∞, T). Further it shows two facts the experimental confirmations of which we report in this paper: (a) a magnetization decrease with increasing temperature in high fields and (b) a superposition rule for the magnetization processes in small fields and at low temperatures.     

Formation of muonium and a muonic radical in fullerene

Three distinct electronic states were detected for positive muons (⁺) after implantation into a C₆₀ powder sample. About 40% of the ⁺ remained in the bare (diamagnetic) state, essentially an interstitial charged point particle. The rest of the muons were found to thermalize predominantly in two muonium (Mu=⁺ e^–) atomic species. A vacuum Mu state, with hyperfine coupling close to that of free Mu, most likely at the molecular center, and a muonic substituted radical, i.e. a hydrogen-like Mu addition to double bonds on the carbon rings. This opens up a rich subfield of fullerene spectroscopy using muons.     

Search for giant Franz-Keldysh-like effects in GaSe and other layered semiconductors

Recently, an anomalously large redshift of the absorption edge with electric field was claimed for -GaSe_1–x S _x layered crystals. We have studied Bridgman grown -GaSe crystals as well as vapor transport grown -GaS, and 2H-WSe₂. While we have observed a shift in the absorption edge for -GaSe similar to that reported in previous work, our results demonstrate that the redshift arises from Joule heating, and is thus temperature induced, rather than intrinsic. For -GaS, much larger resistivities virtually eliminate Joule heating, and our measurements of the electric field induced absorption edge shift yield an estimated upper limit of approximately 0.04 meV · cm/kV for a field of 2.4×10³ kV/cm, in good agreement with the theoretical value expected for the Franz-Keldysh effect.Also at University of Konstanz     

Isotopic sum rules and compliance scheme

It is known that compliance scheme does not provide simple linear isotopic sum rules in λ^?1 similar to the ones in λ in the force constant scheme. The advantage of not having such sum rules in the compliance scheme is discussed in relation to the uniqueness problem of the molecular force field.Incidentally, for the molecules H₂O, D₂O, and HDO, two quadratic relations in terms of the inverse frequency parameters λ^?1 are obtained. These supplement the three obvious product rule relations.