Synthesis,Characterization, DNA Binding,Light Switch “On and Off”, Docking Studies and Cytotoxicity,of Ruthenium(II) and Cobalt(III) Polypyridyl Complexes

The novel ligand (dmbip) 2-(4-N, N-dimethylbenzenamine)1H-imidazo[4, 5-f][1, 10]phenanthroline and its complexes [Ru(phen)₂dmbip]²⁺ (1), [Ru(bpy)₂dmbip]²⁺ (2), [Co(phen)₂dmbip]³⁺ (3) and [Co(bpy)₂dmbip]³⁺ (4) [where phen?=?1, 10-phenanthroline, bpy?=?2, 2^′-bipyridine], have been synthesized and characterized by elemental analysis, IR, UV-Vis, ¹H NMR, ¹³C NMR and Mass spectra. The DNA binding properties of the complexes were investigated by absorption, emission, quenching studies, light switch “on and off”, salt dependent, sensor (cation and anion) studies, viscosity measurements, cyclic voltammetry, molecular modeling and docking studies. The four complexes were screened for Photo cleavage of pBR322 DNA, antimicrobial activity and cytotoxicity. The experimental results indicate that the four complexes can intercalate into DNA base pairs. The DNA-binding affinities of these complexes follow the order [Ru(phen)₂dmbip]²⁺ > [Co(phen)₂dmbip]³⁺ > [Ru(bpy)₂dmbip]²⁺ > [Co(bpy)₂dmbip]³⁺.     

Preparation,characterization, and conductivity of YLnTiZrO7 (Ln = La,Nd, Sm,and Eu)

The pyrochlore oxide of composition YLnTiZrO₇ (Ln?=?La, Nd, Sm, and Eu) was prepared by sol–gel method. All the samples were characterized by powder X-ray diffraction (XRD), Raman, X-ray photoelectron spectroscopy (XPS), diffused reflectance spectroscopy, and impedance spectroscopy. The powder XRD and Raman studies reveal that these samples were crystallized in cubic lattice with pyrochlore structure. The Rietveld analysis of the samples was carried out to obtain the unit cell parameters and reliability factors. The broad Raman bands observed for all the samples are due to cation/anion disorder in the lattice and nanosize. The XPS analysis of the samples shows the characteristic peaks belonging to Y³⁺, Ln³⁺ (Ln?=?La, Nd, Sm, and Eu), Ti⁴⁺, and Zr⁴⁺. Electrical conductivity of YLaTiZrO₇ (YLTZ) and YEuTiZrO₇ (YETZ) samples was calculated from the impedance as a function of frequency and temperature. These samples have shown conductivity of the order of 10^?5 scm^?1 at 500 °C.     

(e,e′), (γ, π+ and (π−, γ) on12C and13C

A detailed theoretical analysis of spin degrees of freedom in carbon isotopes is performed, probing them by electron scattering, pion photoproduction and radiative pion capture from the mesoatomic orbits.Dedicated by the co-authors to the memory of J. Gmitro.The present paper is one of the last works made together with our colleague Marian Gmitro. We had to complete it without him. We mourn for his sudden death and we will always keep alive the memory of his bright personality.     

Cross Section Measurements for (n,d*)(n,t) and (n,n'α) Reactions

Cross sections for some (n,d*),(n,t) and (n,n'α)reactions have been measured by using the activation method relative to cross sections of ²⁷Al(n,α)²⁴Na or ⁹³Nb(n,2n)^92mNb reactions in neutron energies around 14MeV.In this paper some of the published cross section data have also been listed and compared with our results.The neutron energies were determined by the method of cross section ratios for the reactions of ⁹⁰Zr(n,2n) ^89m+gZr and ⁹³Nb(n,2n)^92mNb.     

q-quantum plane,ψ(q)-umbral calculus, and all that

It is known that one can formulateq-extended finite operator calculus with help of “quantumq-plane”q-commuting variablesA, B : AB − qBA ≡ [A, B]q=0. We shall recall this simple fact in its natural entourage which is the so-calledψ(q)-extension of Rota’s finite operator calculus. We aim to convince the audience that this is a natural and elementary method for formulation and treatment ofq-extended and possiblyR-extended orψ(q)-extended models for quantum-likeψ(q)-deformed oscillators. Presented at the 10th International Colloquium on Quantum Groups: “Quantum Groups and Integrable Systems”, Prague, 21–23 June 2001.     

Magnetic and transport properties of single crystal LnRu(2)Al(10) (Ln?=?Pr, Gd, Yb)

Single crystals of LnRu(2)Al(10) (Ln?=?Pr, Gd, Yb) have been grown using the self-flux method, their structure has been determined by single crystal x-ray diffraction, and their magnetic and electronic transport properties have been studied. LnRu(2)Al(10) are members of the Y bFe(2)Al(10) structure type with space group Cmcm. PrRu(2)Al(10) displays paramagnetic behaviour down to 13.2?K, at which temperature it enters a non-magnetic singlet ground state, with a large paramagnetic Curie-Weiss temperature of -?49.8(14)?K. GdRu(2)Al(10) orders antiferromagnetically at 15.5?K. Y bRu(2)Al(10) is a Pauli paramagnet indicating that the Yb is divalent. The properties of these three analogues are compared with LnM(2)Al(10) (M=Fe, Ru, Os).     

Existence of Tensor Glueball ξ(2230) and Its Mass, Spin, and Decay Width

In order to solve the current experimental controversy on the existence of the tensor glueball ξ(2230), we examine whether the conclusion from Seth's experimental measurement, which rejects existence of ξ(2230), is reliable. We claim that the non-observation of the resonance structure by Seth is not a sound ground for rejecting the existence of ξ(2230) but it may just indicate that ξ(2230) has a broad width. We also study the tensor glueball properties: the mass, spin, and decay width. Our theoretical predictions of the mass and the spin of the ξ(2230) using QCD sum rule are about 2.23 GeV and J=2, respectively. Our theoretical results also evidently show that the ξ(2230) must have a total decay width of about 100 MeV, which is much broader than the reported 20 MeV but a small partial decay width of 2 MeV into pp decay channel.     

3He(e,e′pp) and 3He(e,e′pn) reactions at AmPS and MAMI

This paper reports on measurements of the ³He(e,e′pp) reaction measured at AmPS and the ³He(e,e′pn) reaction measured at MAMI. The measurements were performed in similar kinematics to allow a comparison to be made between the cross sections of the two reactions. Results are shown for both reactions together with a comparison for the ³He(e,e′pp) data with continuum Faddeev calculations.     

CO(III)–NI(II) double substituted bismuth vanadate: synthesis,phase stabilization,and structural and electrical characterization

Samples of Co–Ni double substituted bismuth vanadate, BICO_0.20?x NI _x VOX (Bi₄Co_0.20???x ^(III)Ni _x ^(II)V_1.8O_{10.8???(x/2)???δ} ;0?≤?x?≤?0.20) were synthesized by standard solid state reactions. The influence of Ni substitution for Co on phase stabilization and oxide-ion performance have been investigated using X-ray powder diffraction, differential thermal analysis, and AC impedance spectroscopy. The high conducting γ′-phase was effectively stabilized at room temperature for compositions with x?≥?0.13 whose thermal stability increases with Ni content. The complex plane plots of impedance were typically represented at temperatures below 380 °C, suggesting a major contribution of polycrystalline grains to the overall electrical conductivity. The dielectric permittivity measurements revealed the fact that suppression of the ferroelectric transition is compositionally dependent. Interestingly, the maximum ionic conductivity at lower temperatures (～2.56?×?10^?4 S cm^?1 at 300 °C) was observed for the composition with x?=?0.13. However, a good agreement was generally found between the values of electrical conductivity and corresponding activation energies of conduction.     

Nuclear structure studies of 125Te with (n,γ), (d,p) and (3He,α) reactions

Levels in ¹²⁵Te were investigated in the range up to 3.3 MeV excitation energy by the (n,γ), (d,p) and (³He,α) reactions. Over 160 levels and about 360 γ-transitions were established, most for the first time. The states below 2.3 MeV with the most complete spectroscopic information were interpreted in terms of the interacting boson-fermion model (IBFM). Unitary treatment of both positive- and negative-parity states is achieved with the same model parameter close to the intermediate case between O(6) and U(5) limits. Excitation energies, electromagnetic transition rates, γ-branchings and spectroscopic factors are discussed in connection with the possible structures. A family of low-spin negative-parity states has been identified and understood by the IBFM proving their antialigned origin.     

SCF Xα — SW ionization energies of XNO (X = Cl,F and Br) and XON (X = Cl,and F)

Ionization energies of the nitrosyl halides XNO (X = Cl, F, and Br) have been obtained using the SCF Xα scattered-wave method and transition state procedure. The results are comapred to other theoretical and experimental ionization energies as well as among themselves. Ionization energies of nitrogen hypohalides XON (X = Cl and F) have also been computed and compared to those of XNO (X = Cl and F). It was found that the present results yield a good agreement with the experimental ionization energies.     

Comparative analysis of (p,d), (d,t) and (3He, α) reactions on13C nucleus

The angular distributions of the (p, d), (d, t) and(³He, ) reactions on¹³C have been analysed within the framework of DWBA in which additional information on nuclear vertex constants was introduced. Although all these reactions seem to be similar single nucleon transfer, their mechanism is shown to be quite different and so is the information extracted thereof. While from the (p, d) reactions spectroscopic factors may be extracted unambiguously, from the (d, t) reactions it is possible to obtain directly the values of vertex constants only, which in turn are consistent with those determined by extrapolation of the experimental cross sections of the (p, d) reactions to the pole.In the case of (³He, ) reactions, however, the analysis indicates inadequacy of the DWBA concerning the calculations of central partial amplitudes. For a more reliable extraction of structural information, besides the correct normalization of peripheral amplitudes, a contribution of more complex mechanisms must be taken into account.     

Kinetics and thermal stability of the Ni_(62)Nb_(38–x)Ta_x(x=5, 10, 15,20 and 25) bulk metallic glasses

We studied thermal stability and its relationship to the glass-forming ability(GFA) of the Ni_(62)Nb_(38–x)Ta_x(x=5, 10, 15, 20, 25) bulk metallic glasses(BMG) from a kinetic point of view. By fitting the heating-rate dependence of glass transition temperature(Tg onset)and crystallization temperatures(T_x~(onset) and T_x~(peak)) of the Ni_(62)Nb_(38–x)Ta_x BMG using the Vogel-Fulcher-Tammann(VFT) equation, we obtained the ideal glass transition and crystallization temperatures(T_g~0 and T_x~0) and the fragility parameter(m), and also constructed continuous heating transition(CHT) diagrams for crystallization of the BMG. The CHT diagrams of the BMG indicate enhanced thermal stability by Ta addition; the T_g~0 as well as the T_x~0 also illustrates this improved stability limit. The compositional dependence of m, which agrees well with that of the reduced glass-transition temperature, indicates a strong correlation between liquid fragility and glass-forming ability in the present alloy system. These results provide new evidence for understanding thermal stability,liquid fragility, and GFA in BMG.     

SU(3)×SU(3) symmetry breaking, (8, 8) Model and theη→3π decay

It is shown that the (8, 8) model and explicitηπ ⁰ mixing successfully explain theη→3π decay width whereas the decay width calculated from the mass difference is about one order less than the experimental value.     

Structure,stability and magnetic properties of (NiAl)n(n≤6) clusters

In this paper, density functional theory with generalized gradient approximation (GGA) for the exchange-correlation potential has been used to calculate the energetically global-minimum geometries and electronic states of (NiAl)_n(n≤6) clusters. Full structural optimizations, analysis of energy and frequency calculation are performed. The most stable structures of (NiAl)_n clusters are all three-dimensional structures except NiAl. The average bond lengths of (NiAl)_n clusters are larger than that of Ni_2n, and are smaller than that of Al_2n. The binding energy per atom of Ni_2n and (NiAl)_n has the same change trend, and that are larger than that of Al_2n. Stability analysis shows that Ni₈, (NiAl)₂ and Al₁₀ clusters have higher relative stability than other clusters. Mulliken analysis indicates that charges always transfer from Al atoms to Ni atoms, and the average charges of transfer from Al atoms to Ni atoms have a maximum at (NiAl)₆, implying the strong interaction between Al and Ni atoms in (NiAl)₆. The average atomic magnetic moments of (NiAl)_n are smaller than that of true Ni_2n. The analysis of the static polarizability shows that the electronic structures of (NiAl)_n clusters tend to be compact with the increase of atoms.     

Charge-exchange processes in the quasi-elastic (e,e′p) and (e,e′n) reactions

Calculations of charge-exchange processes in the final state of the quasi-elastic (e, e′N) reaction have been performed employing the Lane formalism. The Lane equations were decoupled by means of a transformation to the isospin representation. It is found that charge exchange has a small effect on the (e, e′p) cross section, but may play an appreciable role in the (e, e′n) reaction.     

Spin-reorientation, ferroelectricity, and magnetodielectric effect in YFe(1-x)Mn(x)O3(0.1 ≤ x ≤ 0.40)

We report the observation of magnetoelectric and magnetodielectric effects at different temperatures in Mn-substituted yttrium orthoferrite, YFe(1-x)Mn(x)O(3)(0.1 ≤ x ≤ 0.40). Substitution of Mn in antiferromagnetic YFeO(3)(T(N) = 640 K) induces a first-order spin-reorientation transition at a temperature, T(SR), which increases with x whereas the Néel temperature (T(N)) decreases. While the magnetodielectric effect occurs at T(SR) and T(N), the ferroelectricity appears rather at low temperatures. The origin of magnetodielectric effect is attributed to spin-phonon coupling as evidenced from the temperature dependence of Raman phonon modes. The large magnetocapacitance (18% at 50 kOe) near T(SR) = 320 K and high ferroelectric transition temperature (～115 K) observed for x = 0.4 suggest routes to enhance magnetoelectric effect near room temperature for practical applications.