Cu acetate complexes involving N,N,O donor Schiff base ligands: Mono-atomic oxygen bridged dimers and alternating chains of the dimers and Cu2(OAc)4

Two tridentate N,N,O donor Schiff bases, HL¹ (4-(2-ethylamino-ethylimino)-pentan-2-one) and HL² (3-(2-amino-propylimino)-1-phenyl-butan-1-one) on reaction with Cu^II acetate in presence of triethyl amine yielded two basal-apical, mono-atomic acetate oxygen-bridging dimeric copper(II) complexes, [Cu₂L¹₂(OAc)₂] (1), [Cu₂L²₂(OAc)₂] (2). Whereas two other similar tridentate ligands HL³ (4-(2-amino-propylimino)-pentane-2-one) and HL⁴ (3-(2-amino-ethylimino)-1-phenyl-butan-1-one) under the same conditions produced a mixture of the corresponding dimers and a one-dimensional alternating chain of the dimer and copper acetate moiety, [Cu₄L³₂(OAc)₆]_n (3) and [Cu₄L⁴₂(OAc)₆]_n (4), formed by a very rare μ₃ bridging mode of the acetate ion. All four complexes (1–4) have been characterized by X-ray crystallography. The isotropic Hamiltonian, H = −JS₁S₂ has been used to interpret the magnetic data. Magnetic measurements of 1 and 2 in the temperature range 2–300 K reveal a very weak antiferromagnetic coupling for both complexes (J = −0.56 and −1.19 cm⁻¹ for 1 and 2, respectively).     

Surface enhanced Raman scattering of 2,2' biquinoline adsorbed on colloidal silver particles

Surface enhanced Raman scattering (SERS) in silver sol and normal Raman spectra in the bulk and in solution of 2,2' biquinoline (BQ) molecule have been investigated. The observed Raman bands along with their corresponding FTIR bands have been assigned based on the established assignments of the vibrational bands of the parent napthalene and quinoline molecules. Existence of both the cis and trans form of the BQ molecule in solution and in the bulk are inferred from the normal Raman and FTIR spectra, whereas SERS study reveal that in the surface adsorbed state the molecule exists in the cis form. Definite evidence of the charge transfer interaction to the overall contribution in the SER enhancement have been reported. The excitation profile also supports the CT interaction. Estimated enhancement factor of the principal SERS bands indicate that the molecule is adsorbed on the silver surface through both the nitrogen atoms with the molecular plane almost perpendicular to the surface. This preferred orientation of the molecule is in conformity with its existence in the cis form in the surface adsorbed state.     

Inhibition of Filamentous Thermosensitive Mutant-Z Protein in Bacillus subtilis by Cyanobacterial Bioactive Compounds

Antibiotic resistance is one of the major growing concerns for public health. Conventional antibiotics act on a few predefined targets and, with time, several bacteria have developed resistance against a large number of antibiotics. The WHO has suggested that antibiotic resistance is at a crisis stage and identification of new antibiotics and targets could be the only approach to bridge the gap. Filamentous Temperature Sensitive-Mutant Z (Fts-Z) is one of the promising and less explored antibiotic targets. It is a highly conserved protein and plays a key role in bacterial cell division by introducing a cytokinetic Z-ring formation. In the present article, the potential of over 165 cyanobacterial compounds with reported antibiotic activity against the catalytic core domain in the Fts-Z protein of the Bacillus subtilis was studied. The identified cyanobacterial compounds were screened using the GLIDE module of Maestro v-2019-2 followed by 100-ns molecular dynamics (MD) simulation. Ranking of the potential compound was performed using dock score and MMGBSA based free energy. The study reported that the docking score of aphanorphine (−6.010 Kcalmol⁻¹) and alpha-dimorphecolic acid (ADMA) (−6.574 Kcalmol⁻¹) showed significant role with respect to the reported potential inhibitor PC190723 (−4.135 Kcalmol⁻¹). A 100 ns MD simulation infers that Fts-Z ADMA complex has a stable conformation throughout the progress of the simulation. Both the compounds, i.e., ADMA and Aphanorphine, were further considered for In-vitro validation by performing anti-bacterial studies against B. subtilis by agar well diffusion method. The results obtained through In-vitro studies confirm that ADMA, a small molecule of cyanobacterial origin, is a potential compound with an antibacterial activity that may act by inhibiting the novel target Fts-Z and could be a great drug candidate for antibiotic development.     

Magnetoelectronic transport of the two-dimensional electron gas in CdSe single quantum wells

Hall mobility and magnetoresistance coefficient for the two-dimensional (2D) electron transport parallel to the heterojunction interfaces in a single quantum well of CdSe are calculated with a numerical iterative technique in the framework of Fermi-Dirac statistics. Lattice scatterings due to polar-mode longitudinal optic (LO) phonons, and acoustic phonons via deformation potential and piezoelectric couplings, are considered together with background and remote ionized impurity interactions. The parallel mode of piezoelectric scattering is found to contribute more than the perpendicular mode. We observe that the Hall mobility decreases with increasing temperature but increases with increasing channel width. The magnetoresistance coefficient is found to decrease with increasing temperature and increase with increasing magnetic field in the classical region.      

Dioxovanadium(V) Complexes Incorporating Tridentate ONO Donor Hydrazone Ligands Derived from Acetylhydrazide and 2-hydroxybenzaldehyde/2-hydroxyacetophenone. Synthesis, Characterization and Reactivity

Reaction of VOSO₄ with the tridentate ONO donor ligand derived from the condensation of acetylhydrazide with either 2-hydroxybenzaldehyde (H₂L¹) or 2-hydroxyacetophenone (H₂L²) (general abbreviation H₂L) in an equimolar ratio in the presence of two equivalents of sodium acetate in aqueous-methanolic medium in air produces yellow dioxovanadium(V) complexes of the type, [V^vO₂(H⁺-L)], (1) and (2) in good yield. Aerial oxygen is most likely the oxidant (for the oxidation of V^IV→V^V) assisted by the ligand basicity. Complexes are characterized by elemental analyses and by i.r., n.m.r. and u.v.–vis. spectroscopies. I.r. spectra of the complexes indicate the tridentate dinegative forms of the ligands. The ¹H-n.m.r. spectrum of (2) in CD₃CN solvent indicates the presence of a strongly deshielded N–H proton. Conductivity measurements in DMF solution indicate that the complexes are non-electrolytic and so the H⁺ ion is strongly bonded probably with the uncoordinated imine-N nitrogen of the coordinated Schiff base moiety. Both complexes exhibit only the LMCT band in the u.v. region in MeOH and they are electroactive, displaying an irreversible reduction peak near −0.35 V versus s.c.e. in methanol solution. Methanol solutions of the complexes are reversibly reduced by ascorbic acid to the corresponding V^IV analogue as is evident from their u.v.–vis. spectra. The CH₂Cl₂ suspension of these complexes (1) and (2) reacts separately with 8-hydroxyquinoline (Hhq) in air to produce the mixed-ligand complexes of the type [V^vO(L)(hq)].     

A linear time algorithm to remove winding of a simple polygon

In this paper, we present a linear time algorithm to remove winding of a simple polygon P with respect to a given point q inside P. The algorithm removes winding by locating a subset of Jordan sequence that is in the proper order and uses only one stack.     

QCD phase transition in rotating neutron star,neutrino beaming and gamma-ray bursters

We have studied the emission of neutrinos from a rotating hybrid star. We find that the emission is predominantly confined to a very small angle, provided the core of the star is in a mixed phase of quarks and hadrons and the size of such a mixed phase is small. Annihilation of neutrinos to produce gamma rays has been discussed. The estimated duration of the burst is found to be within the observational range.     

Visual sensing of fluoride ions by dipyrrolyl derivatives bearing electron-withdrawing groups

Two new, easy-to-prepare dipyrrolyl derivatives endowed with electron-withdrawing quinone or dicyano functionalities in their architecture permit the detection of fluoride ions under visual (naked-eye) as well as optical (absorption and fluorescence) and electrochemical conditions in organic solvents     

Theorie. Methode

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