A mixed‐ligand quinazoline‐based Ni(II) Schiff base complex: Synthesis,characterization, crystal structure,antimicrobial investigation and catalytic activity for the synthesis of 2H–indazolo[2,1‐b]phthalazine‐triones

A tridentate Schiff base ligand, (E)‐3‐((2‐hydroxy‐3‐methoxybenzylidene)amino)‐2‐methylquinazolin‐4(3H)‐one [HL], and its mixed‐ligand Ni(II) complex [Ni(L)(imi)], were synthesized and fully characterized using elemental analysis, FT‐IR, UV–Vis and ¹HNMR spectroscopy techniques. The structure of the synthesized ligand and complex was determined with single crystal X‐ray diffraction method. In the complex, a square planner geometry was observed around the Ni(II) central atom coordinated with the donor atoms of the Schiff base ligand and one nitrogen of imidazole group. In addition, the catalytic activity of the complex on the three‐component condensation of hydrazine hydrate with phthalic anhydride and dimedone to obtain 2H–indazolo[2,1‐b]phthalazine‐triones was investigated. Furthermore, in‐vitro antimicrobial studies were performed that indicated the great antibacterial activities of the Ni(II) complex against Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Bacillus cereus bacteria.     

Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C₉H₁₂N₂O₅) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2₁/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH₃)₂ group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.     

Existence theorems for boundary value problems in difference equations

In this research, we study linear difference equations with constant coefficients subject to boundary conditions. Necessary and/or sufficient conditions for the existence of a unique solution will be established. The proofs of the existence and uniqueness theorems are established by means of special types of determinants called Mosaic Vandermonde determinants.     

Crystal structure and DFT calculations of methanol {E-N′-(2-hydroxybenzlidene)benzohydrazido}dioxidomolybdenum (VI) complex

The crystal and molecular structure of methanol {E-N′-(2-hydroxybenzlidene)benzohydrazido}dioxidomolybdenum (VI) was determined by single crystal X-ray diffraction. B3LYP/DZP basis set theoretical calculations nicely reproduce the X-ray experimental geometry. The obtained results are discussed in connection with the electronic and structural properties of the compound.     

Rotating Bose-Einstein condensate in an optical lattice: Formulation of vortex configuration for the ground state

We consider a rotating Bose-Einstein condensate in an optical lattice in the regime in which the system Hamiltonian can be mapped onto a Josephson junction array. In an approximate scheme where the couplings are assumed uniform, the ground state energy is formulated in terms of the vortex configuration. Application of the method for the ladder case presented and the results are compared with Monte-Carlo method.     

Simulation of the gelation process of hydrogel droplets in 3D bioprinting

The aim of this work is to numerically simulate the gelation of a crosslinking polymer, which is a very complex process involving chemical reactions and phase transitions from a viscous fluid to a viscoelastic solid. A phenomenological model is proposed to simulate the gelation process of agarose droplets, considering the thermal boundary conditions. The numerical model is implemented using the finite element package FlexPDE. The temperature- and time-dependent degree of gelation and the deformation of the droplets during the gelation process are investigated. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Facile Synthesis of Benzotriazole Derivatives Using Nanoparticles of Organosilane-Based Nitrite Ionic Liquid Immobilized on Silica and Two Room-Temperature Nitrite Ionic Liquids

Nanoparticles of organosilane-based nitrite ionic liquid immobilized on silica, 1-butyl-3-methylimidazolium nitrite, and 1-(3-trimethoxysilylpropyl)-3-methylimidazolium nitrite were used as effective reagents for the preparation of benzotriazole derivatives from 1,2-diaminobenzenes at room temperature under mild solvent-free conditions. These ionic liquids play as nitrosonium sources in this procedure.1,2-Diaminobenzene derivatives have been treated with ionic liquids to give the related diaminobenzenes in very good to excellent yields in short reaction times.

Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the full experimental and spectral details.     

Preparation, nano purification, quality control and labeling optimization of [64Cu]-5,10,15,20-tetrakis (penta fluoro phenyl) porphyrin complex as a possible imaging agent

Cu-64 was produced via the ⁶⁸Zn (p,αn)⁶⁴Cu nuclear reaction (≈200 mCi, >95 % chemical yield at 180 μA for 1.1 h irradiation, (radionuclidic purity >96 %, copper-67 as impurity) followed by purification with amino functionalized nano magnetic oxide, Fe₃O₄ aiming to remove trace amount of heavy metal ions from aqueous media due to achieve ultra pure [⁶⁴Cu] CuCl₂ for labeling step. [⁶⁴Cu] labeled 5,10,15,20-tetrakis(penta fluoro phenyl) porphyrin ([⁶⁴Cu]-TFPP) was prepared using freshly prepared [⁶⁴Cu] CuCl₂ (Cu-64; T _1/2 = 12.7 h) and 5,10,15,20-tetrakis(penta fluoro phenyl)porphyrin (H₂TFPP) for 60 min at 100 °C under reflux condition (radiochemical purity: >97 % ITLC, >98 % HPLC, specific activity: 14–16 GBq/mmol). Stability of the complex was checked in final formulation and human serum for 24 h. The partition coefficient was calculated for the compound (log P = 0.73). The biodistribution of the labeled compound in vital organs of wild-type rats was studied using scarification studies and PET imaging up in 2 and 4 h after injection. A detailed comparative pharmacokinetic study performed for ⁶⁴Cu cation and [⁶⁴Cu]-TFPP. The complex is mostly washed out from the circulation through kidneys and liver and can be an interesting tumor imaging/targeting agent due to high specific uptake and rapid excretion through the urinary tract.