(N-Benzyl-bis-N',N'-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol

Reaction of Cu(BF(4))(2).6H(2)O with the N(3)O(2) donor ligand H(2)L (where H(2)L = N-benzyl-N',N'-di-tert-butyl-disalicyl-triaminocyclohexane) results in the formation of a novel Cu(II)L complex, 1. X-Ray crystallography of it shows the Cu(II) centre coordinated by two phenolate oxygens and two imine nitrogens in a distorted square plane with an elongated bond to the amine nitrogen (2.512 A) in the axial position. EPR spectroscopy gives g values of g(1) = 2.277, g(2) = 2.100, g(3) = 2.025, and A(1) = 15.6 mT which are consistent with the distorted square pyramidal coordination environment determined from the X-ray structure. UV/visible and electrochemical analysis of shows that it undergoes two reversible processes assigned to the successive oxidation of the phenolate oxygens to phenoxyl radicals, the first at E((1/2)) = 0.89 V (DeltaE = 81 mV, vs. Ag/AgCl) and the second at E((1/2)) = 1.13V (DeltaE = 84 mV, vs. Ag/AgCl). Chemical oxidation results in the formation of a species, assigned as [1](+)(.) which is EPR silent due to antiferromagnetic coupling between the Cu(II) centre and the bound phenoxyl radical. The oxidised species catalyses the oxidation of benzyl alcohol to benzaldehyde.     

An inventory model for non-instantaneous deteriorating items with quadratic demand rate and shortages under trade credit policy

noindent In this paper, we propose an appropriate inventory model for non-instantaneous deteriorating items over quadratic demand rate with permissible delay in payments and time dependent deterioration rate. In this model, the completely backlogged shortages are allowed. In several existing results, the authors discussed that the deterioration rate is constant in each cycle. However, the deterioration rate of items are not constant in real world applications. Motivated by this fact, we consider that the items are deteriorated with respect to time. To minimize the total relevant inventory cost, we prove some useful theorems to illustrate the optimal solutions by finding an optimal cycle time with the necessary and enough conditions for the existence and uniqueness of the optimal solutions. Finally, we discuss the numerical instance and sensitivity of the proposed model.     

Determination of aromatic primary amines at microg l(-1) level in environmental waters by gas chromatography-mass spectrometry involving N-allyl-n'-arylthiourea formation and their on-line pyrolysis to aryl isothiocyanates

Derivatization of aromatic primary amines to N-allyl-N'-arylthioureas by reaction with allyl isothiocyanate and GC-MS of the derivatives, when pyrolysis to aryl isothiocyanates occurs in the heated injector, has been used to determine aromatic amines in the range 0.5-50 microg l(-1) with a correlation coefficient, r, in the range 0.9902-0.9992. The limit of detection ranged 8 to 30 ng l(-1) when 60 ml of sample were preconcentrated, after derivatization, on a styrene-divinylbenzene copolymer sorbent. The pyrolytic cleavage of sym- and unsym-diaryl or alkyl-/arylthioureas has been rationalized. The chromatography of isothiocyanates is much superior to that of aryl amines and the specific mass fragmentation permits positive identification of amines. The method has been applied to spiked drinking water, groundwater and river water samples, when the recovery ranged from 84 to 109% with RSD of 5-9%, and to detect aromatic amines formed by reductive cleavage of azo dyes in effluents when the recovery of amine was in the range 81-95% with RSD 8-15%. The method is not applicable to nitroanilines.     

Studies on the Preparation and Properties of Some Phenolic Derivatives of Biscyclopentadienyl Molybdenum (VI) and Bisindenyl Molybdenum (VI) Oxide Dichloride

Reactions of biscyclopentadenyl molybdenum (VI) oxide dichloride (I) and bisindenyl molybdenum (VI) oxide dichloride (II) with mono-, di- and trihydroxy phenols have been studied and the phenoxide derivatives so formed have been isolated. Infrared spectra and some phenolic derivatives of these compounds have been studied.     

X-ray crystal and molecular structure of upper rim monoformylated calix[4]arene system

Selective formylation under controlled conditions leads to the formation of a monoformylated compound 11-formyl-25,27-bis(ethoxycarbonylmethoxy)-calix[4]arene (1). The spectroscopic results indicated that the calix[4]arene is present in a cone conformation. The crystal and molecular structure of (1) has been determined by X-ray diffraction methods. The crystal data are monoclinic, space group P2 ₁/c, M= 624.66, a= 10.341(1), b=15.176(1), c= 20.121(1) Å, = 91.90°(1), V= 3156.0(4) ų, Z= 4, D _c = 1.315 g cm^–3. The structure confirms the cone conformation for the molecule in the solid state as well.     

Design,synthesis, in silico and in vitro evaluation of novel diphenyl ether derivatives as potential antitubercular agents

Molecular Diversity - Diphenyl ether derivatives inhibit mycobacterial cell wall synthesis by inhibiting an enzyme, enoyl-acyl carrier protein reductase (InhA), which catalyses the last step in the...     

Use of Immunofluorescence and Confocal Laser Scanning Microscopy in Identifying Rare Cases of Anti-Neutrophil Cytoplasmic Antibodies (ANCA) Showing Dual Specificities to Myeloperoxidase and Proteinase3

Anti-neutrophil cytoplasmic antibodies (ANCA) are the immunodiagnostic markers for idiopathic necrotizing crescentic glomerulonephritis affecting mainly medium to small sized blood vessels. The diagnosis of ANCA associated vasculitis (AAV) is mainly based on clinical and histopathological characteristics along with the serological evidence. Immunofluorescence microscopy (IIF) is considered as the "gold standard" for ANCA detection, and ANCA showing two major patterns ie, cytoplasmic (c-ANCA) and perinuclear (p-ANCA) react with different antigenic targets of neutrophils like Proteinase3 (PR3) and Myeloperoxidase (MPO). A third unusual and rare immunofluorescence pattern called as "X- ANCA" or atypical ANCA is also sometimes seen. The difficulty in identification of ANCA immunofluorescence patterns is mainly seen due to the rare dual patterns seen in the same sera and also the additional nuclear immunofluorescence seen due to presence of anti-nuclear antibodies. ANCA testing by immunofluorescence and Confocal Laser scanning microscopy, as well as by specific ELISAs for detection of anti-PR3 and anti-MPO antibodies have helped in improving the diagnosis. Patients having dual specificities to MPO and PR3 in a patient is a rare finding. Among 425 clinically and histopathologically proven cases of AAV, eight patients (1.9%) had dual specificities, of which five patients showed mixed immunofluorescence pattern and 3 patients showed X-ANCA pattern which was confirmed by both immunofluorescence and Confocal Laser scanning microscopy and the dual specificities to MPO and PR3 were detected by individual ELISAs.     

Solution conformation of d(C(4)ACAC(4)TGT)(2); an intramolecularly folded i-motif from the insulin minisatellite

A 28-mer sequence taken from the insulin minisatellite is shown, through NMR and UV thermal melting studies, to form an intramolecular i-motif with two ACA and one TGT loop that persists to near neutral pH and room temperature.