Crystal structure of N-m-tolyl phthalimide

N-m-tolyl phthalimide, C₁₅NO₂H₁₁ crystallizes in the space group Cc with unit cell dimensions,a=8·54(1),b=19·89(2),c = 7·59(1)A, β=114·53(1)° andZ=4.V=1173(2)A³,D _m =1·35(1),D _c = 1·344 mg.m⁻³,M _r =237 λCoK_a=1·7903A. The structure was solved byMULTAN and refined to an R-factor of 0·116 for 632 counter reflections. The molecules are held together by van der Waal’s forces. The angle between the tolyl plane and the plane through the phthalimide group is 53·4(4)°. Contribution No. 607.     

Crystal structure of 1-amino-2-phenyl benzocycloheptanol hydrobromide monohydrate

Crystals of 1-amino 2-phenyl benzocycloheptanol hydrobromide monohydrate are orthorhombic witha=6·927(17),b=30·947(40),c=30·990(40) Å,z=16 and the space group is Iba2.ρ=1·41 gm/ccρ _cal=1·403 gm/cc,μ for CuK_α=37.06 cm^?1. The structure was solved by heavy atom method using three dimensional x-ray intensity data and refined by block diagonal and full matrix least squares method to anR-index of 0·106. The structure is stabilised by a number of hydrogen bonds of the type N-H…O, O-H…Br, N-H…Br. The heptane rings in this molecule are in chair conformation.     

Novel arylpyridine‐based 1,3,4‐oxadiazoles: Synthesis,antibacterial, and anti‐inflammatory evaluation

In view of developing novel bioactive compounds, a series of 2‐(5‐[2‐methyl‐6‐arylpyridin‐3‐yl]‐1,3,4‐oxadiazol‐2‐ylthio)‐1‐arylethanones (6a–n) were designed and synthesized in good yield. Novel compounds were evaluated for their antibacterial and anti‐inflammatory activities. All synthesized compounds were screened for their antibacterial activity against Staphylococcus aureus, Bascillus subtilis, Eschericia coli, and Pseudomonas aeruginosa strains. Compounds 6a , 6b , 6c , 6h , and 6i displayed the highest antibacterial activity with minimal inhibitory concentration (MIC) values ranging from 6.25–12.5 μg/mL in comparison with the standard Ciprofloxacin. The results of anti‐inflammatory activity of carrageenan‐induced footpad edema assay indicated that tested compounds exhibited remarkable anti‐inflammatory activity with percentage of inhibition of 63.9–70.1% (potency 96.8–106.20% of indomethacin activity) after 3 hr. Particularly, 6c – e and 6j – l were found to be excellent inhibitors of inflammation, with potential higher than that of the standard, Indomethacin.     

Electrochemical Signal‐triggered Release of Biomolecules Functionalized with His‐tag Units

His‐tagged molecular species, a ferrocene derivative and Protein A, were immobilized on electrode surfaces (Au and graphite) through formation of a chelated complex in the presence of Cu²⁺ cations used as bridging units. The complex was cleaved and the attached molecules were released from the electrode surface by applying reductive potential to the electrodes resulting in Cu²⁺ reduction, thus decomposing the chelate complex. The molecule release process was followed by cyclic voltammetry in case of the ferrocene derivative. His‐tagged Protein A was additionally labeled with a fluorescent tag and its release was followed by fluorescence measurements in the solution and by impedance spectroscopy at the electrode. The studied release of the His‐tagged redox species and biomolecules was considered as a new generic approach to the signal‐controlled molecule release applicable in various biotechnological and biomedical applications.     

Water Soluble Nickel – metformin ternary complexes: Thermal,DNA binding and molecular docking studies

The Nickel (II) complexes [Ni(Cl)₂(metf)(o-phen)] (1), [Ni(Cl)₂(metf)(opda)] (2) , [Ni(Cl)₂(metf)(en)] (3) , [Ni(Cl)₂(metf)(2,2'-bipy)] (4) , (metf = metformin, o-phen = ortho-phenanthroline, opda = ortho-phenylenediamine, en = ethylenediamine, 2–2′ bipy = 2–2′ bipyridyl) were synthesized and characterized using LC–MS, elemental analysis, molar conductance measurements, TGA-DTA, IR spectroscopy, magnetic moment measurements and electronic spectroscopy. The central Ni²⁺ was found to be in octahedral geometry. The DNA interaction of these complexes have been studied by UV–visible absorption studies, fluorescence emission technique and viscosity measurement. The complexes showed absorption hyperchromism in UV–visible spectra with calf thymus DNA. The binding constants from UV–visible absorption studies were 7.42 × 10⁴, 0.74 × 10⁴, 3.19 × 10⁴, 5.9 × 10⁴ M⁻¹ for 1 , 2 , 3 and 4 , respectively and Stern-Volmer quenching constants from fluorescence studies were 0.16, 0.41, 0.23, 0.18, respectively. Viscosity measurements revealed that the binding of the complexes with DNA could be surface binding, mainly due to groove binding. The highest DNA cleavage activity of the complexes is recorded for complex 1 . The complexes were docked in to B-DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP* GP*TP*CP*GP*GP*T)-3′ retrieved from protein data bank (PDB ID: 423D), using Discovery Studio 2.1 software. C Docker Intectraction energy of 1 , 2 , 3 and 4 complexes is 32.027, 31.427, 35.393 and 30.521 respectively. The highest docking score is seen for complex 3 .     

Molecular structure of Lantadene-B&C,triterpenoids ofantana camara,red variety: Lantadene-B, 22β-angeloyloxy-3-oxoolean-12-en-28-oic acid; Lantadene-C, 22 β-(S)-2′-methyl butanoyloxy-3-oxoolean-12-en-28-oic acid

(I)Lantadene-B: C₃₅H₅₂O₅,M _r =552.80, MonoclinicC2,a=25.65(1),b=6.819(9),c=18.75(1) Å,=100.61(9),V=3223(5) ų,Z=4,D _x =1.14 g cm^–3 CuK (=1.5418A),=5.5 cm^–1,F(000)=1208,R=0.118,wR=0.132 for 1527 observed reflections withF _o 2(F _o ). (II)Lantadene-C: C₃₅H₅₄O₅·CH₃OH,Mr=586.85, Monoclinic,P2₁,a=9.822(3),b=10.909(3),c=16.120(8)Å,=99.82(4),V=1702(1)ų,Z=2,D _x =1.145 g cm^–3, MoK (=0.7107Å), =0.708 cm^–1 F(000)=644,R=0.098, wR=0.094 for 1073 observed reflections. The rings A, B, C, D, and E aretrans, trans, trans, cis fused and are in chair, chair, sofa, half-chair, chair conformations, respectively, in both the structures. In the unit cell the molecules are stabilized by O-HO hydrogen bonds in both the structures, however an additional C-HO interaction is observed in the case of Lantadene-C.DCB Contribution No 809.     

EPR and optical absorption studies of VO(II)-doped zinc Tris thiourea sulfate.

Electron paramagnetic resonance (EPR) of vanadyl ion as an impurity in polycrystalline zinc tris thiourea sulfate (ZTS), a prominent nonlinear optical host, has been studied at X-band frequencies at room temperature. Spin-Hamiltonian parameters and molecular orbital coefficients have been calculated. The optical absorption spectra have also been studied to deduce the crystal field parameters.     

Triblock Copolymer Based on Poly(propylene oxide) and Poly(1‐[11‐acryloylundecyl]‐3‐methyl‐imidazolium bromide)

The controlled atom transfer radical polymerization of an ionic liquid, 1‐(11‐acryloylundecyl)‐3‐methyl imidazolium bromide (ILBr), from both ends of a telechelic poly(propylene oxide) (PPO) macroinitiator, end‐functionalized with bromoisobutyryloyl is reported. The resulting highly water‐soluble triblock, poly(ILBr‐b‐PO‐b‐ILBr) is multistimuli responsive. This new class of triblocks exhibits classical surface activity in lowering surface tension at the air–water interface and in modifying wetting in waterborne coatings. It also immunizes model colloids against coagulation induced by Debye–Hückel (indifferent electrolyte) electrostatic screening. Further, sol–gel thermoreversibility is unexpectedly found as an additional form of stimuli responsiveness.