4-[(E)-(2,4-Difluoro­phen­yl)(hydroxy­imino)meth­yl]piperidinium picrate

The title compound, C12H15F2N2O+·C6H2N3O7 −, a picrate salt of 4-[(E)-(2,4-difluoro­phen­yl)(hydroxy­imino)meth­yl]piper­idine, crystallizes with two independent mol­ecules in a cation–anion pair in the asymmetric unit. In the cation, a methyl group is tris­ubstituted by hydroxy­imino, piperidin-4-yl and 2,4-difluoro­phenyl groups, the latter of which contains an F atom disordered over two positions in the ring [occupancy ratio 0.631 (4):0.369 (4)]. The mean plane of the hydr­oxy group is in a synclinical conformation nearly orthogonal [N—C—C—C = 72.44 (19)°] to the mean plane of the piperidine ring, which adopts a slightly distorted chair conformation. The dihedral angle between the mean plane of the 2,4-difluoro­phenyl and piperidin-4-yl groups is 60.2 (3)°. In the picrate anion, the mean planes of the two o-NO2 and single p-NO2 groups adopt twist angles of 5.7 (2), 25.3 (7) and 8.3 (6)°, respectively, with the attached planar benzene ring. The dihedral angle between the mean planes of the benzene ring in the picrate anion and those in the hydroxy­imino, piperidin-4-yl and 2,4-difluoro­phenyl groups in the cation are 84.9 (7), 78.9 (4) and 65.1 (1)°, respectively. Extensive hydrogen-bond inter­actions occur between the cation–anion pair, which help to establish the crystal packing in the unit cell. This includes dual three-center hydrogen bonds with the piperidin-4-yl group, the phenolate and o-NO2 O atoms of the picrate anion at different positions in the unit cell, which form separate N—H⋯(O,O) bifurcated inter­molecular hydrogen-bond inter­actions. Also, the hydr­oxy group forms a separate hydrogen bond with a nearby piperidin-4-yl N atom, thus providing two groups of hydrogen bonds, which form an infinite two-dimensional network along (011)

Gabapentinium picrate

The title compound {systematic name: [1-(carboxy­meth­yl)cyclo­hexyl]methanaminium 2,4,6-trinitro­phenolate}, C9H18NO2 +·C6H2N3O7 −, was synthesized from picric acid and gabapentin. The crystal packing is stabilized by intra­molecular N—H⋯O=N and N—H⋯O—Ph hydrogen bonds. An O—H⋯O inter­action is also present

COMPARATIVE STUDY OF Î’-CYCLODEXTRIN PRODUCTION FROM THE CGTASE PRODUCING NOVEL STRAINS- ITS CHARACTERIZATION AND HOST-GUEST COMPLEX FORMATION

The enzymatic synthesis of β-CD by CGTase produced from different strains of alkaliphilic bacterial culture which was isolated from the cultivated sugarcane fields and standard MTCC cultures using starch as substrate. An alkalophilic bacteria were grown for six days at static conditions at pH 10.5. The time course of CGTase activity was studied with the maximum activity observed on 6th day. The activity check and its confirmation were done by Dextrinising and Phenolphthalein assay. The soluble starch was best substrate to produce the cyclodextrin. Extraction of β-CD was done using complexing agents, these agents binds only to β-CD and forms complex, the complex thus formed was recovered. The obtained β-CD was made inclusion complex with guest molecule and was further characterized using UV absorption spectrophotometer, FT-IR and melting point.   Keywords: Cyclodextrin glycosyltransferases, Cyclodextrins, Bacillus licheniformis

Crystal Structure of 2′,3′-Di-O-Acetyl-5′-Deoxy-5-Fluorocytidine with N–H···(O,F) Proton Donor Bifurcated and (C,N)–H···O Bifurcated Acceptor Dual Three-Center Hydrogen Bond Configurations

The title compound, C13H16O6N3F, features a central furan ring containing four carbon atom chiral centers with a 4-amino-5-fluoro-2-oxopyrimidine group, two acetyl groups and a methyl group bonded at the 2,3,4,5 positions, each in an absolute R configuration (2R,3R,4R,5R). It crystallizes in the monoclinic space group C2 with unit cell parameters a = 14.5341(3), b = 7.26230(10), c = 16.2197(3) Å, β = 116.607(2)°, Z = 4. An extensive array of intra and inter molecular hydrogen bond interactions dominate crystal packing in the unit cell highlighted by a relatively rare three-center proton-bifurcated donor N–H···(O,F) hydrogen bond interaction in cooperation with a second, (C,N)–H···O bifurcated acceptor three-center hydrogen bond in a supportive fashion. Additional weak Cg π-ring inter molecular interactions between a fluorine atom and the 4-amino-5-fluoro-2-oxopyrimidine ring in concert with multiple donor and acceptor hydrogen bonds significantly influence the bond distances, bond angles and torsion angles of the deoxy-5-fluorocytidine group. Comparison to a MOPAC computational calculation provides support to these observations

Virtual Reality: A Railroad for Structural Bioinformatics towards Advanced Cancer Research

ABSTRACT 11 Technology has been a part of everyone's life for decades now, and its impact on our lifestyle only 12 seems to increase with time. Considering applications in the field of scientific research till date, it 13 has made exponential advancements and created a new hallmark. 'Virtual Reality' is one of the 14 most applicable, impressive and recently uplifted technologies that has been implemented in 15 numerous approaches already. In the light of structural biological studies, virtual reality technology 16 enables immersive 3D visualization of molecular structures, interactions, mechanisms etc., and 17 molecular modelling at the atomic level facilitating a better understanding of the 'science behind 18 the scene'. In molecular cancer studies, this helps peruse and diagnose defective root causes and 19 unveil effective therapeutic approaches. Although this technology has primarily interested a huge 20 number of researchers and institutes performing structural bioinformatics studies, many researchers 21 across the globe and a large section of the public are still in the dark about its practicality and 22 benefits, some of the main reasons being lack of exposure and the issue with affordability. Thus, 23 besides shedding light on the various ways in which virtual reality has been lately implied to cancer 24 research and therapy, this article aims to promote and encourage usage of a simple, cost-effective 25 platform for 3D immersive visualization of molecular structures for the insufficiently funded 26 community to begin with experiencing molecular virtual reality. It also intends to propose a new 27 permutation of concepts to contribute to an advanced approach in structural cancer studies where 28 scientists can superlatively immerse into the cellular environments and seek answers by virtually 29 communicating with the entities in the microscopic realm. This versatile technology has thus far 30 inevitably proven to possess an enormous potential and is already underway in revolutionizing 31 education, training, scientific research and medical therapy. This article aims to educate more 32 people about prevailing VR technologies and primarily to help accelerate this futuristic technique 33 in cancer research and therapeutics. Albeit leading to a progress in scientific exploration, it could 34 also spread hope and soon assist in upgrading the quality of living especially for cancer victims. 35 3

Synthesis and Characterization of 5-Substituted Novel Isoxazolidines Derived from 1,3-Dipolar Cycloaddition of Nitrones with Olefins: Studies of Antibacterial and Antifungal Activities

The synthesis, antibacterial and antifungal activities of a novel series of 5-substituted isoxazolidine derivatives [3a,b(i-viii)] were described. The synthesis of title compounds was achieved via a 1,3-dipolar cycloaddition of C-(4-biphenyl)-N-(4-methylphenyl)nitrone, C-(4-biphenyl)-N-(4-chlorophenyl) nitrone with monosubstituted alkenes