02754nas a2200193   4500008004100000022001400041245011400055210006900169260011000238300001400348490000700362520194900369100002402318700002402342700002102366700002102387700002202408856013002430       2011                        eng d  a1144-054600aAntioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone0 aAntioxidant and anticancer activities of supramolecularly contro  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY  a1615-16230 v353 a<p>Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 &lt; 2 &lt; 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 &lt; 2 &lt; 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 &lt; 2 &lt; 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.</p>1 aZaware, Santosh, B.1 aGonnade, Rajesh, G.1 aSrinivas, Darbha1 aKhan, Ayesha, A.1 aRane, Sandhya, Y.  uhttps://library.ncl.res.in/content/antioxidant-and-anticancer-activities-supramolecularly-controlled-magnetostructural-halo-002009nas a2200277   4500008004100000022001400041245011400055210006900169260007300238300001200311490000900323520098100332653002201313653004401335653002301379653004001402653001601442100002201458700001801480700002401498700002101522700002001543700002101563700001801584856012901602       2011                        eng d  a0022-286000aAzide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies0 aAzide derivatized anticancer agents of vitamin K3 Xray structura  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC  a288-2960 v10063 a<p>Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75% cell death) while Form I causes 35% cell death. (C) 2011 Elsevier B.V. All rights reserved.</p>10aAnticancer agents10aAPI (Active Pharmaceutical Ingredients)10aElectronic isomers10aRAHB (resonance assisted H-bonding)10aVitamin K-31 aBadave, Kirti, D.1 aPatil, Yogesh1 aGonnade, Rajesh, G.1 aSrinivas, Darbha1 aDasgupta, Rajan1 aKhan, Ayesha, A.1 aRane, Sandhya  uhttps://library.ncl.res.in/content/azide-derivatized-anticancer-agents-vitamin-k-3-x-ray-structural-dsc-resonance-spectral-0