@article {31}, title = {Metal-induced reductive ring opening of 1,2,4,5-tetrazines: Three resulting coordination alternatives, including the new non-innocent 1,2-diiminohydrazido(2-) bridging ligand system}, journal = {Inorganic Chemistry}, volume = {45}, number = {3}, year = {2006}, month = {FEB }, pages = {1316-1325}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

{Reaction of 3,6-diaryl-1,2,4,5-tetrazines (aryl = R = phenyl, 2-furyl or 2-thienyl) with 2 equiv of Ru(acac)(2)(CH3-CN)(2) results in reductive tetrazine ring opening to yield diruthenium complexes [

}, keywords = {crystal engineering, hydrogen bonds, molecular, recocynition, Self-assembly, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1021/ic051532p}, author = {Maji, Somnath and Sarkar, B. and Patra, S. and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000307920400025, title = {MOF with hydroxynaphthoquinone as organic linker: molecular structure of [Zn(Chlorolawsone)(2)(H2O)(2)] and thermogravimetric studies}, journal = {Journal of Molecular Structure}, volume = {1022}, year = {2012}, month = {AUG}, pages = {189-196}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zinc complexes as MOF with hydroxynaphthoquinone as organic linkers are synthesized and characterized. The complexes Zn-1; [Zn(lawsone)(2)(H2O)(2)]center dot 3H(2)O and Zn-2; [Zn(chlorolawsone)(2)(H2O)(2)]center dot H2O, where lawsone is 2-hydroxy-1,4-naphthoquinone and chlorolawsone is 3-chloro-2-hydroxy-1,4-naphthoquinone, serve as hosts for adsorbed water molecules. nu(c=O) shows shift towards lower frequencies similar to 25 cm(-1) in Zn-1 and similar to 35 cm(-1) in Zn-2 in FTIR spectra. (HNMR)-H-1 shows upfield shift in Zn-1 and downfield shift in Zn-2 to the benzenoid ring protons. Bathochromic shift has been observed to the charge transfer band in UV-visible spectra of both complexes. The mass loss of adsorbed water molecules have been observed \<100 degrees C in thermogravimetric (TG) studies. Three adsorbed water molecules are present in Zn-1, while one in Zn-2. X-ray diffraction studies of Zn-2 show, distorted octahedral geometry around Zn(II). The two chlorolawsone ligands are in plane with the metal, while water molecules are trans to this plane. Formation of MOF has been observed in the synthesis of Zn-2 with chlorolawsone as organic linkers. The structure is stabilized by O-H center dot center dot center dot O, C-H center dot center dot center dot O hydrogen bonding H-bonding along with Cl center dot center dot center dot pi interactions to form a beautiful MOF architecture. Zn(II) atoms along with organic ligand form a tetramer via O-H center dot O interactions. The shortest Zn center dot center dot center dot Zn distance is 5.04 angstrom. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {3-Chloro-2-hydroxy-1, 4-naphthoquinone, MOF, Naphthoquinone, O-H center dot center dot center dot O hydrogen bonding, Vapochromic behavior, Zinc complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2012.05.012}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Puranik, Vedavati G.} } @article { ISI:000331157500011, title = {Molecular structures and biological evaluation of 2-chloro-3-(n-alkylamino)-1,4-napthoquinone derivatives as potent antifungal agents}, journal = {Journal of Molecular Structure}, volume = {1059}, year = {2014}, month = {FEB}, pages = {68-74}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Derivatives of 2-chloro-3-(n-alkylamino)-1,4-naphthoquinone (1-alkyl: methyl; L-1, ethyl; L-2, propyl; L-3 and butyl; L-4) have been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible spectroscopy, LC-MS and single crystal X-ray diffraction studies. Antifungal activity of L-1 to L-4 has been evaluated against Candida tropicalis, Candida albicans and Cladosporium herbarum. The intramolecular hydrogen bonding affects the N-H vibrational frequency in L-2 (3273 cm(-1)). The single crystal X-ray structure reveal that L-1 and L-3 crystallizes in triclinic P-1, whereas L-2 crystallizes in orthorhombic Pca2(1), space group. An extensive intra and intermolecular hydrogen bonding interactions were observed in L-1 to L-3 which leads to molecular association. Intramolecular N-H center dot center dot center dot O hydrogen bonding were observed in L-1 to L-3. Moreover pi-pi stacking interactions were observed between the quinonoid rings of L-1 and L-3, however no such interactions were observed in L-2. An electrochemical study showed molecular association of L-1 to L-4 in DMSO solution. Compounds L-1 to L-4 were found to be potent antifungal agents against all the three strains, especially against C. tropicalis. Amongst these promising antifungal candidates, L-1 showed better activity compared to the clinically administered antifungal drug Amphotericin B and Nitrofurantoin with MIC = 1.25 mu g ml(-1) and MIC = 0.025 mu g ml(-1) respectively against C. albicans. Structure and activity relationship (SAR) study suggest a LogP value of similar to 2.0 and the cyclic voltammetry studies reveals additional chemical processes for L-1, which exhibits maximum activity against all fungal strains. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Antifungal activity, LogP, Naphthosemiquinone, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.11.029}, author = {Pawar, Omkar and Patekar, Ashwini and Khan, Ayesha A. and Kathawate, Laxmi and Haram, Santosh K. and Markad, Ganesh and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000344470100036, title = {Molybdenum(VI) dioxo complexes for the epoxidation of allylic alcohols and olefins}, journal = {Journal of Organometallic Chemistry}, volume = {772}, year = {2014}, month = {DEC}, pages = {271-279}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Several molybdenum(VI) dioxo complexes have been investigated as catalyst precursors for allylic alcohol epoxidation using mainly hydrogen peroxide as oxidant. All catalysts proved to be efficient and selective for the epoxidation of allylic alcohols provided the olefins were rather electron rich. Indeed, electron poor substrates could be converted selectively into the corresponding unsaturated aldehydes. A chiral dioxomolybdenum complex based on an optically pure tridentate Schiff base ligand was synthesized and characterized. Though that complex provided an efficient epoxidation catalyst for allylic alcohols and olefins, no chiral induction was observed. During the X-ray diffraction analysis, the cooling at 100 K led to the appearance of super-lattice reflections on diffraction patterns reflecting an ordering of the structure. Instead of one organometallic species observed at 298 K, three similar complexes of the same molecular structure could be observed in the asymmetric unit at 100 K. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Allylic alcohol, epoxidation, Molybdenum, Oxidation, Peroxide}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2014.09.029}, author = {Pandhare, Swati L. and Jadhao, Rajesh R. and Puranik, Vedavati G. and Joshi, Pranaya V. and Capet, Frederic and Dongare, Mohan K. and Shubhangi B. Umbarkar and Michon, Christophe and Agbossou-Niedercorn, Francine} } @article { ISI:000330018400013, title = {Monitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand}, journal = {Bioconjugate Chemistry}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-114}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone I) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase.

}, issn = {1043-1802}, doi = {10.1021/bc400385d}, author = {Kate, Anup N. and Kumbhar, Anupa A. and Khan, Ayesha A. and Joshi, Pranaya V. and Puranik, Vedavati G.} }