02921nas a2200409 4500008004100000022001400041245010200055210006900157260000800226490000900234520164900243653004501892653001801937653002101955653001601976653002301992653001102015653001602026653000802042653003002050653002102080653001902101653001902120653001602139653001202155100001602167700002202183700002002205700002602225700002702251700002002278700001702298700001802315700002102333700002702354856013002381 2017 eng d a0022-286000aBinding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions0 aBinding selectivity of vitamin K3 based chemosensors towards nic cSEP0 v11433 a

The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.

10aAminonaphthoquinone Molecular-structures10aAnthraquinone10aAqueous-solution10aChemosensor10aCrystal-structures10aCu(II)10aDerivatives10aDFT10aFluorometric Chemosensors10ahydrogen bonding10aNaphthoquinone10api-pi stacking10aRecognition10asensors1 aPatil, Amit1 aLande, Dipali, N.1 aNalkar, Archana1 aGejji, Shridhar, P. (1 aChakrovorty, Debamitra1 aGonnade, Rajesh1 aMoniz, Tania1 aRangel, Maria1 aPereira, Eulalia1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/binding-selectivity-vitamin-k3-based-chemosensors-towards-nickelii-and-copperii-metal-ions01147nas a2200301 4500008004100000022001400041245010100055210006900156260000900225300001100234490000800245520016600253653000600419653001900425653001600444653002300460653002200483653002400505100001700529700002200546700002100568700002400589700002600613700002700639700002600666700002700692856012600719 2019 eng d a0277-538700aAmphiphilic polypyridyl ruthenium complexes: synthesis, characterization and aggregation studies0 aAmphiphilic polypyridyl ruthenium complexes synthesis characteri cMAY  a96-1070 v1643 a

{Synthesis and characterization of five amphiphilic ruthenium(11) complexes of the type [Ru(Cn)(3)]center dot(PF6)(2) (Cn = 4,4'-dialkyl-2,2'-bipyridine

10a210a2 `-bipyridine10aAggregation10aAmphiphilic ligand10aMetallosurfactant10aRuthenium complexes1 aBhand, Sujit1 aLande, Dipali, N.1 aPereira, Eulalia1 aGejji, Shridhar, P.1 aWeyhermueller, Thomas1 aChakravarty, Debamitra1 aPuranik, Vedavati, G.1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/amphiphilic-polypyridyl-ruthenium-complexes-synthesis-characterization-and-aggregation02005nas a2200253 4500008004100000022001400041245007700055210006900132260000900201300001400210490000700224520117700231100002201408700002701430700002701457700002201484700002201506700002401528700002401552700002101576700002601597700002001623856010801643 2020 eng d a1144-054600aSynthesis and biological activity of imidazole based 1,4-naphthoquinones0 aSynthesis and biological activity of imidazole based 14naphthoqu cMAY  a6889-69010 v443 a

Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.

1 aChoudhari, Dinkar1 aSalunke-Gawali, Sunita1 aChakravarty, Debamitra1 aShaikh, Samir, R.1 aLande, Dipali, N.1 aGejji, Shridhar, P.1 aRao, Pradeep, Kumar1 aSatpute, Surekha1 aPuranik, Vedavati, G.1 aGonnade, Rajesh uhttps://library.ncl.res.in/content/synthesis-and-biological-activity-imidazole-based-14-naphthoquinones02379nas a2200349 4500008004100000022001400041245013700055210006900192260000900261300001100270490000900281520118000290653000601470653002701476653003701503653003301540653003001573653002801603653003701631100002601668700001801694700001701712700002401729700001801753700002201771700002401793700002101817700002001838700002101858700002101879856012901900 2026 eng d a0022-286000aStructural characterisation, anticancer properties, and BSA binding of 2,6-dipyrazinylpyridines: Insights from experiment and theory0 aStructural characterisation anticancer properties and BSA bindin cFEB  a1442250 v13513 a

The phenyl-(2,6-di-2-pyrazinyl)pyridine derivatives (L1, L2) were synthesized using a one-pot Krohnke-type method, starting from 2-acetylpyrazine and substituted benzaldehydes. Their structures were characterized using a combination of spectroscopic (NMR, HRMS) and single-crystal X-ray diffraction techniques, complemented by density functional theory (DFT). Single-crystal X-ray diffraction reveals that L1 crystallizes in the C2/c space group (T = 296 K) with its supramolecular assembly being stabilized by C-H & ctdot;N and pi-pi stacking interactions, whereas L2 facilitates C-H & ctdot;N, N-H & ctdot;pi bifurcated, and pi-pi* interactions. The bio-interaction properties of L1 were studied using fluorescence spectroscopy with bovine serum albumin (BSA) as a model protein. Fluorescence studies demonstrated L1 induces static quenching of BSA, with a binding constant of 5.15 x 104 mol & sdot;dm-3. Synchronous and three-dimensional fluorescence spectra further demonstrated that L1 brings forth significant conformational changes in BSA. The compounds were evaluated for cytotoxicity against the HCT-116 human colorectal cancer cell line.

10a210a6-dipyrazinylpyridines10aBovine serum albumin interaction10aCytotoxicity (HCT-116 cells)10aDensity functional theory10aHalogenated derivatives10aSingle-crystal X-ray diffraction1 aEnumula, Sreenivasulu1 aShaikh, Javed1 aShaikh, Amin1 aSheikh, Kounsar, N.1 aTambe, Pranav1 aLande, Dipali, N.1 aGejji, Shridhar, P.1 aShaligram, Parth1 aGonnade, Rajesh1 aBhadbhade, Mohan1 aAhmed, Khursheed uhttps://library.ncl.res.in/content/structural-characterisation-anticancer-properties-and-bsa-binding-26-dipyrazinylpyridines