01535nas a2200205 4500008004100000022001400041245009900055210006900154260007500223300001200298490000700310520074200317653002801059653002701087653002801114653001901142100001701161700002001178856013101198 2014 eng d a0369-820300aHigh charge carrier mobility in two dimensional indium (iii) isophthalic acid based frameworks0 aHigh charge carrier mobility in two dimensional indium iii isoph a5 LAJPATRAI RD, ALLAHABAD 211002, INDIAbNATL ACAD SCIENCES INDIAcJUN a331-3360 v843 a

The effect of dimensionality (1D to 2D) on charge carrier mobility have been studied thoroughly on three In(III)-isophthalate based MOFs [In-IA-1D, In-IA-2D-1 and -2]. In-IA-1D possess 1D nanotubular architecture with [(CH3)(2)NH2](+). In-IA-2D-1 have 2D layers containing only [(CH3)(2)NH2](+) cations. Whereas, In-IA-2D-2 have [(CH3)(2)NH2](+) cations as well as solvent DMF molecule inside the crystal structure. Due to presence of the pi-pi stacking arrangement among the phenyl rings of IA moieties facilitates the high charge carrier mobility (4.6 x 10(-3) cm(2) V-1 s(-1) at V-G = -40 V) in In-IA-2D-2. However, In-IA-1D and In-IA-2D-1 does not show any charge carrier mobility due to absence of pi-pi stacking arrangement.

10aCharge carrier mobility10aCoordination chemistry10ametal organic framework10api-pi stacking1 aPanda, Tamas1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/high-charge-carrier-mobility-two-dimensional-indium-iii-isophthalic-acid-based-frameworks-002832nas a2200289 4500008004100000022001400041245013800055210006900193260007300262300001000335490000900345520178500354653002402139653002402163653000902187653002302196653001902219100001702238700002102255700002102276700002102297700002302318700001902341700002602360700002702386856012902413 2014 eng d a0022-286000aMolecular structures and biological evaluation of 2-chloro-3-(n-alkylamino)-1,4-napthoquinone derivatives as potent antifungal agents0 aMolecular structures and biological evaluation of 2chloro3nalkyl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a68-740 v10593 a

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.

10aAminonaphthoquinone10aAntifungal activity10aLogP10aNaphthosemiquinone10api-pi stacking1 aPawar, Omkar1 aPatekar, Ashwini1 aKhan, Ayesha, A.1 aKathawate, Laxmi1 aHaram, Santosh, K.1 aMarkad, Ganesh1 aPuranik, Vedavati, G.1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/molecular-structures-and-biological-evaluation-2-chloro-3-n-alkylamino-14-napthoquinone-002519nas a2200301 4500008004100000022001400041245012600055210006900181260007300250300001100323490000900334520145600343653000601799653001601805653002101821653002401842653002101866653002101887653001901908100002701927700001701954700002001971700002101991700002602012700002602038700002802064856012502092 2014 eng d a0022-286000aSynthesis, characterization and molecular structures of homologated analogs of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone0 aSynthesis characterization and molecular structures of homologat aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a97-1030 v10563 a

Four analogues of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone (where n-alkyl is methyl in L-1Br, ethyl in L-2Br, propyl in L-3Br and butyl in L-4Br) are synthesized and characterized. A reaction mechanism is proposed for the formation of L-1 Br to L-4Br from the starting material 2,3-dibromo-1,4-naphthoquinone. The v(N-H) frequency in the FT-IR spectra is affected by the intramolecular hydrogen bonding in L-1Br to L-4Br and is observed similar to 3267 cm(-1) in L-2Br. A shift of similar to 25 cm(-1) is observed in the v(C-Br) frequency in all the compounds as compared to 2,3-dibromo-1,4-naphthoquinone (627 cm(-1)). A broad charge transfer band is observed between 400 and 600 nm in the UV-Vis spectra, which imparts red colour to all the compounds. Molecular structures of L-2Br and L-3Br were studied by single crystal X-ray diffraction studies. Molecules of L-2Br crystallize in Pca2(1), whereas the molecule L-3Br crystallizes in the P-1 space group. Molecules of L-2Br forms a polymeric chain through N-H...O interaction and forms beautiful butterfly like arrangement of molecules when viewed down the `a' axis. Ladder like polymeric chain of molecules is observed in L-3Br via C-H...O and N-H...O interactions. Every alternating neighbouring chains of L-3Br, show pi-pi stacking interactions between the quinonoid rings of the molecules, however this interaction is not observed in L-2Br. (C) 2013 Elsevier B.V. All rights reserved.

10a210a3-Dibromo-110a4-naphthoquinone10aAminonaphthoquinone10ahydrogen bonding10aMichael addition10api-pi stacking1 aSalunke-Gawali, Sunita1 aPawar, Omkar1 aNikalje, Milind1 aPatil, Rishikesh1 aWeyhermueller, Thomas1 aPuranik, Vedavati, G.1 aKonkimalla, Badireenath uhttps://library.ncl.res.in/content/synthesis-characterization-and-molecular-structures-homologated-analogs-2-bromo-3-n-002698nas a2200289 4500008004100000022001400041245016000055210006900215260007300284300001200357490000900369520162800378653002402006653001602030653002102046653001902067653001902086653001102105100001602116700002002132700001702152700003102169700002402200700002502224700002702249856013202276 2016 eng d a0022-286000aNaphthoquinone based chemosensor 2-(2 `-aminoethylpyridine)-3-chloro-1,4-naphthoquinone: detection of metal ions, X-ray -crystal structures and DFT studies0 aNaphthoquinone based chemosensor 22 aminoethylpyridine3chloro14n aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a132-1430 v11143 a

Naphthoquinone based Chemosensor 2; 2-(2'-aminoethylpyridine)-3-chloro-1,4-napthoquinone have been synthesized and characterized. Chemosensor 2 crystallizes in the orthorhombic space group Pbcn and shows extensive intramolecular as well as intermolecular hydrogen bonding interactions. Each molecule of Chemosensor 2 showed interaction with five neighboring molecules via C-H center dot center dot center dot N, N-H center dot center dot center dot N, C-H center dot center dot center dot Cl and C-H center dot center dot center dot O interactions. Slipped pi-pi stacking interaction was observed in adjacent quinonoid and benzenoid rings. Chemosensor abilities of Chemosensor 2 ligand have been evaluated with metal ions viz. Cu2+, Ni2+, Zn2+, Co2+, Fe3+, Mn2+, Cr3+, Hg2+, La3+ and Cd2+ in methanol, methanol-water mixture and in presence of mild base triethylamine. Stoichiometry of Chemosensor 2 with metal ions such as Cu2+, Ni2+, Zn2+ and Co2+ ions was determined by Jobs method in methanol and were found as 1:1 for Cu2+ and 2:1 for Ni2+, Zn2+ Co2+. The variation in the metal ligand ratio is observed in aqueous media for Cu2+. Chemosensor 2 can be used selectively for naked eye detection of Cu2+ ions. The association constant obtained in methanol shows the trend Cu2+>Ni2+>Co2+. Cu2+ and two (Ni-1 and Ni-2) Ni2+ complexes were synthesized. Ni-2 complex showed coordination of Chemosensor 2 ligands was through pyridine nitrogen's only. The Chemosensor 2 and its deprotonated forms in methanol, water and triethylamine were also studied by TD-DFT studies. (C) 2016 Elsevier B.V. All rights reserved.

10aAminonaphthoquinone10aChemosensor10ahydrogen bonding10aNaphthoquinone10api-pi stacking10aTD-DFT1 aPatil, Amit1 aWare, Anuja, P.1 aBhand, Sujit1 aChakravarty, Debamitra, K.1 aGonnade, Rajesh, G.1 aPingale, Subhash, S.1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/naphthoquinone-based-chemosensor-2-2-aminoethylpyridine-3-chloro-14-naphthoquinone-detection02921nas 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-ions