01186nas a2200193 4500008004100000245012700041210006900168260000800237300001400245490000800259520048300267100001800750700001800768700001700786700002100803700002300824700001700847856012800864 2011 eng d00aDiamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution0 aDiamine derivative of a rutheniumIIpolypyridyl complex for chemo cFEB a115–1190 v3723 a

Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.

1 aGhosh, Amrita1 aDas, Priyadip1 aSaha, Sukdeb1 aBanerjee, Tanmay1 aBhatt, Harshad, B.1 aDas, Amitava uhttps://library.ncl.res.in/content/diamine-derivative-rutheniumii-polypyridyl-complex-chemodosimetric-detection-nitrite-ion02257nas a2200205 4500008004100000022001400041245020800055210006900263260011000332300001400442490000700456520133800463100001801801700002401819700002301843700001801866700002101884700001701905856012901922 2013 eng d a1477-052000aDesigning a thiol specific fluorescent probe for possible use as a reagent for intracellular detection and estimation in blood serum: kinetic analysis to probe the role of intramolecular hydrogen bonding0 aDesigning a thiol specific fluorescent probe for possible use as aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a6604-66140 v113 a

A new and simple chemodosimetric probe L-1 is utilized for the selective detection of biothiols in the presence of other relevant amino acids under physiological conditions (pH = 7.4). This eventually led to a turn-off luminescence response due to an effective photoinduced electron transfer based signaling mechanism. A comparison of the results of the fluorescence kinetic analysis and H-1 NMR studies of the reaction between thiol and L-1 or the analogous compound L-2 revealed the role of intramolecular hydrogen bonding in activating the imine functionality towards nucleophilic addition. Such an example is not common in contemporary literature. Conventional MTT assay studies revealed that this probe (L-1) has low cytotoxicity. Results of the cell imaging studies revealed that this probe was cell membrane permeable and could detect the intracellular distribution of biothiols within living HeLa cells. Furthermore, our studies with human blood plasma demonstrated the possibility of using this reagent for the quantitative optical detection of total biothiols in biological fluid. Such an example for the detection of biothiols in real biological samples is rare in the contemporary literature. These results clearly demonstrate the possibility of using this reagent in medicinal biology and diagnostic applications.

1 aDas, Priyadip1 aMandal, Amal, Kumar1 aReddy, Upendar, G.1 aBaidya, Mithu1 aGhosh, Sudip, K.1 aDas, Amitava uhttps://library.ncl.res.in/content/designing-thiol-specific-fluorescent-probe-possible-use-reagent-intracellular-detection-002096nas a2200193 4500008004100000022001400041245013300055210006900188260007100257300001600328490000800344520132200352100002401674700002001698700001401718700001701732700002301749856013001772 2014 eng d a1932-744700aDesign of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells0 aDesign of efficient metalfree organic dyes having an azacyclazin a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a20763-207710 v1183 a

The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.

1 aBiswas, Abul, Kalam1 aBarik, Sunirmal1 aSen, Anik1 aDas, Amitava1 aGanguly, Bishwajit uhttps://library.ncl.res.in/content/design-efficient-metal-free-organic-dyes-having-azacyclazine-scaffold-donor-fragment-dye-002185nas a2200241 4500008004100000022001400041245015900055210006900214260005700283300000800340490000700348520129500355653000801650653003101658653001701689653002001706653001101726100002401737700002001761700001701781700002301798856012201821 2016 eng d a1610-294000aDoes the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study0 aDoes the position of the electrondonating nitrogen atom in the r a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN a1210 v223 a

We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as pi-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and pi-conjugation on solar cell performance. The calculated electron-injection driving force (Delta G(inject)), electron-regeneration driving force (Delta G(regen)), light-harvesting efficiency (LHE), dipole moment (mu(normal)), and number of electrons transferred (Delta q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system.

10aDFT10aDye-sensitized solar cells10aOrganic dyes10aPosition effect10aTD-DFT1 aBiswas, Abul, Kalam1 aBarik, Sunirmal1 aDas, Amitava1 aGanguly, Bishwajit uhttps://library.ncl.res.in/content/does-position-electron-donating-nitrogen-atom-ring-system-influence-efficiency-dye01821nas a2200157 4500008004100000245015300041210006900194260000800263490000700271520118300278100002401461700001701485700001601502700001801518856012701536 2017 eng d00aDemonstrating the role of anchoring functionality in interfacial electron transfer dynamics in newly synthesized BODIPY-TiO2 nanostructure composite0 aDemonstrating the role of anchoring functionality in interfacial cMAY0 v413 aNew Bodipy derivatives (Dye 1 and 2) having catechol or resorcinol functionality for anchoring to the nanostructured (NS) TiO2 surfaces have been synthesized. Extended conjugation at one of the two pyrrole rings at the C3 position has helped us in achieving the desired control in tuning the optical and redox properties of the BODIPY based dye molecules. Relative emission quantum yields (em1 = ~52 ± 2% and em2 = 54 ± 2%) are found to be much higher in polar aprotic solvent (acetonitrile), while this are found to be substantially lower for dye 1 in polar protic solvent. Steady state optical absorption studies reveal the formation of a strong charge transfer complex between dye 1 and NS-TiO2, while this interaction is much weaker for dye 2. Transient absorption studies have been carried out for 1/NS-TiO2 and 2/NS-TiO2 systems following excitation with a laser source of 400 nm for understanding the charge transfer dynamics. Results of the transient absorption spectral studies helped in elucidating role of anchoring functionality in influencing the dynamics of the interfacial electron transfer and the charge recombination process in ultrafast time scale.1 aGhosh, Hirendra, N.1 aDas, Amitava1 aAute, Sunil1 aMaity, Partha uhttps://library.ncl.res.in/content/demonstrating-role-anchoring-functionality-interfacial-electron-transfer-dynamics-newly