Condensation Product of p-anisaldehyde and L-phenylalanine: Fluorescent "on-off" Sensor for Cu and IMPLICATION Logic Gate.

(Z)-2-(4-methoxybenzylideneamino)-3-phenylpropanoic acid (L) synthesized by condensation of p-anisaldehyde and L-phenylalanine acts as selective fluorescent as well as voltammetric sensor for Cu in 2:1 (v/v) CHOH:HO. The fluorescence intensity of L (λ 425 nm) is quenched ca. 65% by Cu.

Density Functional Study on the Adsorption of 5-Membered N-Heterocycles on B/N/BN-Doped Graphene: Coronene as a Model System.

Adsorption of seven 5-membered N-heterocycles on B/N/BN-doped graphene (with coronene as a model system) has been studied using density functional theory (DFT). The geometry of the complexes validated the involvement of both π···π stacking and N-H···π interaction in the adsorption process. The stability of the complexes is measured in terms of stabilization energy, and the results suggested that the complexes are stable enough (stabilization energies are in the range of 7.

Formation of Polymeric Housene Molecules of Group 15 Elements (N, P, As, and Sb): A DFT Study.

Recently, the formation of the dimeric stibahousene molecule, bis(stibahousene), has been reported. In line with the report, the formation of dimeric housene molecules with N, P, and As is examined in light of density functional theory. Moreover, the extension of the study from dimeric to tetrameric and hexameric molecules (N, P, As, and Sb) is also performed.

Condensation Product of Phenylalanine and Salicylaldehyde: Fluorescent Sensor for Zn(2.).

The condensation product of phenylalanine and salicylaldehyde (L) was synthesised and characterised which was found to be selective fluorescent "off-on" sensor for Zn(2+) ion with the detection limit 10(-5) M. The sensor is free of interferences from metal ions - Na(+), K(+), Al(3+), Mn(2+), Co(2+), Ni(2+), Cu(2+), Pb(2+), Cd(2+) and Hg(2+). The Fluorescence and the UV/visible spectral data reveals a 1:1 interaction between the sensor and Zn(2+) ion with binding constant 10(8).

Chiral modification of copper exchanged zeolite-Y with cinchonidine and its application in the asymmetric Henry reaction.

Chirally modified Cu(2+) exchanged zeolite-Y was synthesized by direct adsorption of cinchonidine under ambient conditions. The chirally modified materials were characterized using various spectrochemical and physicochemical techniques viz. BET, FTIR, MAS ((1)H and (13)C NMR), XPS, SEM, cyclic voltammetry and PXRD.

A New Fluorescent "Off-On" Sensor for Al(3+) Derived from L-alanine and Salicylaldehyde.

The condensation product of L-alanine and salicylaldehyde was synthesised and characterised which was found to be selective fluorescent "on" sensor for Al(3+) ion with the detection limit 10(-6) M. The sensor is free of interferences from metal ions - Na(+), K(+), Ca(2+), Mn(2+), Co(2+), Ni(2+), Cu(2+), Pb(2+), Cd(2+), Hg(2+) and Fe(3+). The Fluorescence and the UV/visible spectral data reveals a 1:1 interaction between the sensor and Al(3+) ion with binding constant 10(4.

Reactivity and aromaticity of nucleobases are sensitive toward external electric field.

Reactivity and aromaticity of DNA and RNA bases toward an external electric field are analyzed using density functional theory (DFT) and density functional reactivity theory (DFRT). Reactivity of the nucleobases is measured in terms of the DFT-based reactivity descriptor, such as energy of the HOMO, global hardness, electrophilicity, etc. and is observed to be sensitive toward the strength as well as direction of the applied external electric field.

Biosynthesis of Ag nanoparticles using pedicellamide and its photocatalytic activity: an eco-friendly approach.

The synthesis of silver (Ag) nanoparticles using by pedicellamide (A), isolated from Piper pedicellatum C.DC leaf is demonstrated here. TEM analysis revealed that the Ag nanoparticles predominantly form spherical in shape.

Substituent and Solvent Effects on the Absorption Spectra of Cation-π Complexes of Benzene and Borazine: A Theoretical Study.

Time-dependent density functional theory (TDDFT) has been used to predict the absorption spectra of cation-π complexes of benzene and borazine. Both polarized continuum model (PCM) and discrete solvation model (DSM) and a combined effect of PCM and DSM on the absorption spectra have been elucidated. With decrease in size of the cation, the π → π* transitions of benzene and borazine are found to undergo blue and red shift, respectively.

Effect of substituent and solvent on cation-π interactions in benzene and borazine: a computational study.

A DFT and ab initio quantum chemical study has been carried out at different theoretical levels to delve into the role of the cation-π interaction within the main group metal cations (Li(+), Na(+) and K(+)), substituted benzene and borazine. The effects of electron withdrawing and electron donating groups on these non-covalent forces of interaction were also studied. The excellent correlation between Hammett constants and binding energy values indicates that the cation-π interaction is influenced by both inductive and resonance effects.