Development of new organic synthetic methods fascinating the researchers which facilitating the increasing demands of the modern society, environmental friendly with high efficiency and low cost. The introduction of chromophores in an organic molecules facilitating intersystem crossing (ISC) to harvest both singlet and triplet excitons is also currently demanding field. We report a facile synthesis of symmetrical azines from carbonyl compounds and hydrazine hydrate with carboxylic acid esters as catalyst in methanol. This reaction presents a condensation of primary amino groups in hydrazine hydrate and carbonyl compounds took place simultaneously in a very short refluxing time. The prepared azines 1-10 were structurally analysed by various analytical techniques such as LC-MS1, H NMR13, C NMR, UV-Vis, FTIR and single crystal X-ray diffraction. Photoluminescence properties of prepared azines were recorded in CCl4 at 1 x 10-3 M and excitation range from 329 to 362 nm. The photoluminescence analysis results revealed that compounds 1-10 (except 8) were showed delayed fluorescence and 8 was showed fluorescence property. The photophysical properties of compounds 1-10 such as electron density and band gap energies was calculated by density function theory. This results revealed that the intra-molecular charge transfer occurs within the azines. The azine function in the azines enabling intersystem crossing hence, it is showing phosphorescence.

The organic pollutants present in wastewater produce greenhouse gas, CO2. Effective utilization of CO2 into valuable green fuels and its sensing is focused research area. Aiming above, this work is focused on fabrication of electrochemical coupled sensing system for degradation of 4-nitrophenol to CO2 from wastewater samples, electrochemical reducing system for transforming CO2 to alcohols and selective amperometric sensing system for quantifying alcohols. A graphene anchored iron oxide electrode was used as an electrocatalyst to facilitate the electrochemical oxidation process to mineralized organic pollutants into water and CO2. The CuO film on silicon substrate was used in cathodic compartment for converting CO2 to methanol and ethanol. Alcohol oxidase modified Au–Cu nanoparticle modified pencil graphite was selective sensing and quantifying the methanol and ethanol. The experimental results revealed that, graphene anchored iron oxide showed maximum degeneration of 4-nitrophenol 72

Women below 40 years greatly suffer from triple negative breast cancers (TNBCs). Compared to other breast cancer cases, the poor prognosis and lower survival rate of TNBC patients make it an alarming task to save the human era from this dreadful disease. Therefore, identifying potential novel leads is urgently required to combat the TNBC. To discover a novel anticancer agent, we synthesized a series of novel 4-aminophenolbenzamide-1,3,4 oxadiazole hybrid analogues (7a-l). The structure of the compounds was confirmed by spectral methods (1H & 13C NMR, IR and MS). All the compounds were subjected to their in-silico and in-vitro antiproliferative studies against the TNBC cell lines MDA-MB-468 and MDA-MB-231. The investigations revealed that 7i has significantly promoted apoptosis against MDA-MB-468 and MDA-MB-231 cells with IC50 values of 16.89 and 19.43 µM, respectively. Molecular docking of 7i, with MAPK has exhibited the highest binding score of -7.10 kcal/mol by interacting with crucial amino acids present at the active sites. Molecular docking is further validated with molecular dynamic studies with simulation for 100 ns, depicting various stable interactions with MAPK. Compound 7i, forms stable H-bonds and π-π stacking with amino acid residues. Molecular dynamic simulation (MDS) reveals that hydrophobic and water bridges were very prominent for 7i to bind, with the amino acid residues in close proximity to the active site of p38 MAPK. The investigations show that the In-vitro antiproliferative study of 7i agreed with the in-silico studies. Collectively, our investigations depict 7i as a potent novel lead for the inhibition of TNBCs by targeting p38 MAPK.Communicated by Ramaswamy H. Sarma.

In our study, a series of novel 4-aminophenol benzamide-1,2,4-oxadiazole hybrid analogues have been designed and synthesized by condensing 4-hydroxyphenyl arylamides (3a-c) and 5-chloromethyl-3-aryl-1,2,4-oxadiazoles (6a-d). The structure of the synthesised compounds was verified by various spectroscopic techniques (1H NMR, 13C NMR, IR and LC-MS). All the prepared compounds were subjected to in silico and in vitro antiproliferative study against TNBC cell lines MDA-MB-468 and MDA-MB-231. The investigations revealed that compound 7k significantly promoted apoptosis against MDA-MB-468 and MDA-MB-231 cells with IC50 values of 22.31 µM and 26.27 µM, respectively. Compound 7k interacted with crucial active sites of MAPK and exhibited the highest docking score of -7.06 kcal/mol. Docking was validated with molecular dynamic studies with simulation for 100 ns, depicting various stable interactions with MAPK. Consequently, 7k forms stable H-Bonds and π-π stacking with amino acid residues along with π-cation. Our investigations reveal that the in vitro antiproliferative study of 7k was in good correlation with the in silico studies. Hence, 7k serves as a potential novel lead for the inhibition of TNBCs by downregulating MAPK P38.Communicated by Ramaswamy H. Sarma.

In this work, we report a facile sonochemical method for synthesising CuO, g-C3N4 nanoparticles and CuO@g-C3N4 nanocomposite materials and the as-synthesized materials were well characterized using various analytical such as XRD, FE-SEM, EDX, FTIR, Raman, EIS, UV-visible, UV-DRS, PL and XPS techniques. The CuO@g-C3N4 nanocomposite photocatalyst was exhibited an excellent photocatalytic degradation effect towards Eriochrome black T (EBT) dye due to its low optical energy band gap (Eg = 2.74 eV) in aqueous solution at different pH values (2.0–12.0), irradiation time (sec), concentrations of catalyst, and dye. The greater depth of EBT dye degradation (98.17

A series of superabsorbent polymers (SAPs) were synthesized free-radically using hydroxyethyl methacrylate (HEMA), acrylic acid (AA) and its potassium salt, methacrylic acid (MAA) and its potassium salt as monomers, and N,N'-Methylenebisacrylamide (N,N-1-MBA) as crosslinker. The synthesized SAPs were evaluated for their chemical structure (FT-IR), thermal stability (TGA/DTG), surface morphology (SEM), and water, fertilizers uptake and release characteristics (swelling and deswelling). A SAP with the optimized composition of monomer and crosslinker had absorbed 898 g/g of water, and 68% of urea and 51% of potash from the 1% corresponding fertilizer solutions. The equilibrium swollen SAP had released the absorbed water completely over 21 days, but only 28% of potash and 43% of urea were released from the fertilizer-loaded SAPs under identical conditions with the same duration of release time. The water uptake followed Fickian diffusion mechanism for the optimized SAP. Thus obtained experimental results revealed that the synthesized SAP may be used as the matrix for the controlled release of water and fertilizers in the agricultural sector.

A (Z)-N'-benzylidene-2-hydroxy benzohydrazide (L) was prepared from salicylic acid hydrazide and benzaldehyde. The synthesized compound is structurally characterized by single crystal X-ray diffraction, elemental analysis, molar conductivity and spectroscopy (NMR, UV–Vis and FT-IR) techniques. The results of analytical methods indicate that the ligand is an acylhydrazone; possessing active groups easily take part in complexation with metal ions. Five metal complexes with formula MnL2 (1), CoL2 (2), CuL2 (3), ZnL2 (4) and CdL2 (5) were synthesized and characterized by various analytical (UV–Vis, FT-IR, Elemental (CHN) analysis and ESR) techniques. The interaction of ligand L and its complexes 1–5 with calf thymus DNA was carried out by electronic absorption spectroscopy. The results revealed that ligand L and its complexes 1–5 showed hypochromism. Photoluminescence properties of synthesized molecules were recorded and fluorescence intensity of molecules changes with excited wavelength.

A Novel (E)-2-(1-(3-aminophenyl)ethylidene)hydrazinecarboxamide 1 was synthesized by traditional method and converted to (E)-2-(2-aminobenzylidene)hydrazinecarboxamide 2 by single step in DMSO at room temperature. Synthesized compound 1 was analysed by spectroscopy (NMR and LC–MS) techniques and molecule 2 was characterized using single crystal X-ray diffraction and spectroscopy (NMR and GC–MS) techniques. These analytical technique results revealed that, C-demethylation and 1, 2 amino shift in phenyl ring of compound 1 gives molecule 2. DNA binding studies of compounds 1 and 2 was carried out by electronic absorption spectroscopy. This result revealed that, compounds 1 and 2 showed hyperchromism with bathochromic shift. Anticancer activity of compounds 1 and 2 is carried out by molecular docking with five receptors.Computer aided virtual screening demonstrated that the synthesized molecules possess ideal drug likeliness, pharmacokinetics features, toxicity profile for structure based drug discovery. The molecular docking studies revealed that the synthesized molecules are significant binding with the five selected cancer receptors with minimum binding energy (kcal/mol), number of hydrogen bonds, weak interaction, docking score and cluster RMS. The docking studies also suggested that the molecules showed interactions with DNA and the theoretical values of the binding are comparable with that of the experimental values. Hirshfeld surface analysis was used to analyze and quantify the intermolecular interactions in the crystal structure of compound 2.

In recent years, key study was designing nanomaterials (NMs) with tunable properties in order to obtain high functional materials. For this purpose, an attempt with great effort has been put forward to synthesize ZrO2:Eu:Li (1-11 mol%) NM with varying concentration of Li+ ion that can have a control over phase, size, morphology, crystallinity, band gap and surface chemistry. More importantly, addition of Li as codopant influences the phase and crystallinity change with the change in concentration. However important challenges faced by this work was to understand the phase change, crystallinity, structural change and photocatalytic activity which has to be still explored. The synthesized NMs possess mixed phase and cubic phase with change in concentration of codopant which may be attributed to presence of defect states, micro strain, distortion of lattice. The energy band gap was found to decrease for 7 mol% NM attributed to the change in the phase. Porous morphology with variation in pore length was observed. Enhanced luminescence intensity with intense orange red emissions consistent to D-5(0) -> F-7(j) (j = 0 to 4) intra configurational f-f transitions was observed for ZrO2:Eu:Li+(1-11 mol%) nanophosphor excited at 394 nm. The visualization of latent fingerprints using ZrO2: Eu: Li-7mol%(+) nanophosphor on several surfaces, the powder dusting technique was adopted. The enhanced fingerprint under UV light provides well resolved ridge patterns for the identification of individual latent finger prints using ZrO2:Eu:Li (7 mol%) with clear resolution. Lower charge transfer resistance with enhanced photocatalytic activity for decolourization of Rhodamine B with high pore length to allow multiple reflections under UV light irradiation for 7 mol% NM with reduced band gap and optimum luminescence intensity was observed. Hence, the synthesized ZrO2:Eu:Li (7 mol%) can be employed in forensic science towards latent fingerprint development, as a photocatalyst for environmental remediation and as luminescent material in display applications.

An environmental benign and efficient reaction was carried out via amine exchange and condensation reaction in water and methanol mixture (3:1) and absence of catalyst between 1-[3-(2-hydroxy benzylidene)amine)phenyllethanone and benzhydrazide yields methaniminium hydrazone Schiff base in high yield. The prepared ligand was structurally characterized by using single crystal XRD, elemental analysis and spectroscopy (UV-Vis, Fr-IR, LC-MS and NMR) techniques. The crystal data indicates the ligand crystallizes in orthorhombic system with Pna2(1) space group. Further, the ligand was used in synthesis of mononuclear Mn(II), Co(II), Ni(II), COI), Zn(II) and Cd(II) complexes and were characterized by elemental analysis, magnetic moment and spectroscopy (UV-Vis, FT-IR and ESR) studies. The spectral data showed that ligand is coordinated to the metal ion through azomethine nitrogen and methaniminium nitrogen. The DNA binding absorption titrations reveals that, ligand, L and its metal complexes, 1-6 are avid binders to CT-DNA. The apparent binding constant values of compounds are in the order of 10(6) M-1. The nuclease activity of ligand, L and its metal complexes, 1-6 were investigated by gel electrophoresis method using pUC(18) DNA. The photoluminescent properties of the methaniminium hydrazone ligand, L and its various metal complexes, 1-6 were investigated. The emission spectra of both ligand (L) and metal complexes (1-6) exhibits emission in the range of blue to red. (C) 2018 Elsevier B.V. All rights reserved.

An environmentally benign and efficient reaction was developed for the preparation of (E)-(2-(2hydroxybenzylidene)hydrazinyl)(pyridin-4-yl)methaniminium in the presence of water acting solvent and also catalyst with very high yield. In which, amine exchange and condensation reaction taken place between Nsalicylidene aniline and isonicotinic acid hydrazide yields a novel methaniminium hydrazone at one step and very short time. The compound was structurally characterized by using single crystal X-RD and spectroscopy (FT-IR and NMR) techniques. The single X-RD results indicate that the ligand crystallizes in monoclinic system with P21/n space group.The investigation of DNA binding of the prepared compound was undertaken by electronic absorption titration method. The methaniminium hydrazone was showed hypochromism of 1.96% at 301nm; intrinsic DNA binding constant is 6.3111x106 M-1. Keywords-Amine exchange reaction, Condensation reaction, Hypochromism, Methaniminium, Spectroscopy. -------------------------------------------------------------------------------------------------------------------------------------Date of Submission: 17-07-2017 Date of acceptance: 31-07-2017 -------------------------------------------------------------------------------------------------------------------------------------

The DNA binding properties of clopidogrel bisulphate, was examined by cyclic voltammetry, fluorescence and UV spectroscopy.Shift in peak potential, decrease in peak current in cyclic voltammetry, hypochromic effect in UV titration and quenched emission intensity of ethidium bromide bound to calf thymus DNA signal indicated clopidogrel bisulphate has displaced ethidium bromide from its binding site in DNA.The binding constant is calculated using absorbance and is found to be closer to that estimated in voltammetric measurements.The results also corroborated well with fluorescence measurements and represent that the binding proceeds by intercalation