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The current study demonstrates the synthesis of coumarin-triazole hybrids 8 (a-e) in four steps starting from substituted salicylaldehyde 1 (a-e), and diethyl malonate 2. The spectroscopic studies provide the structure proofs of the new compounds, and the molecular structure of an intermediate 3a by crystallographic studies. The crystal structure analysis revealed the C-H...O, C-H... π, CO ...π and π...π molecular interactions. Further, the intermolecular interactions were quantified using Hirshfeld surface analysis and the DFT method B3LYP functional with 6-311þþ G (d,p) basis set was employed to optimize the molecular geometry. The synthesized new coumarintriazole hybrids, 8 (a-e) were screened for their α-amylase inhibitory potentials, and the results suggest that amongst the series, compounds 8c, and 8e show the promising inhibition of the enzyme, and might act as lead molecules for anti-diabetic activities. To understand the mode of action in silico molecular docking and ADME screening were performed.

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climate change. [1] Thus, there is an acute need to develop green technologies for converting solar energy into pure chemical energy that could reduce the greenhouse effect and alleviates the global energy crunch. [2] Photocatalytic CO 2 reduction into CO or economic hydrocarbon fuel like methane (CH 4 ), as well as photoelectrochemical water splitting into a zerocarbon emission fuel (H 2 production) are promising ways to convert and store solar energy. [2c,3] Semiconductor nanoparticles have gained interest in the fields of photocatalysis, water splitting, and energy conservation and conversion. [2b,3c,4] Among them, titanium oxide has played a significant role in efficiently mitigating air and water pollution problems due to its excellent optoelectronic properties and long-term photostability. [2c,4-7] Yet, the inappropriate large energy band gap, high electron-hole recombination, and unfavorably low solar light consumption have hindered the photoconversion efficiency of the pristine TiO 2 semiconductor. [2c,4b,8] Heterostructuring TiO 2 with an appropriate semiconductor is an operative approach to overcome its drawbacks and construct an efficient photocatalyst. [2c,4a,8] MoS 2 is an appealing semiconductor for fabricating heterostructured Regulating the transfer pathway of charge carriers in heterostructure photocatalysts is of great importance for selective CO 2 photoreduction. Herein, the charge transfer pathway and in turn the redox potential succeeded to regulate in 2D MoS 2 /1D TiO 2 heterostructure by varying the light wavelength range. Several in situ measurements and experiments confirm that charge transfer follows either an S-scheme mechanism under simulated solar irradiation or a heterojunction approach under visible light illumination, elucidating the switchable property of the MoS 2 /TiO 2 heterostructure. Replacing the simulated sunlight irradiation with the visible light illumination switches the photocatalytic CO 2 reduction product from CO to CH 4.13 CO 2 isotope labeling confirms that CO 2 is the source of carbon for CH 4 and CO products. The photo electrochemical H 2 generation further supports the switching property of MoS 2 /TiO 2 . Unlike previous studies, density functional theory calculations are used to investigate the band structure of Van der Waals MoS 2 /TiO 2 S scheme after contact, allowing to propose accurate charge transfer pathways, in which the theoretical results are well matched with the experimental results. This work opens the opportunity to develop photocatalysts with switchable charge transport and tunable redox potential for selective artificial photosynthesis.

Neutral ruthenium(II) p‐cymene complexes were synthesised by complexation of [Ru(η6‐p‐cymene)(μ‐Cl)Cl]2 with substituted methyl‐2‐pyrrolyl ketone benzhydrazone ligands in good yields. The characterization of the synthesised complexes was accomplished by analytical and spectroscopic techniques (FT‐IR, UV‐Vis, NMR, and ESI‐MS). Crystal structures of two of the complexes exhibited that the hydrazone ligand was bonded to ruthenium ion in a bidentate fashion via imine nitrogen and imidolate oxygen and witnessed ruthenium centered pseudo‐octahedral geometry. The catalytic feasibility of these Ru(II) complexes was explored for the direct aerobic synthesis of imine from the coupling of alcohols and amines in toluene medium with Cs2CO3 as a base without molecular sieves or any additives. The scope and versatility of the present catalytic system were performed with the diverse range of alcohols and amines such as primary/secondary aromatic, aliphatic, heteroaromatic, cyclic as well as chiral substrates under open atmospheric condition. Further, the tolerance of steric and electronic effects on substrates was evaluated. Besides, the effect of promoters on the reaction including solvents, bases, temperatures and catalyst loading was carried out as well.