02122nas a2200253   4500008004100000022001400041245013700055210006900192260000800261300001400269490000700283520120200290653001801492653002101510653002501531653002601556653002801582100002601610700002201636700002401658700002901682700002601711856013101737       2021                        eng d  a0922-616800aSolvent free, environment benign synthesis of 1,4-dihydropyridines and polyhydroquinolines by using heterogeneous Zn/MCM-41 catalyst0 aSolvent free environment benign synthesis of 14dihydropyridines   cAUG  a3263-32870 v473 a<p>Heterogeneous catalysis has been utilized in number of efficient reactions with higher selectivity of the product, more stable, reusable and easy for separation as compared to homogeneous catalysts. Generally, heterogeneous catalysts are prepared by using mesoporous materials, microporous materials, metal oxides and metal organic framework. The mesoporous materials have small particle size and high surface area as compared to the microporous materials. The adsorbent mesoporous materials have highly efficient for the therapeutic applications in chemistry hence it has best as compared to other heterogeneous materials. Herein, we have reported synthesis of 1,4-dihydropyridines and polyhydroquinolines at solvent free and environmental benign condition in the presence of Zn/MCM-41 catalyst. The present protocol gives excellent yield (89-96%) of the product within short reaction time by easy work up procedure and no need of further purification of product. The catalyst was characterized by XRD diffractometer, SEM, EDAX, TGA-DTA, BET surface area analysis and FT-IR Spectroscopy. The synthesized organic compounds were characterized by FT-IR, H-1 NMR, C-13 NMR, LC-MS spectrometry.</p>10aHigh activity10aHigh selectivity10amesoporous materials10amicroporous materials10aReusability of catalyst1 aDhengale, Shankar, D.1 aNaik, Vaibhav, M.1 aKolekar, Govind, B.1 aRode, Chandrashekhar, V.1 aAnbhule, Prashant, V.  uhttps://library.ncl.res.in/content/solvent-free-environment-benign-synthesis-14-dihydropyridines-and-polyhydroquinolines-using02247nas a2200301   4500008004100000022001400041245013300055210006900188260000800257300001400265490000600279520122600285653001701511653002201528653002101550653002401571653002101595653002601616100002401642700002601666700002001692700002101712700001801733700001701751700002501768700002301793856012901816       2023                        eng d  a2574-096200aTheory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis0 aTheorydirected designing of an intrinsicactivitymodulated metald  cMAY  a6111-61190 v63 a<p>
	Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of &gt;95%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.</p>
10aActive sites10aammonia synthesis10aelectrocatalysis10aFaradaic efficiency10aHigh selectivity10ametal-doped electrode1 aTyagi, Nitin, Kumar1 aMahapatra, Bikash, K.1 aGhimire, Suvash1 aManna, Narugopal1 aKumar, Deepak1 aKumar, Vijay1 aMukhopadhyay, Kausik1 aSingh, Santosh, K.  uhttps://library.ncl.res.in/content/theory-directed-designing-intrinsic-activity-modulated-metal-doped-copper-oxide-electrode