02511nas a2200289   4500008004100000245010800041210006900149260000900218300001600227490000600243520146800249653003101717653001601748653003301764653004401797653003501841100001801876700002401894700003001918700002901948700002401977700002602001700002202027700001902049700002202068856013102090       2023                        eng d00aShape-controlled MoO3/MnO x nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs0 aShapecontrolled MoO3MnO x nanocatalyst for the selective synthes  cDEC   a23442-234530 v63 a<p>
	We have developed a highly effective shape-controlled MoO3/MnOx nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs at room temperature without any external oxidant. Electron microscopy images reveal that the MnOx material contains rod-shaped particles (length: 500-1000 nm and width: 150-200 nm) and the MoO3 species are uniformly dispersed in the MoO3/MnOx material. The MoO3/MnOx nanocatalyst calcined at 500 degrees C (MoO3/MnOx-5) contains abundant strong acid sites and an optimum ratio of Mn4+/Mn3+, which are responsible for the C-N cross-coupling reaction between 2-phenylethylamine and o-phenylenediamine, giving higher yields (&gt;96%) of 2-phenylquinoxaline at mild conditions. The broad scope of this catalytic strategy at room temperature and without an external oxidant was confirmed by achieving &gt;90% yields of functional 2-phenylquinoxalines from C-N cross-coupling of various o-phenylenediamines and 2-phenylethylamines. The outstanding reusability efficiency of the MoO3/MnOx-5 nanocatalyst up to five cycles without the need for a regeneration step as well as the effective scalability highlighted the practicability of the MoO3/MnOx-based catalytic protocol for carbon-heteroatom coupling reactions at room temperature and without an external oxidant. Using computational studies, the possible reasons for the selective synthesis of 2-phenylquinoxaline over the MoO3/MnOx-5 nanocatalyst were elucidated.</p>
10acascade C-N cross-coupling10aDFT studies10aroom temperature andopen air10ashape-controlled MoO3/MnOx nanocatalyst10astructure-activity correlation1 aSingh, Nittan1 aPutla, Suresh, Babu1 aSingh, Chandrodai, Pratap1 aKalbande, Pavan, Narayan1 aChoudhary, Priyanka1 aKrishnamurty, Sailaja1 aKrishnan, Venkata1 aBhatte, Kushal1 aSudarsanam, Putla  uhttps://library.ncl.res.in/content/shape-controlled-moo3mno-x-nanocatalyst-selective-synthesis-2-phenylquinoxaline-drug-motifs02744nas a2200205   4500008004100000022001400041245016100055210006900216260000900285300001400294490000700308520194100315100002702256700002102283700003002304700002602334700002602360700002102386856013102407       2026                        eng d  a1477-922600aDual-functional phosphomolybdic acid-polypyrrole-ionic liquid nanocomposites for energy storage and hydrogen evolution: experimental and theoretical studies0 aDualfunctional phosphomolybdic acidpolypyrroleionic liquid nanoc  cJAN   a1455-14720 v553 a<p>
	Recent advancements in pseudocapacitive materials for energy storage and catalytic activities highlight the benefits of incorporating nanostructured active materials. This study investigates the modification of polypyrrole (PPy) surfaces using polyoxometalate H4[PVMo11O40].xH2O (PVMo11) combined with ionic liquids hexadecyltrimethylammonium chloride (CTAC) and 1-benzyl-3-methylimidazolium chloride (BMI). Among various synthesized nanocomposites, PVMo11-BMI-PPy demonstrated superior electrochemical properties in a 0.25 M H2SO4 aqueous electrolyte, achieving a remarkable specific capacitance of 400 F g-1, an energy density of 49.5 W h kg-1 and a power density of 906 W kg-1 at a current density of 1 A g-1. It achieves a capacitive contribution of 94.5% at 10 mV s-1 with an impressive cyclic retention rate of 91.1% and a coulombic efficiency of 98.9% after 10 000 GCD cycles. Additionally, PVMo11-BMI-PPy exhibited outstanding electrocatalytic activity for hydrogen evolution reaction (HER), achieving the highest catalytic activity of 19 mV at a current density of 10 mA cm-2, outperforming the benchmark Pt catalyst. Its superior performance is underscored by a high TOF of 6.91 x 10-7 s-1 and excellent long-term stability in 0.5 M H2SO4 over 24 hours. It is a promising candidate for bifunctional activities such as energy storage and catalytic applications. Additionally, density functional theory (DFT) studies were conducted to gain insights into the enhanced performance of PVMo11-BMI-PPy. The thermodynamic and electronic characteristics indicate that the V site of PVMo11-BMI-PPy offers the most efficient and balanced catalytic environment for hydrogen evolution reaction (HER) compared with all other sites examined. These theoretical findings align well with experimental observations, demonstrating superior HER activity of the PVMo11-BMI-PPy catalyst, thereby confirming the computational predictions.</p>
1 aAnees, Muhammed, P. K.1 aIniyan, Selvaraj1 aSingh, Chandrodai, Pratap1 aKathiresan, Murugavel1 aKrishnamurty, Sailaja1 aMal, Sib, Sankar  uhttps://library.ncl.res.in/content/dual-functional-phosphomolybdic-acid-polypyrrole-ionic-liquid-nanocomposites-energy-storage