Search Results - "Shiekh, Bilal"

Triazole-tethered naphthalimide-ferrocenyl-chalcone based voltammetric and potentiometric sensors for selective electrochemical quantification of Copper(II) ions by Kaur, Sarbjeet, Shalini, Ahmad Shiekh, Bilal, Kumar, Vipan, Kaur, Inderpreet

“…[Display omitted] •A ferrocene based TNFC was synthesized and found sensitive towards Cu2+.•UV, fluorescence, DFT, NMR and HRMS studies confirmed binding of…”
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Biomimetic heterobimetallic architecture of Ni(ii) and Fe(ii) for CO2 hydrogenation in aqueous media. A DFT study by Shiekh, Bilal Ahmad

“…In this work, density functional theory has been employed to design a heterobimetallic catalyst of Ni(ii) and Fe(ii) for the effective CO2 hydrogenation to…”
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Hierarchy of Commonly Used DFT Methods for Predicting the Thermochemistry of Rh-Mediated Chemical Transformations by Shiekh, Bilal Ahmad

“…The accuracy and reliability of 17 commonly used density functionals in conjunction with Poisson–Boltzmann finite solvation model were gauged for predicting…”
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Mechanism of atom economical conversion of alcohols and amines to amides using Fe() pincer catalyst. An outer-sphere metal-ligand pathway or an inner-sphere elimination pathway? by Shiekh, Bilal Ahmad, Kaur, Damanjit

“…In this present theoretical study, we investigated the reaction mechanism of atom-economical amide formation from alcohols and amines mediated by iron( ii )…”
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Probing non-covalent interactions of phosphine and arsine derivatives: an energy decomposition analysis using localized molecular orbitals by Shiekh, Bilal Ahmad, Kaur, Damanjit, Kaur, Rajinder

“…Ab initio (MP2/aug-cc-pVTZ) and density functional theory (DFT) (B3PW91/aug-cc-pVTZ and B3LYP-D3/Def2-TZVPP) analyses have been carried out to characterize the…”
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In Silico Studies and In Vivo MAOA Inhibitory Activity of Coumarins Isolated from Angelica archangelica Extract: An Approach toward Antidepressant Activity by Kaur, Anudeep, Garg, Saweta, Shiekh, Bilal Ahmad, Singh, Nirmal, Singh, Palwinder, Bhatti, Rajbir

“…The current investigation was aimed at in vivo MAOA inhibitory activity of coumarins angelicin, bergapten, and scopoletin isolated from the roots of Angelica…”
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Biomimetic heterobimetallic architecture of Ni(ii) and Fe(ii) for CO 2 hydrogenation in aqueous media. A DFT study by Shiekh, Bilal Ahmad

“…In this work, density functional theory has been employed to design a heterobimetallic catalyst of Ni(ii) and Fe(ii) for the effective CO hydrogenation to…”
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Corrigendum to “Triazole-tethered naphthalimide-ferrocenyl-chalcone based voltammetric and potentiometric sensors for selective electrochemical quantification of Copper(II) ions” [J. Electroanal. Chem. 905 (2022) 115966] by Kaur, Sarbjeet, Shalini, Shiekh, Bilal Ahmad, Kumar, Vipan, Kaur, Inderpreet

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The role of torsional motion on the properties of propiolic acid and its H/D isotopic analogs: A density functional study using SCTST and a full anharmonic VPT2 model by Shiekh, Bilal Ahmad, Kaur, Damanjit

“…The effect of torsional motion on the thermodynamic and kinetic properties of propiolic acid has been studied using density functional theory in conjugation…”
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Highly sensitive sensing of Fe(III) harnessing Schiff based ionophore: An electrochemical approach supported with spectroscopic and DFT studies by Kaur, Sarbjeet, Shiekh, Bilal Ahmad, Kaur, Damanjit, Kaur, Inderpreet

“…[Display omitted] •Schiff base (SB) was synthesized and characterized using NMR, FT-IR and MS.•SB showed excellent voltammetric response towards Fe3+ with LOD…”
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Unprecedented synthesis of symmetrical azines from alcohols and hydrazine hydrate using nickel based NNN-pincer catalyst: An experimental and computational study by Shiekh, Bilal Ahmad, Kaur, Damanjit, Godara, Sachin Kumar

“…Azines are having widespread applications in both industry as well as synthetic chemistry. Thus new catalytic synthetic protocols are desirable as they are…”
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Biomimetic heterobimetallic architecture of Ni() and Fe() for CO hydrogenation in aqueous media. A DFT study by Shiekh, Bilal Ahmad

“…In this work, density functional theory has been employed to design a heterobimetallic catalyst of Ni( ii ) and Fe( ii ) for the effective CO 2 hydrogenation…”
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Unraveling the binding and micellization behavior of dioctylsulfosuccinate Sodium Salt with vitamin B1 and B6: A physiochemical and computational study by Kaur, Rupinder, Shiekh, Bilal Ahmad, Banipal, Parampaul K., Banipal, Tarlok S.

“…[Display omitted] The outcomes of drug delivery rely on the route of administration which further depends on the understanding of interactional or partitioning…”
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The theoretical-cum-statistical approach for the investigation of reaction NO2+O(3P)→NO+O2 using SCTST and a full anharmonic VPT2 model by Shiekh, Bilal Ahmad, Kaur, Damanjit, Seth, Bharti, Mahajan, Shalagha

“…The theoretical investigation of the titled reaction has been carried out using semiclassical transition state theory (SCTST) and a second order vibrational…”
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Effects of substituents and charge on the RCHO⋯X–Y {X = Cl, Br, I; Y = –CF3, –CF2H, –CFH2, –CN, –CCH, –CCCN; R = –OH, –OCH3, –NH2, –O−} halogen-bonded complexes by Kaur, Damanjit, Kaur, Rajinder, Shiekh, Bilal Ahmad

“…Noncovalent interactions involving halogen bonding interactions, one of the emerging interactions due to its directionality, have been a subject of interest…”
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In Silico Studies and In Vivo MAO A Inhibitory Activity of Coumarins Isolated from Angelica archangelica Extract: An Approach toward Antidepressant Activity by Kaur, Anudeep, Garg, Saweta, Shiekh, Bilal Ahmad, Singh, Nirmal, Singh, Palwinder, Bhatti, Rajbir

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InSilico Studies and In Vivo MAOA Inhibitory Activity of Coumarins Isolated from Angelica archangelica Extract: An Approach toward Antidepressant Activity by Kaur, Anudeep, Garg, Saweta, Shiekh, Bilal Ahmad, Singh, Nirmal, Singh, Palwinder, Bhatti, Rajbir

“…The current investigation was aimed at in vivo MAO A inhibitory activity of coumarins angelicin, bergapten, and scopoletin isolated from the roots of Angelica…”
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Giant Myelolipoma of the Adrenal Gland With Adenocarcinoma of the Colon: A Rare Surgico-Pathological Presentation by Reshi, Ruby, Bhat, Mohan L., Kadri, S. M., Shiekh, Bilal, Mir, Nazir, Nazir, Asima, Iqbal, Masood, Samuel, Bensson, Singh, J. B., Tasleem, Reyaz A.

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