| Universiti Brunei Darussalam (Brunei Darussalam) | |
| 68 | Finely tuned energy gaps in host-guest complexes: Insights from belt[14]pyridine and fullerene-based nano-Saturn systems M. Maqbool, A. Ahsan, F. Ullah, A. Lakhani, N. S. Sheikh, T. Mahmood, M. A. Gilani and K. Ayub* Diam. Relat. Mater., 2024, 150, 111686. |
| 67 | Proton permeation and selective separation of hydrogen isotopes through fullerene nanocages (X12Y12): A DFT insights M. Asif, I. Bayach, N. S. Sheikh* and K. Ayub* Comput. Theor. Chem., 2024, 1241, 114910. |
| 66 | Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages: a density functional theory investigation M. Asif, M. H. S. A. Hamid, I. Bayach, N. S. Sheikh* and K. Ayub* Phys. Scr., 2024, 99, 105522. |
| 65 | Unparalleled single-atom catalytic efficiency of TM@Al12P12 (TM=Fe, Co, Ni, Cu) nanoclusters towards oxygen evolution reaction (OER) A. Allangawi, N. Kosar, K. Ayub, M. A. Gilani, N. S. Sheikh, M. Imran and T. Mahmood* Inorg. Chem. Commun., 2024, 169, 113014. |
| 64 | Experimental and computational anticorrosion behaviors of pyrazole s-triazine/anilino-morpholine derivatives for steel in acidic solutions H. H. Hammud*, W. A. Aljamhi, I. Shawish, N. H. B. Z. Arfan, M. H. S. A. Hamid, N. S. Sheikh*, H. M. A. El-Lateef*, A. Barakat and A. El-Faham ACS Omega, 2024, 9, 31714–31731. |
| 63 | Bis(dimethylpyrazolyl)-aniline-s-triazine derivatives as efficient corrosion inhibitors for C-steel and computational studies H. H. Hammud*, N. S. Sheikh*, I. Shawish, H. A. Bukhamsin, D. E. Al-Hudairi, A. L. X. Wee, M. H. S. A. Hamid, S. A. Maache, H. H. Al-Rasheed, A. Barakat, A. El-Fahem* and H. M. A. El-Lateef* R. Soc. Open. Sci., 2024, 11, 231229. |
| 62 | Exploring the sensing potential of g-C3N4 versus Li/g-C3N4 nanoflakes toward hazardous organic volatiles: A DFT simulation study M. Asif, N. Kosar, H. Sajid, S. Qureshi, M. A. Gilani, K. Ayub, M. Arshad, M. Imran, M. H. S. A. Hamid, I. Bayach*, N. S. Sheikh* and T. Mahmood* ACS Omega, 2024, 9, 3541–3553. |
| 61 | A computational investigation towards substitution effects on 8π electrocyclisation of conjugated 1,3,5,7-octtetraenes N. H. B. Z. Arfan, M. H. S. A. Hamid and N. S. Sheikh* RSC Adv., 2023, 13, 30787–30797. |
| 60 | Theoretical study of dodecafluorophenylene-based superalkalides with significantly high NLO response A. Sajjad, S. Sarfaraz, A. Ahsan, I. Bayach, M. H. S. S. Hamid, N. S. Sheikh* and K. Ayub* ACS Omega, 2023, 8, 45589–45598. |
| 59 | Comparative analysis of interaction of ionic liquids with porous and non-porous electrode materials A. Sajjad, S. Sarfaraz, N. S. SheikhH. H. Hamud and K. Ayub* J. Mol. Liq., 2023, 391, 123335. |
| 58 | Metallofullerenes as robust single-atom catalysts for adsorption and dissociation of hydrogen molecules: A DFT study S. Sarfaraz, M. Yar, A Lakhani, A. Gulzar, M. Ans, U. Rashid, M. Hussain, S. Muhammad, I. Bayach*, N. S. Sheikh* and K. Ayub* ACS Omega, 2023, 8, 36493–36505. |
| 57 | Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane M. Sohaib, H. Sajid, S. Sarfaraz, M. H. S. S. Hamid, M. A. Gilani, M. Ans, T. Mahmood, S. Muhammad, M. A. Alkhalifah*, N. S. Sheikh* and K. Ayub* Heliyon, 2023, 9, e19325. |
| 56 | Giant NLO response and deep ultraviolet transparency if dual (alkali/alkaline earth) metals doped C6O6Li6 electrides N. Kosar, S. Wajid, K. Ayub, M. A. Gilani, Nur Hazimah B. Z. Arfan, Malai Haniti S. A. Hamid, M. Imran, N. S. Sheikh* and T. Mahmood* Heliyon, 2023, 9, e18264. |
| 55 | Probing the catalytic activity of first-row transition metal doped C20 fullerene as remarkable HER electrocatalysts: A DFT study S. Sarfaraz, M. Yar, A. Lakhani*, N. S. Sheikh, I. Bayach* and K. Ayub* Mater. Sci. Semicond. Process., 2023, 167, 107785. |
| 54 | Role of delocalization, asymmetric distribution of p-electrons and elongated conjugated system for enhancement of NLO response of open form of Spiropyran based thermochromes N. Kosar, S. Kanwal, M. H. S. A. Hamid, K. Ayub, M. A. Gilani, M. Imran, M. Arshad, M. A. Alkhalifah*, N. S. Sheikh* and T. Mahmood* Molecules, 2023, 28, 6283. |
| 53 | Decorating Mg12O12 nanocage with late first-row transition metals to act as single atom catalysts for the hydrogen evolution reaction A. Allangawi, N. Kosar, K. Ayub, M. A. Gilani, N. H. B. Z. Arfan, M. H. S. A. Hamid, M. Imran, N. S. Sheikh* and T. Mahmood* ACS Omega, 2023, 8, 37820–37829. |
| 52 | A three orders of magnitude increase in nonlinear optical response by external electric field on Cryptand [2.2.2] (C222) based alkaline earthides A. Ahsan, F. Fayyaz, S. Sarfaraz, M. H. S. A. Hamid, N. A. Keasberry, K. Ayub* and N. S. Sheikh* Heliyon, 2023, 9, e17610. |
| 51 | Removal of malachite green using hydrochar from palm leaves H. H. Hammud*, M. A. Hammoud, A. A. Hussein, Y. Fawaz, M. H. S. S. Hamid and N. S. Sheikh* Sustainability, 2023, 15, 8939. |
| 50 | Transition metal sensing with nitrogenated holey graphene: A first-principles investigation U. Sohail, F. Ullah, N. H. B. Z. Arfan, M. H. S. A. Hamid, T. Mahmood, N. S. Sheikh* and K. Ayub* Molecules, 2023, 28, 4060. |
| 49 | Chiral recognition of amino acids using CC2 porous organic cages M. Asghar, A. Lakhani, M. Asif, N. S. Sheikh, M. A. Hashmi, R. Ludwig, H. H. Hammud* and K. Ayub* J. Phys. Chem. A, 2023, 127, 4245–4258. |
| 48 | Non-linear optical properties and photo-tunable adsorption of substituted dihydroazulene-vinylheptafulvene pair of photochrome I. Bayach*, N. Almutlaq, M. A. Alkhalifah, M. Asif, K. Ayub* and N. S. Sheikh* ACS Omega, 2023, 8, 18951–18963. |
| 47 | Rational design, stabilities and nonlinear optical properties of non-conventional transition metalides; New entry into non-linear optical materials M. A. Alkhalifah*, N. S. Sheikh, Y. S. S. Al-Faiyz, I. Bayach, R. Ludwig and K. Ayub* Materials, 2023, 16, 3447. |
| 46 | Transition metal-doped C20 fullerene-based single-atom catalysts with activity for hydrogen dissociation reaction S. Sarfaraz, M. Yar, N. S. Sheikh*, I. Bayach* and K. Ayub* ACS Omega, 2023, 8, 14077–14088. |
| 45 | Hydrogen dissociation reaction on first-row transition metal doped nanobelts I. Bayach*, S. Sarfaraz, N. S. Sheikh, K. Alamer, N. Almutlaq and K. Ayub* Materials, 2023, 16, 2792. |
| 44 | Efficient detection of nerve agents through carbon nitride quantum dots: A DFT approach Y. S. S. Al-Faiyz*, S. Sarfaraz, M. Yar, S. Munsif, A. A. Khan, B. Amin, N. S. Sheikh and K. Ayub* Nanomaterials, 2023, 13, 251. |
| 43 | Synthesis, DFT and X-ray studies of trans CuCl2L2 with L is E-(4-chlorophenyl)-N-(3-phenyl-4H-1,2,4-triazol-4-yl) methanimine H. H. Hammud*, M. Wehbie, M. M. Abdul-Ghani, Z. A. Gal, M. H. S. A. Hamid and N. S. Sheikh* Inorganics, 2023, 11, 18. |
| 42 | Geometric, electronic and optoelectronic properties of carbon-based polynuclear C3O[C(CN)2]2M3 (where M = Li, Na and K) clusters: A DFT study I. Baych*, A. Ahsin, S. U. Majid, U. Rashid, N. S. Sheikh and K. Ayub* Molecules, 2023, 28, 1827. |
| 41 | Remarkable single atom catalyst for transition metal (Fe, Co & Ni) doped on C2N surface for hydrogen dissociation reaction A. B. Shah, S. Sarfaraz, M. Yar, N. S. Sheikh, H. H. Hammud* and K. Ayub* Nanomaterials, 2023, 13, 29. |
| 40 | An integrated experimental and theoretical studies on the corrosion inhibition of carbon steel by harmal extract H. H. Hammud*, S. A. Maache, N. Al-Otaibi and N. S. Sheikh* Molecules, 2022, 27, 7250. |
| 39 | Covalent organic framework (C6N6) as drug delivery platform for fluorouracil to treat cancerous cell: A DFT study M. A. Alkhalifah*, M Yar, I. Bayach, N. S. Sheikh and K. Ayub* Materials, 2022, 15, 7425. |
| 38 | Photo-tunable absorption and non-linear optical properties of thermally stable dihydroazulene-vinylheptafulvene photochrome pair I. Bayach*, Y. S. S. Al-Faiyz, M. A. Alkhalifah, N. Almutlaq, N. S. Sheikh* and K. Ayub* ACS Omega, 2022, 7, 35863–35874. |
| 37 | Dynamic phenomena and complexation effects in the a-lithiation and asymmetric functionalization of azetidines P. Musci, M. Colella, A. Altomare, G. Romanazzi, N. S. Sheikh*, L. Degennaro* and R. Luisi* Molecules, 2022, 27, 2847. |
| King Faisal University (Saudi Arabia) | |
| 36 | A radical approach for the selective C–H borylation of azines J. H. Kim, T. Constantin, J. Llavaria, M. Simonetti, N. S. Sheikh, and D. Leonori* Nature, 2021, 595, 677–683. Highlight by Nature., 2021, 595, 652–653. Highlight by Chem., 2021, 7, 1703–1705. |
| 35 | Radical hydroxymethylation of alkyl iodides using formaldehyde as a C1 synthon L. Craiger, C. Sinton, T. Constantin, J. J. Douglas, N. S. Sheikh, F. Julia and D. Leonori* Chem. Sci., 2021, 12, 10448–10454. |
| 34 | Aminoalkyl radicals as halogen-atom transfer agents for activation of alkyl and aryl halides T. Constantin, M. Zanini, A. Regni, N. S. Sheikh, F. Julia* and D. Leonori* Science, 2020, 367, 1021–1026. Highlight by Chem., 2020, 6, 823–825. |
| 33 | Divergent strain-release amino-functionalization of [1.1.1] propellane with electrophilic nitrogen-radical J. Kim, A. Ruffoni, Y. S. S. Al-Faiyz, N. S. Sheikh* and D. Leonori* Angew. Chem. Int. Ed., 2020, 59, 8225–8231. Highlight by Synfacts, 2020, 16, 423. |
| 32 | A case of chain propagation: a-Aminoalkyl radicals as initiators for aryl radical chemistry T. Constantin, F. Julia, N. S. Sheikh and D. Leonori* Chem. Sci., 2020, 11, 12822–12828. Highlight by Org. Process. Res. Dev., 2020, 24, 2789. |
| 31 | Structures of selected transition metal complexes with 9-(2-hydroxyethyl)adenine: Potentiometric complexation and DFT studies H. H. Hammud*, K. T. Holman, M. Al-Noaimi, N. S. Sheikh, A. M. Ghannoum, K. H. Bouhadir, M. S. Masoud and R. K. Karnati J. Mol. Struct., 2020, 1205, 127548. |
| 30 | Reaction of nitrogen-radicals with organometallics under Ni-catalysis: N-arylations and amino-functionalizations cascades L. Angelini, J. Davies, M. Simonetti, L. L. Sanz, N. S. Sheikh and D. Leonori* Angew. Chem. Int. Ed., 2019, 58, 5057–5061. Selected as “Hot Paper” Highlight by ChemistryViews Nitrogen Radicals and Organometallic Colloids Highlight by Synfacts 2019, 15, 514. Highlight by Org. Process. Res. Dev., 2019, 23, 683. |
| 29 | Straightforward chemo- and Stereoselective fluorocyclopropanation of allylic alcohols: exploiting the electrophilic nature of the not so elusive fluoroiodomethyllithium M. Colella, A. Tota, A. Grobjohann, C. Carlucci, A. Aramini, N. S. Sheikh*, L. Degennaro* and R. Luisi* Chem. Commun., 2019, 55, 8430–8433. |
| 28 | Dihydroazulene-vinylheptafulvene based photoswitchable lewis pairs for tunable H2 activation N. S. Sheikh, M. A. Hashmi, S. Munsif, M. A. Gilani, M. A Alkhalifah, A. Khan and K. Ayub* Int. J. Hydrogen Energy, 2019, 44, 14780–14795. |
| 27 | Photo-tunable linear and non-linear optical response of cyclophanediene-dihydropyrene photoswitches B. Saima, N. Khan, Y. S. S. Al-Faiyz, R. Ludwig, W. Rehman, M. Habib-ur-Rehman, N. S. Sheikh* and K. Ayub* J. Mol. Graph. Model., 2019, 88, 261–272. |
| 26 | Photoinduced remote functionalizations of amides and amines using electrophilic nitrogen-radicals S. P. Marcillo, E. M. Dauncey, J. H. Kim, J. J. Douglas, N. S. Sheikh and D. Leonori* Angew. Chem. Int. Ed., 2018, 57, 12945–12949. |
| 25 | Photoinduced remote functionalizations via iminyl radical-promoted C–C and C–H bond cleavage cascades E. M. Dauncey, S. P. Marcillo, J. J. Douglas, N. S. Sheikh and D. Leonori* Angew. Chem. Int. Ed., 2018, 57, 744–748. Highlight by ChemistryViews Accessing Elusive Molecular Carbon Radicals |
| 24 | Photoredox synthesis of aryl-hydroxylamines from carboxylic acids and nitrosoarenes J. Davies, L. Angelini, M. A. Alkhalifah, L. L. Sanz, N. S. Sheikh* and D. Leonori* Synthesis, 2018, 50, 821–830. Invited submission for “Bürgenstock Special Section 2017 Future Stars in Organic Chemistry” Highlight by Synform |
| 23 | Photoredox imino functionalizations of Olefins J. Davies, N. S. Sheikh and D. Leonori* Angew. Chem. Int. Ed., 2017, 56, 13361–13365. Highlight by Synfacts, 2017, 13, 1205. |
| 22 | Visible-light-mediated reactions of electrophilic radicals with vinyl and allyl trifluoroborates D. F. Reina, A. Ruffoni, Y. S. S. Al-Faiyz, J. J. Douglas, N. S. Sheikh* and D. Leonori* ACS Catal., 2017, 7, 4126–4130. |
| 21 | Visible-light-mediated 5-exo–dig cyclizations of amidyl radicals D. F. Reina, E. M. Dauncey, S. P. Morcillo, T. D. Svejstrup, M. V. Popescu, J. J. Douglas, N. S. Sheikh* and D. Leonori* Eur. J. Org. Chem., 2017, 2108–2111. Invited submission for special issue on “Photoredox Catalysis” |
| 20 | Visible-light-mediated synthesis of amidyl radicals: Transition-metal-free hydroamination and N-arylation reactions J. Davies, T. D. Svejstrup, D. F. Reina, N. S. Sheikh and D. Leonori* J. Am. Chem. Soc., 2016, 138, 8092–8095. |
| 19 | Visible-light-mediated generation of nitrile oxides for the photoredox synthesis of isoxazolines and isoxazoles T. D. Svejstrup, W. Zawodny, J. J. Douglas, D. Bidgelli, N. S. Sheikh and D. Leonori* Chem. Commun., 2016, 52, 12302–12305. |
| 18 | Captodative substitution induced acceleration effect towards 4π electrocyclic ring–opening of substituted cyclobutenes N. S. Sheikh* RSC Adv., 2016, 6, 25503–25510. |
| 17 | Type–I dyotropic rearrangement for 1,2-disubstituted cyclohexanes: substitution effect on activation energy N. S. Sheikh* RSC Adv., 2016, 6, 10549–10556. |
| 16 | 4p electrocyclisation in domino processes: contemporary trends and synthetic applications towards natural products N. S. Sheikh* Org. Biomol. Chem., 2015, 13, 10774–10796. |
| 15 | Stereoselective synthesis of trans-THF rings using an oxidative cyclisation–radical deoxygentaion sequence: application to the formal synthesis of trans-(2R,5R)-linalool oxide N. S. Sheikh* RSC Adv., 2015, 5, 3941–3953. |
| 14 | Towards thermally stable cyclophanediene-dihydropyrene photoswitches N. Khan, N. S. Sheikh, A. F. Khan, R. Ludwig, T. Mahmood, W. Rehman, Y. S. S. Al-Faiyz and K. Ayub* J. Mol. Model., 2015, 21, 1–11. |
| 13 | Electric and mechanical properties of b-hydroxynaphthoic acid–maultiwalled carbon nanotubes–polystyrene nanocomposites A. S. Ayesh*, S. S. Ibrahim, A. A. Al-Jaafari, R. A. Abdel-Rahem, N. S. Sheikh and H. M. Kotb J. Thermoplast. Compos. Mater., 2015, 28, 863–878. |
| 12 | Novel dispersion of MWCNTs in polystyrene polymer induced by the addition of 3-hydroxy-2-napthoic acid R. A. Abdel-Rahem*, A. S. Ayesh, S. S. Ibrahim, A. A. Al-Jaafari, N. S. Sheikh and E. Yasin J. Dispersion Sci. Technol., 2015, 36, 747–754. |
| 11 | Synthetic endeavours towards oxasqualenoid natural products containing 2,5 disubstituted tetrahydrofurans – eurylene and teurilene N. S. Sheikh* Nat. Prod. Rep., 2014, 31, 1088–1100. |
| 10 | Comparative perspective and synthetic applications of transition metal mediated oxidative cyclisation of 1,5-dienes towards cis-2,5-disubstituted tetrahydrofurans N. S. Sheikh* Org. Biomol. Chem., 2014, 12, 9492–9504. |
| PhD & Postdoc Publications | |
| 9 | trans-2-Tritylcyclohexanol as a chiral auxiliary in permanganate-mediated oxidative cyclization of 2-methylenehept-5-enoates: Application to the synthesis of trans-(+)-linalool oxide A. M. Al Hazmi, N. S. Sheikh, C. J. R. Bataille, A. A. M. Al-Hadedi, S. V. Watkin, T. J. Luker, N. P. Camp, and R. C. D. Brown* Org. Lett., 2014, 16, 5104–5107. |
| 8 | Synthesis of 1-substituted tetrahydroisoquinolines by lithiation and electrophilic quench guided by in situ IR and NMR spectroscopy and application to the synthesis of salsolidine, carnegine and laudanosine X. Li, D. Leonori, N. S. Sheikh and I. Coldham* Chem. Eur. J., 2013, 19, 7724–7730. |
| 7 | An experimental and in situ IR spectroscopic study of the lithiation–substitution of N-Boc 2-phenylpyrrolidine and piperidine: Controlling the formation of quaternary stereocenters N. S. Sheikh, D. Leonori, G. Barker, J. D. Firth, K. R. Campos, A. Meijer, P. O’Brien* and I. Coldham* J. Am. Chem. Soc., 2012, 134, 5300–5308. |
| 6 | Asymmetric substitutions of 2-lithiated N-Boc-piperidine and N-Boc-azepine by dynamic resolution I. Coldham*, S. Raimbault, D. T. E. Whittaker, P. T. Chovatia, J. J. Patel, D. Leonori and N. S. Sheikh Chem. Eur. J., 2010, 16, 4082–4090. |
| 5 | Dynamic thermodynamic resolution of lithiated N-Boc-N¢-alkylpiperazines S. P. Robinson, N. S. Sheikh, C. A. Baxter and I. Coldham* Tetrahedron Lett., 2010, 51, 3642–3644. |
| 4 | Enantioselective formal synthesis of eurylene: Synthesis of the cis– and trans– THF fragments using oxidative cyclization N. S. Sheikh, C. J. Bataille, T. J. Luker and R. C. D. Brown* Org. Lett., 2010, 12, 2468–2471. Highlight by Synfacts, 2010, 8, 0854. |
| 3 | Dynamic resolution of N-Boc-2-lithiopiperidine I. Coldham*, S. Raimbault, P. T. Chovatia, J. J. Patel, D. Leonori, N. S. Sheikh and D. T. E. Whittaker Chem. Commun., 2008, 4174–4176. |
| Book Chapters | |
| 2 | Domino reactions including [2+2], [3+2] or [5+2] cyclcoadditions I. Coldham* and N. S. Sheikh* Application of Domino Transformations in Organic Synthesis 2 (Science of Synthesis Reference Library 2015/4b), ed. S. A. Snyder, Georg Thieme Verlag KG, Stuttgart, 2015, ch. 2.1.2, pp 47–91. |
| 1 | Dynamic resolutions of chiral organolithiums I. Coldham* and N. S. Sheikh Stereochemical Aspects of Organolithium Compounds, Topics in Stereochemistry, ed. R. E. Gawley, Helvetica Chimica Acta, Zurich, 2010, 26, ch. 7, pp 253–293. |
| Preprints | |
| 2 | Enhanced Sensitivity in Bromochlorodifluoromethane Detection: A Comparative Study of B12N12 and B12P12 Nanocages A. Abrar, Q. M. Ahmed, F. Arshad, N. Shahzad, K. Ayub, N. S. Sheikh, F. Ullah* and T. Jadoon* Adsorption, DOI: https://doi.org/10.21203/rs.3.rs-5050839/v1. |
| 1 | Al8P8 double nanoring as a high-performance sensor for SF6 decomposed gases: A DFT-D4 study F. Ullah*, N. H. B. Z. Arfan, K. Ayub, T. Mahmood and N. S. Sheikh* Adsorption, DOI: https://doi.org/10.21203/rs.3.rs-4655932/v1. |