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Enthusiastic researcher of chemical sciences

Other IDs

Scopus Author ID: 57206949858
SciProfiles: 1783468

Keywords

Computational chemistry, Cheminformatics, chemical and material research, DFT, Molecular dynamics simulations, Semi-crystalline Polymers, Polymer crystallization from melt and mechanical properties

Countries

India

Activities

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Education and qualifications (1)

Indian Institute of Chemical Technology: Hyderabad, Telangana, IN

2009-05-15 to 2015-07-22 | Doctor of Philosophy (Computational chemistry)
Education
Source: Self-asserted source
Mohammed Althaf Hussain

Works (20)

Coarse-Grained Simulations on Polyethylene Crystal Network Formation and Microstructure Analysis

Polymers
2024 | Journal article
DOI: 10.3390/polym16071007
EID:

2-s2.0-85189956597

Part of ISSN: 20734360
Contributors: Hussain, M.A.; Yamamoto, T.; Adil, S.F.; Yao, S.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier
grade
Preferred source (of 2)‎

Preparation and Characterization of High-Density Polyethylene with Alternating Lamellar Stems Using Molecular Dynamics Simulations

Polymers
2024 | Journal article
DOI: 10.3390/polym16020304
EID:

2-s2.0-85183078003

Part of ISSN: 20734360
Contributors: Hussain, M.A.; Yamamoto, T.; Adil, S.F.; Yao, S.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier
grade
Preferred source (of 2)‎

Material Property Recovery by Controlling the Melt Memory Effects on Recrystallization and on Crystal Deformation: An Approach by the Molecular Dynamics Simulation for Polyethylene

Polymers
2022 | Journal article
DOI: 10.3390/polym14153082
EID:

2-s2.0-85137089355

Part of ISSN: 20734360
Contributors: Yamamoto, T.; Hussain, M.A.; Yao, S.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier

Synthesis of 14-substituted-14h-dibenzo[a,j]xanthene derivatives in presence of effective synergetic catalytic system bleaching earth clay and peg-600

Catalysts
2021 | Journal article
DOI: 10.3390/catal11111294
EID:

2-s2.0-85117902523

Part of ISSN: 20734344
Contributors: Atkore, S.T.; Bondle, G.M.; Raithak, P.V.; Kamble, V.T.; Varala, R.; Kuniyil, M.; Hatshan, M.R.; Shaik, B.; Adil, S.F.; Hussain, M.A.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier

1,3-Di-naphthalimide Conjugate of Calix[4]arene as a Sensitive and Selective Sensor for Trinitrophenol and This Turns Reversible when Hybridized with Carrageenan as Beads

ACS Omega
2020-09-29 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Singlet oxygen generation by porphyrins and metalloporphyrins revisited: A quantitative structure-property relationship (QSPR) study

Journal of Photochemistry and Photobiology A: Chemistry
2020-08-07 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Supramolecular sensing of 2,4,6-trinitro phenol by tetra pyrenyl-conjugate of calix[4]arene: Applicability in solution, solid state, on the strips of cellulose and silica gel and the image processing by a cellular phone.

ACS Omega
2019-09-30 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Ratiometric Cu2+ Binding, Cell Imaging, Mitochondrial Targeting, and Anticancer Activity with Nanomolar IC50 by Spiro-Indoline-Conjugated Calix[4]arene

2019-08-08 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Development of Nitrobenzoxadiazole-Appended Calix[4]arene Conjugate (L) for Selective Sensing of Trivalent Cr3+, Fe3+, and Al3+ Ions in Solution and in the Solid State and Imaging MCF7 cells by {L + Al3+}

ACS Omega
2019-04-26 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Interaction of the Zn2+ and Cu2+ complexes of terpyridine appended glucosyl-conjugate with wheat germ agglutinin and DNA

Polyhedron
2019-04-25 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Physicochemical and Ion-Sensing Properties of Benzofurazan-Appended Calix[4]arene in Solution and on Gold Nanoparticles: Spectroscopy, Microscopy, and DFT Computations in Support of the Species of Recognition.

ACS omega
2018-12-11 | Journal article
DOI: 10.1021/acsomega.8b02848
PMID: 31458321
PMC: PMC6644172
Source: Self-asserted source
Mohammed Althaf Hussain

Fluorescent Lower Rim 1,3-Dibenzooxadiazole Conjugate of Calix[4]arene in Selective Sensing of Fluoride in Solution and in Biological Cells Using Confocal Microscopy

2018-08-28 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Buckybowls as adsorbents for CO<sub>2</sub>, CH<sub>4</sub>, and C<sub>2</sub>H<sub>2</sub>: Binding and structural insights from computational study

Journal of Computational Chemistry
2016 | Journal article
DOI: 10.1002/jcc.24242
EID:

2-s2.0-84949309844

Part of ISSN: 1096987X 01928651
Contributors: Hussain, M.A.; Vijay, D.; Narahari Sastry, G.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier

Computational Design of Functionalized Imidazolate Linkers of Zeolitic Imidazolate Frameworks for Enhanced CO<sub>2</sub> Adsorption

Journal of Physical Chemistry C
2015 | Journal article
DOI: 10.1021/acs.jpcc.5b08043
EID:

2-s2.0-84944410310

Part of ISSN: 19327455 19327447
Contributors: Hussain, M.A.; Soujanya, Y.; Sastry, G.N.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier

Estimating the binding ability of onium ions with CO<sub>2</sub> and π systems: A computational investigation

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c4cp03434a
EID:

2-s2.0-84919344008

Part of ISSN: 14639076
Contributors: Hussain, M.A.; Mahadevi, A.S.; Sastry, G.N.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier

Buckybowls as adsorbents for CO2, CH4 and C2H2: Binding and structural insights from computational study.

2015-12-23 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Computational design of functionalized imidazolate linkers of zeolitic Imidazolate frameworks for enhanced CO2 adsorption

2015-10-01 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Estimating the binding ability of onium ions with CO2 and π systems: A computational investigation.

2014-11-15 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Chemical examination of the soft coral sinulariakavarattiensis and evaluation of anti-microbial activity

Indian Journal of Chemistry -Section B (IJC-B)
2014-06-02 | Journal article
Source: Self-asserted source
Mohammed Althaf Hussain

Evaluating the efficacy of amino acids as CO <sub>2</sub> capturing agents: A first principles investigation

Environmental Science and Technology
2011 | Journal article
DOI: 10.1021/es2019725
EID:

2-s2.0-80053388063

Part of ISSN: 0013936X 15205851
Contributors: Hussain, M.A.; Soujanya, Y.; Sastry, G.N.
Source: Self-asserted source
Mohammed Althaf Hussain via Scopus - Elsevier
grade
Preferred source (of 2)‎

Peer review (3 reviews for 2 publications/grants)

Review activity for Journal of Saudi Chemical Society. (2)
Review activity for Proceedings of the Indian National Science Academy. Part A, Physical Sciences (1)
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