Understanding the adsorption performance of hetero-nanocages (C 12 -B 6 N 6 , C 12 -Al 6 N 6 , and B 6 N 6 -Al 6 N 6 ) towards hydroxyurea anticancer drug: a comprehensive study using DFT.

Autor: Swarna MR; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Opi MH; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Ahmed T; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Piya AA; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Habiba U; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Shamim SUD; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd.

Publikováno v: Nanoscale advances [Nanoscale Adv] 2024 Oct 03. Date of Electronic Publication: 2024 Oct 03.

Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations.

Autor: Rifah SS; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh. sdshamim@mbstu.ac.bd., Zaman MS; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh. sdshamim@mbstu.ac.bd., Piya AA; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh. sdshamim@mbstu.ac.bd., Shamim SUD; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh. sdshamim@mbstu.ac.bd.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Feb 22; Vol. 26 (8), pp. 6667-6677. Date of Electronic Publication: 2024 Feb 22.

Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches.

Autor: Akter Piya A; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail 1902, Bangladesh., Ahmed T; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail 1902, Bangladesh., Khaleque MA; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail 1902, Bangladesh., Ahmed K; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail 1902, Bangladesh., Shamim SUD; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail 1902, Bangladesh.

Publikováno v: Computational & theoretical chemistry [Comput Theor Chem] 2022 Nov; Vol. 1217, pp. 113902. Date of Electronic Publication: 2022 Sep 30.

Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights.

Autor: Ema SN; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Khaleque MA; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Ghosh A; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Piya AA; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Habiba U; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd., Shamim SUD; Department of Physics, Mawlana Bhashani Science and Technology University Tangail Bangladesh sdshamim@mbstu.ac.bd.

Publikováno v: RSC advances [RSC Adv] 2021 Nov 17; Vol. 11 (58), pp. 36866-36883. Date of Electronic Publication: 2021 Nov 17 (Print Publication: 2021).

A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters Co n B m (n = 1.2; m = 6-8).

Autor: Shamim SUD; Department of Physics, Mawlana Bhashani Science and Technology University, Tangail, 1902, Bangladesh., Hussain T; Department of Physics, Jahangirnagar University, Dhaka, Bangladesh., Hossian MR; Department of Physics, Bangabandhu Sheikh Mujibur Rahman Science & Technology University, Gopalganj, 8100, Bangladesh., Hossain MK; Department of Physics, Jahangirnagar University, Dhaka, Bangladesh. khossain@juniv.edu., Ahmed F; Department of Physics, Jahangirnagar University, Dhaka, Bangladesh., Ferdous T; Department of Physics, Jahangirnagar University, Dhaka, Bangladesh., Hossain MA; Department of Physics, Jahangirnagar University, Dhaka, Bangladesh.

Publikováno v: Journal of molecular modeling [J Mol Model] 2020 May 25; Vol. 26 (6), pp. 153. Date of Electronic Publication: 2020 May 25.