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Papers by Md. Mehade Hasan
Journal of Molecular Modeling, 2022
Adsorption of CCl3F, CCl2F2, CClF3, F2, and O2 has been investigated systematically on the polyth... more Adsorption of CCl3F, CCl2F2, CClF3, F2, and O2 has been investigated systematically on the polythiophene (PT) moieties using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level. Here, geometry optimizations have been performed on some polythiophene (5PT and 7PT) complexes. Likewise, adsorption energies, dipole moments, HOMO–LUMO orbital analysis, density of states (DOSs), global indices, and UV–vis spectra are calculated using the DFT method. Energies of interaction and HOMO–LUMO gap show that polythiophene has the highest sensitivity toward O2 for B3LYP functional. According to our findings, CFCs, F2, and O2 molecules can be physically adsorbed on the moieties of polythiophene.
Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have ... more Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have been measured using particle induced X-ray emission (PIXE) technique. The sample were dried, pressed to make pellet and then bombarded with accelerator proton at 3 MV Van de Graff Accelerator laboratory of Atomic Energy Centre, Dhaka, (AECD). The X-ray emitted in the irradiation were measured by Lithium Drifted Silicon Detector Si (Li). The scattering chamber with associated all other circuitry and software MAESTRO-32 has been used for data acquisition and the collected data has been analyzed using GUPIX software. A number of major and trace elements were found to be in varying concentrations in the investigated medicinal plants. The contents of K and Ca are being notably large in medicinal plants samples. No toxic elements were detected in the investigated samples.
Journal of Nuclear and Particle Physics, 2013
The activity concentrations of naturally occurring radionuclides Ra-226, Th-232 and K-40, were me... more The activity concentrations of naturally occurring radionuclides Ra-226, Th-232 and K-40, were measured by using a gamma ray spectrometry for coal, soil and water samp les collected fro m the Barapukuria coal mine in Dinajpur district of Bangladesh. The average activity concentrations of Ra-226, Th-232 and K-40 in coal samples were found to be 6.21±3.68, 10.69±7.5 and 185.76±138.86 Bq kg -1 , respectively; and those for active soil samples were found to be 23.54±2.6, 52.10±4.73 and 603.17±66.40 Bqkg -1 , respectively; and for passive soil samples were 36.75±3.38, 76.79±5.53 and 607.18±83.50 Bq kg -1 , respectively. The results for both the soil samples obtained for the corresponding nuclides are slightly higher than the wo rld wide average values of 35, 30 and 400 Bq kg -1 respectively except that of Ra-226 for active soil samples. The activity contents of the water samp les did not show any evidence of enhancement due to the min ing activit ies. The average absorbed dose rate (D) a...
Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have ... more Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have been measured using particle induced X-ray emission (PIXE) technique. The sample were dried, pressed to make pellet and then bombarded with accelerator proton at 3 MV Van de Graff Accelerator laboratory of Atomic Energy Centre, Dhaka, (AECD). The X-ray emitted in the irradiation were measured by Lithium Drifted Silicon Detector Si (Li). The scattering chamber with associated all other circuitry and software MAESTRO-32 has been used for data acquisition and the collected data has been analyzed using GUPIX software. A number of major and trace elements were found to be in varying concentrations in the investigated medicinal plants. The contents of K and Ca are being notably large in medicinal plants samples. No toxic elements were detected in the investigated samples. The natural plants which are used for the treatment of living beings are known as medicinal plant. More than five hundred t...
Physica E: Low-dimensional Systems and Nanostructures
Phosphorus, Sulfur, and Silicon and the Related Elements
Journal of Molecular Liquids
Journal of Biomolecular Structure and Dynamics
Nuclear Engineering and Technology
Computational and Theoretical Chemistry
The detection and measurement of radionuclides in feed coal, bottom ash and fly ash samples colle... more The detection and measurement of radionuclides in feed coal, bottom ash and fly ash samples collected from Barapukuria 2×125 MW coal-fired thermal power plant in Dinajpur district of Bangladesh, have been performed by gamma ray spectrometry technique.
Journal of Molecular Modeling, 2022
Adsorption of CCl3F, CCl2F2, CClF3, F2, and O2 has been investigated systematically on the polyth... more Adsorption of CCl3F, CCl2F2, CClF3, F2, and O2 has been investigated systematically on the polythiophene (PT) moieties using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level. Here, geometry optimizations have been performed on some polythiophene (5PT and 7PT) complexes. Likewise, adsorption energies, dipole moments, HOMO–LUMO orbital analysis, density of states (DOSs), global indices, and UV–vis spectra are calculated using the DFT method. Energies of interaction and HOMO–LUMO gap show that polythiophene has the highest sensitivity toward O2 for B3LYP functional. According to our findings, CFCs, F2, and O2 molecules can be physically adsorbed on the moieties of polythiophene.
Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have ... more Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have been measured using particle induced X-ray emission (PIXE) technique. The sample were dried, pressed to make pellet and then bombarded with accelerator proton at 3 MV Van de Graff Accelerator laboratory of Atomic Energy Centre, Dhaka, (AECD). The X-ray emitted in the irradiation were measured by Lithium Drifted Silicon Detector Si (Li). The scattering chamber with associated all other circuitry and software MAESTRO-32 has been used for data acquisition and the collected data has been analyzed using GUPIX software. A number of major and trace elements were found to be in varying concentrations in the investigated medicinal plants. The contents of K and Ca are being notably large in medicinal plants samples. No toxic elements were detected in the investigated samples.
Journal of Nuclear and Particle Physics, 2013
The activity concentrations of naturally occurring radionuclides Ra-226, Th-232 and K-40, were me... more The activity concentrations of naturally occurring radionuclides Ra-226, Th-232 and K-40, were measured by using a gamma ray spectrometry for coal, soil and water samp les collected fro m the Barapukuria coal mine in Dinajpur district of Bangladesh. The average activity concentrations of Ra-226, Th-232 and K-40 in coal samples were found to be 6.21±3.68, 10.69±7.5 and 185.76±138.86 Bq kg -1 , respectively; and those for active soil samples were found to be 23.54±2.6, 52.10±4.73 and 603.17±66.40 Bqkg -1 , respectively; and for passive soil samples were 36.75±3.38, 76.79±5.53 and 607.18±83.50 Bq kg -1 , respectively. The results for both the soil samples obtained for the corresponding nuclides are slightly higher than the wo rld wide average values of 35, 30 and 400 Bq kg -1 respectively except that of Ra-226 for active soil samples. The activity contents of the water samp les did not show any evidence of enhancement due to the min ing activit ies. The average absorbed dose rate (D) a...
Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have ... more Essential and trace elements in medicinal plants of saver near the Dhaka city in Bangladesh have been measured using particle induced X-ray emission (PIXE) technique. The sample were dried, pressed to make pellet and then bombarded with accelerator proton at 3 MV Van de Graff Accelerator laboratory of Atomic Energy Centre, Dhaka, (AECD). The X-ray emitted in the irradiation were measured by Lithium Drifted Silicon Detector Si (Li). The scattering chamber with associated all other circuitry and software MAESTRO-32 has been used for data acquisition and the collected data has been analyzed using GUPIX software. A number of major and trace elements were found to be in varying concentrations in the investigated medicinal plants. The contents of K and Ca are being notably large in medicinal plants samples. No toxic elements were detected in the investigated samples. The natural plants which are used for the treatment of living beings are known as medicinal plant. More than five hundred t...
Physica E: Low-dimensional Systems and Nanostructures
Phosphorus, Sulfur, and Silicon and the Related Elements
Journal of Molecular Liquids
Journal of Biomolecular Structure and Dynamics
Nuclear Engineering and Technology
Computational and Theoretical Chemistry
The detection and measurement of radionuclides in feed coal, bottom ash and fly ash samples colle... more The detection and measurement of radionuclides in feed coal, bottom ash and fly ash samples collected from Barapukuria 2×125 MW coal-fired thermal power plant in Dinajpur district of Bangladesh, have been performed by gamma ray spectrometry technique.