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1,723 results on '"Mohammadi, Mohsen"'

224. Corrigendum to “Photothermic therapy with cuttlefish ink-based nanoparticles in combination with anti-OX40 mAb achieve remission of triple-negative breast cancer” [Int. Immunopharmacol. 115 (2023) 109622]

Author

Momenzadeh, Niloofar, primary, Hajian, Sobhan, additional, Shabankare, Atefe, additional, Ghavimi, Reza, additional, Kabiri-Samani, Saber, additional, Kabiri, Hamidreza, additional, Hesami-Zadeh, Khashayar, additional, Shabankareh, Azar Najafi Tireh, additional, Nazaraghay, Roghayeh, additional, Nabipour, Iraj, additional, and Mohammadi, Mohsen, additional

Published
2023
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248. Lowest electronic states of neutral and ionic LiN.

Author

Mohammadi, Mohsen Doust, Bhaskaran, Renjith, Abdullah, Hewa Y., Abdallah, Hassan H., Biskos, George, and Bhowmick, Somnath

Subjects
*HETERONUCLEAR diatomic molecules, *POTENTIAL well, *POTENTIAL energy, *CHARGE transfer, *DIPOLE moments, *EXCITED states
Abstract

We have investigated the potential energy curves (PECs) of the LiN heteronuclear diatomic molecule, including its ionic species LiN+ and LiN−, using explicitly correlated multi‐reference configuration interaction (MRCI‐F12) calculations in conjunction with the correlation consistent quintuple‐휁 basis set. The effect of core–valence correlation, scalar relativistic effects, and the size of the basis sets has been investigated. A comprehensive set of spectroscopic constants determined based on the above‐mentioned calculations are also reported for the lowest electronic states and all systems, including dissociation energies, harmonic and anharmonic vibrational frequencies, and rotational constants. Additional parameters, such as the dipole moments, equilibrium spin‐orbit constants, excitation energies, and rovibrational energy levels, are also documented. We found that the three triplet states of LiN, namely, X 3∑−, A 3Π, and 2 3∑−, exhibit substantial potential wells in the PEC diagrams, while the quintet states are repulsive in nature. The ground state of the anion also shows a deep potential well in the vicinity of its equilibrium geometry. In contrast, the ground and excited states of the cation are very loosely bound. Charge transfer properties of each of these states are also analyzed to obtain an in‐depth understanding of the interatomic interactions. We found that the core–valence correlation has a substantial effect on the calculated spectroscopic constants. [ABSTRACT FROM AUTHOR]

Published
2024
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249. Synthesis of 1,2,4-Triazol-3-Selones via a Three-Component Condensation Between Furan-2-Carbohydrazide, Potassium Selenocyanate and Aroyl Chlorides.

Author

Mohammadi, Mohsen, Mosslemin, Mohammad H., Mohebat, Razieh, and Hassanabadi, Alireza

Subjects
*POTASSIUM, *CONDENSATION, *CHLORIDES, *BIOACTIVE compounds, *ELEMENTAL analysis
Abstract

We reported a three-component, simple, one-pot, and novel method for the synthesis of 1,2,4-triazol-3-selones from the condensation of potassium selenocyanate and aroyl chlorides with furan-2-carbohydrazide at room temperature. The structures of the compounds were deduced from elemental analysis and their IR, 1H NMR, and 13C NMR spectra. This new protocol offers advantages such as mild reaction conditions, easy work-up, and high yields. This prompted us to establish a novel 1,2,4-triazole ring formation method to find promising bioactive 1,2,4-triazole compounds. They are found to have exhibit diverse pharmacological properties. [ABSTRACT FROM AUTHOR]

Published
2024
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