Zobrazeno 1 - 10
of 120
pro vyhledávání: '"Seyed Majid, Hashemianzadeh"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field m
Externí odkaz:
https://doaj.org/article/ad5d0bca379643119eab8bc1534200fa
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)
Abstract The molecularly imprinted polymers are artificial polymers that, during the synthesis, create specific sites for a definite purpose. These polymers due to their characteristics such as stability, easy of synthesis, reproducibility, reusabili
Externí odkaz:
https://doaj.org/article/11e5a722072c4919acb25e28159ec0b0
Autor:
Maryam Farajpour Mojdehi, Seyed Faridedin Rafie, Nidal Abu-Zahra, Omid Saghatchian, Zahra Shams Ghamsari, Fatemeh Mahmoudi, Hani Sayahi, Seyed Majid Hashemianzadeh
Publikováno v:
Results in Engineering, Vol 21, Iss , Pp 102020- (2024)
This study investigated the adsorption of Diazinon on α and β-Cyclodextrins (CDs) through Molecular Dynamics Simulations. The entrance point variation in diazinon adsorption is analyzed, revealing distinct preferences for entry into α and β-CDs.
Externí odkaz:
https://doaj.org/article/bd9b85c70f0649d58f82c148f97a2aeb
Autor:
Behnam Behrooz, Amirhossein Kordbacheh, Seyed Majid Hashemianzadeh, Mehran Minbashi, Mahboobeh Zahedifar
Publikováno v:
Progress in Physics of Applied Materials, Vol 3, Iss 1, Pp 73-81 (2023)
Graphyne is of great interest to researchers due to its unique electronic and mechanical properties, which make it a potentially valuable material for a wide range of applications. The importance of graphyne lies in its potential to enable new techno
Externí odkaz:
https://doaj.org/article/a1b9a4ff0e1a4defb2e2eca3f9200cb3
Publikováno v:
Heliyon, Vol 9, Iss 7, Pp e17953- (2023)
The molecularly imprinted polymer (MIP) is useful for measuring the amount of riboflavin (vitamin B2), in various samples using UV/Vis instruments. The practical optimization of the MIP synthesis conditions has a number of drawbacks, like the need to
Externí odkaz:
https://doaj.org/article/be5d0fe55fb8403dbf873dfe50b154ba
Publikováno v:
شیمی کاربردی روز, Vol 17, Iss 64, Pp 9-26 (2022)
In this work, the ability to selectively separate CO2 from N2 with a similar composition of flue gas by graphtriyne three-layer membrane was studied using molecular dynamics simulation. For this purpose, two sets of NVT and NPT ensembles were used. I
Externí odkaz:
https://doaj.org/article/cdfbcb59b99f43e9ad89f097b3204d5a
Publikováno v:
Materials Research Express, Vol 9, Iss 9, p 095302 (2022)
In this work, a new smart copolymer of poly(N-isopropylacrylamide)- b -polyacrylamide- b -poly(N-isopropylacrylamide) (PNIPAm- b -PAM- b -PNIPAm) was designed as an efficient thermo-sensitive polymer with a potential for formation a physical network
Externí odkaz:
https://doaj.org/article/fbf7194eb8b046ddabfb7b794fc0c385
Publikováno v:
Advanced Pharmaceutical Bulletin, Vol 8, Iss 1, Pp 163-167 (2018)
Purpose: Drug delivery has a critical role in the treatment of cancer, in particular, carbon nanotubes for their potential use in various biomedical devices and therapies. From many other materials which could be more biocompatible and biodegradable
Externí odkaz:
https://doaj.org/article/be5af8c53df94166bd45826465f2e286
Publikováno v:
Materials Research Express, Vol 8, Iss 6, p 065009 (2021)
In order to investigate the effect of ligands structure, and temperature on the solubility of the smallest crystallographic gold nanoparticle, Au _18 S _14 , quantum mechanical calculations, and molecular dynamics simulations have been performed. Lig
Externí odkaz:
https://doaj.org/article/7a0cc0087528428db1d73d69a43050d1
Publikováno v:
Materials Research Express, Vol 8, Iss 10, p 105301 (2021)
In this study, the impact of chemical and physical characteristics of poly(N-isopropylacrylamide) (PNIPAm) in water on its thermoresponsive behavior and aggregation was investigated via all-atom and mesoscopic simulations. The calculated dimensional
Externí odkaz:
https://doaj.org/article/f66071454e28462db6619df713eb2fcd