مطالعه پیوندهای هیدروژنی در زنجیره های پلی آلانین در نانوساختار آلفاهلیکس با بکارگیری نظریه تابعی چگالی

اثر بربرین در تنظیم آستروسیتهای Gfap+ ناحیه هیپوکمپ موشهای صحرایی دیابتی شده با استرپتوزوتوسین

Background: Diabetes mellitus increases the risk of central nervous system (CNS) disorders such as stroke, seizures, dementia, and cognitive impairment. Berberine, a natural isoquinolne alkaloid, is reported to exhibit beneficial effect in various neurodegenerative and neuropsychiatric disorders. Moreover astrocytes are proving critical for normal CNS function, and alterations in their activity...

اثر بربرین در تنظیم آستروسیتهای Gfap+ ناحیه هیپوکمپ موشهای صحرایی دیابتی شده با استرپتوزوتوسین

Background: Diabetes mellitus increases the risk of central nervous system (CNS) disorders such as stroke, seizures, dementia, and cognitive impairment. Berberine, a natural isoquinolne alkaloid, is reported to exhibit beneficial effect in various neurodegenerative and neuropsychiatric disorders. Moreover astrocytes are proving critical for normal CNS function, and alterations in their activity...

بررسی اثر محلول بر طیف EPR ناشی از رادیکال‌های آلانین بر پایه نظریه تابعی چگالی

In this study, based on Density Functional Theory (DFT), the effect of solution on the g-tensor, hyperfine coupling constant of atoms and finally the EPR spectrum of alanine free radicals induced by ionizing radiation such as electron and gamma was investigated using implicit models such as COSMO, and explicit models such as introducing hydrogen bonds to the cluster structures. The obtained res...

مطالعه نظری بلور کلرید سدیم به کمک نظریه تابعی چگالی

محاسبه ثابت جفت‌شدگی ساختار ریز و تانسور g رادیکال‌های آلانین در دماهای مختلف بلور بر پایه نظریه تابعی چگالی

In this paper, Density Functional Theory (DFT) was utilized for the calculation of the hyperfine coupling constant and the g tensor alanine radicals at different crystal temperatures. The cluster approach was used for considering the effects of crystal environment. In the cluster approach, the careful selection of the cluster size is very important for the geometry structure of alanine and the ...

بررسی تکینگی PrBa2Cu3O7 در قالب نظریه تابعی چگالی

  In order to study some theories about nonsuperconductivity of PrBa2Cu3O7, based on the density functional theory and with APW+lo/LAPW method some calculations for PrBa2Cu3O7 (Pr123) and YBa2Cu3O7 (Y123) were performed. The LSDA+U approximation was used for Pr(4f) orbitals and the effect of changing UPr on the band structure, Pr(4f)-DOS, distribution of electrons on the planes and chains, and ...