مطالعه اثرات جذب زیست نشانگرهای بوتانون و پروپانال و پیریدین بر روی خواص الکترونی نانونوار آرمچر گرافن جهت تشخیص زود هنگام سرطان معده

عزیزی مشیرآباد, فاطمه; فیض آبادی, ادریس

doi:10.22055/jrmbs.2026.20898

مطالعه اثرات جذب زیست نشانگرهای بوتانون و پروپانال و پیریدین بر روی خواص الکترونی نانونوار آرمچر گرافن جهت تشخیص زود هنگام سرطان معده

نوع مقاله : مقاله پژوهشی کامل

نویسندگان

فاطمه عزیزی مشیرآباد

ادریس فیض آبادی

دانشکده فیزیک، دانشگاه علم و صنعت ایران، تهران، ایران

10.22055/jrmbs.2026.20898

چکیده

در این پژوهش، خواص جذب و پاسخ الکترونی نانونوارهای آرمچر گرافن به‌عنوان بستر حسگری برای شناسایی سه ترکیب آلی فرار بوتانون (C₄H₈O)، پیریدین(C₅H₅N) و پروپانال (C₃H₆O) به عنوان نشانگرهای زیستی کلیدی سرطان معده با استفاده از نظریه تابعی چگالی و در نظر گرفتن برهم‌کنش‌های واندروالسی، مورد بررسی قرار گرفته است. نتایج نشان می‌دهد که نانونوارهای آرمچر گرافن این ترکیبات آلی فرار را به صورت ضعیف جذب می‌کنند، با انرژی‌های جذب در محدوده ۳/۰- تا ۵/۰- الکترون‌ولت، که بیانگر فرآیند جذب فیزیکی بدون تشکیل پیوند شیمیایی مستقیم است. همچنین بررسی چگالی حالات نشان می‌دهد که جذب هریک از مولکول‌ها موجب ایجاد قله‌های متفاوتی در نمودار چگالی حالات نانونوار آرمچر گرافن می‌شود. بنابراین نانونوار آرمچر گرافن می‌تواند به‌عنوان بستری بالقوه برای حسگری گازی زیست‌نشانگرهای مرتبط با سرطان معده در روش‌های تشخیصی غیرتهاجمی مورد توجه قرار گیرد.

کلیدواژه‌ها

نانونوار آرمچرگرافن

ترکیبات آلی فرار

سرطان معده

نظریه تابعی چگالی

چگالی حالات (DOS)

حسگر گاز

موضوعات

ماده چگال

عنوان مقاله English

Study of the adsorption effects of butanone, propanal, and pyridine biomarkers on the electronic properties of graphene armchair nanoribbons for the early detection of Gastric Cancer

نویسندگان English

Fatemeh Azizi Moshirabad

Edris Faizabadi

School of Physics, Iran University of Science and Technology, Tehran, Iran

چکیده English

In this study, the adsorption properties and electronic response of armchair graphene nanoribbons, as a sensing substrate for detecting three volatile organic compounds 2-butanone (C₄H₈O), pyridine (C₅H₅N), and propanal (C₃H₆O) as key biomarkers of gastric cancer, were investigated using density functional theory while taking van der Waals interactions into account. The results show that armchair graphene nanoribbons adsorb these volatile organic compounds weakly, with adsorption energies in the range of −0.3 to −0.5 eV, indicating a physisorption process without the formation of direct chemical bonds. In addition, the density-of-states analysis shows that the adsorption of each molecule leads to the appearance of distinct peaks in the density-of-states plot of the armchair graphene nanoribbon. Therefore, the armchair graphene nanoribbon can be considered a potential substrate for gas sensing of gastric-cancer-related biomarkers in non-invasive diagnostic methods.

کلیدواژه‌ها English

Graphene

Volatile Organic Compounds

Gastric Cancer

Density Functional Theory

Gas Sensor

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