28 اردیبهشت 1403
قدرت محمودي

قدرت محمودی

مرتبه علمی: دانشیار
نشانی: آذربایجان شرقی، مراغه، میدان مادر، بلوار دانشگاه، دانشگاه مراغه - دانشکده علوم پایه - گروه شیمی معدنی
تحصیلات: دکترای تخصصی / شیمی معدنی
تلفن:
دانشکده: دانشکده علوم پایه

مشخصات پژوهش

عنوان
Syntheses, crystal structures, theoretical studies, and anticancer properties of an unsymmetrical schiff base ligand N-2-(6-methylpyridyl)-2-hydroxy-1-naphthaldimine and its Ni(II) complex
نوع پژوهش مقاله چاپ شده
کلیدواژه‌ها
Schiff baseHydrogen bondSupramolecular architectureHirshfeld surfaceDFTAnticancer
سال
2022
مجله Journal of Molecular Structure
شناسه DOI 10.1016/j.molstruc.2022.133717
پژوهشگران تیرثا باتاچشقجی ، سومان ادهیکاری ، افضل حسین شیخ ، قدرت محمودی ، سیکسبرس ملوی ، مثیو آکرمن ، نورعالم چودهاری ، سوراجیت چاکربورتی ، ریموند بوچر ، آلن کندی ، بورجو سایقیدیر ، آیلین اورس ، یاسمین سایقیدیر

چکیده

In this work, syntheses of Schiff-base ligand, N-2-(6-methylpyridyl)-2-hydroxy-1-naphthaldimine (1) and its hitherto unknown chelate with a Ni(II) salt, bis[N-2-(6-methylpyridyl)-2-oxo-1-naphthaldimnato-k3N^N^O] nickel(II) (2) have been reported and characterized by spectral techniques (IR, 1H NMR, Mass). Solid state structures and non-covalent interactions persisting in 1 and 2 are studied by Density Functional Theory (DFT) optimizations and Hirshfeld Surface (HS) analysis. X-ray diffraction (XRD) study shows zwitter ionic keto-amine tautomer form of planar Schiff base 1 that exists as dimer formed by C13 ̶ H13A···O1i [(i) -x+1, -y, -z+1] hydrogen bonds and distorted octahedral geometry around Ni+2 center in chelate 2, where overall crystal structure stability may be attributed to weak C ̶ H···π, π···π stacking, van der Waals interactions, and C ̶ H···O type intermolecular hydrogen bonds. The HS study and 2D Finger Print (FP) plots corroborate well with XRD data and show prominent O···H/H···O spikes (2.2 Å < de+di < 2.3 Å) and C···H/H···C (2.5 Å < de+di < 2.6 Å) spikes that arise from C ̶ H···O type H-bonds and C ̶ H···π interactions respectively, along with significant C···C interactions (de+di ∼ 3.3 Å) due to π···π stacking (2). The anticancer activity has been investigated by using cytotoxicity measure (MTT assay), apoptosis assay, quantitative polymerase chain reaction (qPCR), and colony formation assays. The Ni(II) metal complex demonstrates dose-dependent cytotoxicity in vitro, killing A549 lung cancer cells via an apoptotic pathway.