From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 127834 10.52957/2782-1900-2026-7-2-102-111 Научные статьи Scientific articles Научные статьи Lanthanum(III) with gabapentin coordination compound: method of preparation and therapeutic potential Lanthanum(III) with gabapentin coordination compound: method of preparation and therapeutic potential Шубина Анна Александровна Shubina Anna Alexandrovna annashubina100@gmail.com Орлова Татьяна Николаевна Orlova Tatyana Nikolaevna orl@bio.uniyar.ac.ru

кандидат химических наук;

candidate of chemical sciences;

 Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation 10 07 2026 10 07 2026 7 2 102 111 26 03 2026 12 05 2026 https://chemintech.ru/en/nauka/article/127834/view

The research examines the coordination of lanthanum(III) compound with 8 oxyquinoline. The article analyses the synthesis method resulted in the formation of a yellow fine-crystalline precipitate. The structure and nature of ligand coordination with the metal ion were confirmed by physicochemical methods (electron and vibrational spectroscopy) and semi-empirical quantum chemical calculations (MOPAC//PM7). Electronic spectroscopy records a significant bathochromic shift (Δλ=72 nm). It indicates the formation of a stable complex. The research reveals the dependence of the complex stability on the pH of the medium, and identifies the its optimal pH range of 7.0–8.0. The theoretical part of the research includes quantum chemical modeling to evaluate the redistribution of electron density, and visualise the optimised geometry of the molecule. Moreover, computer analysis of biological activity and pharmacokinetic parameters (ADME-Tox) indicates the potential value of the synthesized complex as a compound with a modified and improved biological activity profile.

The research examines the coordination of lanthanum(III) compound with 8 oxyquinoline. The article analyses the synthesis method resulted in the formation of a yellow fine-crystalline precipitate. The structure and nature of ligand coordination with the metal ion were confirmed by physicochemical methods (electron and vibrational spectroscopy) and semi-empirical quantum chemical calculations (MOPAC//PM7). Electronic spectroscopy records a significant bathochromic shift (Δλ=72 nm). It indicates the formation of a stable complex. The research reveals the dependence of the complex stability on the pH of the medium, and identifies the its optimal pH range of 7.0–8.0. The theoretical part of the research includes quantum chemical modeling to evaluate the redistribution of electron density, and visualise the optimised geometry of the molecule. Moreover, computer analysis of biological activity and pharmacokinetic parameters (ADME-Tox) indicates the potential value of the synthesized complex as a compound with a modified and improved biological activity profile.

 gabapentin IR spectroscopy electronic spectroscopy lanthanum coordination number complex stability PASS-online antitumor activity.

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