CSDL Bài trích Báo - Tạp chí
chủ đề: Pharmaceutical chemistry
1 Photoprotective activity of natural antioxidant coumarins / Nguyen Thi Le Anh, Le Tran Minh Khue // .- 2025 .- Số 05(72) .- P. 68-78 .- 615
The antioxidant and UV-filter activities of five coumarins are investigated by computational approach, using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT), in combination with M05-2X and cc-pVTZ basis sets. The optimized geometries, electronic structures, and intrinsic thermochemical properties of coumarins are first studied in the gas phase as well as in solvents (pentylethanoate and water).
2 13C chemical shift predictions for bakuchiol‒a recently discovered agent against organ damage = Tính toán độ dịch chuyển hóa học 13C của bakuchiol‒tác nhân mới điều trị tổn thương các cơ quan / Nguyen Thi Nhu Y, Nguyen Trong Thien // .- 2021 .- Số 02(45) .- P. 58-64 .- 615
Aimed to find suitable methods with high accuracy, this present study evaluated 11 DFT functionals and 11 common basis sets in the calculations of 13C chemical shifts for bakuchiol.
3 Chemical composition of the essential oil from Nelumbo nucifera Gaertn. petals growing wild in Quang Nam province (former), Vietnam = Thành phần hóa học của cánh hoa sen (Nelumbo nucifera Gaertn.) mọc hoang dại ở Quảng Nam (cũ), Việt Nam / Tran Thi Diem Thuy, Thieu Anh Tai, Prabodh Satyal, Nguyen Huy Hung // Khoa học & Công nghệ Đại học Duy Tân .- 2025 .- No. 5(72) .- P. 42-48 .- 540
Lotus petals (Nelumbo nucifera Gaertn.) were subjected to hydrodistillation to extract the essential oil, which was subsequently analyzed for its chemical composition using gas chromatography-mass spectrometry (GC-MS). The essential oil was dominated by aliphatic hydrocarbon compounds and their derivatives, such as tricosane (31.5%), pentacosane (19.4%), heneicosane (13.0%), heptacosane (10.8%), and palmitic acid (10.0%).