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Analyzing excited-state processes and optical signatures of a ratiomeric fluorine anion sensor: a quantum look

Science China Chemistry 2014年第10期57卷 1363-1368页

作者： LAURENT Adèle D. JACQUEMIN Denis ceisam UMR CNRS 6230 BP 92208 Universitè de Nantes 2 Rue de la Houssinière44322 Nantes Cedex 3 France Institut Universitaire de France 103 bd St Michel75005 Paris Cedex 5 France

Recently, the spectroscopic signatures of a benzoselenadiazole derivative have been investigated in the framework of designing a new ratiometric fluoride sensor(Saravanan et al., Org Lett, 2014, 16: 354–357). It was suggested that this sensor is undergoing excited-state intramolecular proton transfer. In this work, we provide a new look at these experimental data, using a state-of-the-art time-dependent density functional theory approach to mimic the spectroscopic signatures. New insights about the nature of the excited-state processes are obtained.

关键词：激发态分子内质子转移离子传感器氟化物光学特征量子光谱特征时间依赖性实验数据

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A fully bio-sourced adsorbent of heavy metals in water fabricated by immobilization of quinine on cellulose paper

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Journal of Environmental Sciences 2019年第10期31卷 174-183页

作者： Ehu C.Aka Medy C.Nongbe Tchirioua Ekou Lynda Ekou Vincent Coeffard Francois-Xavier Felpin Universite de Nantes CNRS UMR 6230CEISAM2 rue de la Houssinière44322 Nantes Cedex 3France Universite Nangui Abrogoua Laboratoire de Thermodynamique et de Physico-Chimie du Milieu02 BP 801 Abidjan 02Cote d'lvoire

The fabrication of a fully bio-sourced adsorbent of Cd(Ⅱ)by covalent immobilization of quinine on cellulose paper is *** double bond of commercially available quinine was converted to a terminal alkyne function which was reacted with cellulose paper,chemically modified with azide functions,through a 1,3-dipolar cycloaddition,leading to *** adsorption efficiency of Cell-Quin was investigated to determine the optimal pH,contact time and dose of adsorbent,ultimately leading to high levels of *** mechanism of adsorption of Cell-Quin was deeply rationalized through kinetic experiments and isotherm *** also showed that Cell-Quin could adsorb other heavy metals such as Cu(Ⅱ),Pb(Ⅱ),Ni(Ⅱ)and Zn(Ⅱ).

关键词： Cellulose paper Quinine Heavy metal removal Adsorbent

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Quantitative Measurement of the Chemical Composition of Fatty Acid of Cocoa Butter and the Isotopic Content of Glycerol Contained in Cocoa Butter by the NMR ¹³C from the INEPT Sequence and Characterization of the Geographical Origin of the Cocoa

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American Journal of Analytical Chemistry 2022年第3期13卷 79-95页

作者： Didier Diomandé Tiemoko Touré Dro Jacques Sagne Akpa Silvestre Virginie Illa Tea Gérald S. Remaud Laboratoire de Constitution et Réaction de la Matière de l’Université Félix Houphouë t-Boigny Abidjan C&ocirc te d’Ivoire Chimie et Interdisciplinarité Synthèse Analyse Modélisation (CEISAM) Nantes France Laboratoire des Sciences de la Matière de l’Environnement et de l’énergie Solaire Université Félix Houphou&euml t-Boigny Abidjan C&ocirc te d’Ivoire

The determination of the chemical composition of cocoa butter and the isotopic contents of the carbons (C-2, C-1 and C-3) of the glycerol contained in the cocoa butter were measured by the NMR-13C from the INEPT sequence. This technique has already been applied to triglycerides of animal origin. Thus, cocoa butter is made up of nearly 66% saturated fatty acid composed mainly of stearic acid and palmitic acid. Monounsaturated fatty acids represented by oleic acid have an average content of 31% and polyunsaturated fatty acids represent less than 4%. Likewise, the isotopic contents of the glycerol of the triglycerides of cocoa butter in 13C of the carbons C-2, C-1 and C-3 were measured directly and values vary from -11‰ to -19‰ for the C-2 and from -39‰ to -41‰ for all C-1 and C-3 because of the symmetry of glycerol.

关键词： Chemical Composition Cocoa Butter INEPT Isotopic Content

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Anticancer Activities and QSAR Study of Novel Agents with a Chemical Profile of Benzimidazolyl-Retrochalcone

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Open Journal of Medicinal Chemistry 2020年第3期10卷 113-127页

作者： Ouattara Mahama Koné Aboudramane Koné Soleymane Collet Sylvain Diomandé Sekou Sissouma Drissa Department of Therapeutic Chemistry and Organic Chemistry UFR SPB FHB University Abidjan C&#244 te d’Ivoire Department of Chemistry UFR Environment Jean LorougnonGuédé University Daloa C&#244 te d’Ivoire Laboratory of Organic Chemistry and Natural Substances UFR SSMT FHB University Abidjan C&#244 te d’Ivoire Chemistry and Interdisciplinarity: Synthesis Analysis Modelling (CEISAM) University of Nantes Nantes France

The present pharmacochemical and modelling work focused on a benzimidazolyl-chalcone series. These previously synthesized compounds were evaluated in vitro for their anticancer activities against a panel of seven human cancer cell lines and normal fibroblasts. Among the new benzimidazole-supported chalcones, nine (9) compounds (compounds 1 - 4, 6 - 8 and compounds 10 and 11) showed promising anticancer activities with IC50s ranging from 0.83 to 2.58 μM. Compounds 2 and 6 with IC50s of 0.83 and 0.86 μM, respectively, were shown to be potent inhibitors of HCT-116 colon cancer cell proliferation. It was therefore necessary, for a development of this new series of chalcones, to establish through a QSAR study, their quantum descriptors according to the DFT calculation method and following the B3LYP/6-31+G (d,p) theory. These descriptive and predictive studies focused on the colon HCT 116 cell line which was found to be more sensitive to the anticancer action of our benzimidazolyl-retrochalcones. QSAR study showed that the electronic energy (Eelec), lipophilicity (logP), chemical softness (S) and chemical hardness (η) of benzimidazolyl-retrochalcones play an important role in inhibiting cancer cell proliferation.

关键词： Retrochalcone Benzimidazole Anticancer Agents QSAR Quantum Descriptors DFT Method

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Use of the 13C/12C, 15N/14N and 18O/16O Isotopic Ratios of Theobromine and Caffeine in the Characterization of Geographic Origin

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American Journal of Analytical Chemistry 2021年第4期12卷 87-95页

作者： Didier Diomandé Adjon Kouassi Jacques Sagne Akpa Ingrid Antheaume Maë l Leroux Illa Tea Gérald S. Remaud Laboratoire de Constitution et Réaction de la Matière (LCRM) UFR SSMT Université Félix Houphou&euml t Boigny Abidjan C&ocirc te d’Ivoire Elucidation of Biosynthesis by Isotopic Spectrometry (EBSI) Group CEISAM University of Nantes-CNRS UMR6230 Nantes France Laboratory of Environmental Sciences and Technology (LSTE) Jean Lorougnon Guédé University Daloa C&ocirc te d’Ivoire

The aim of this work is to characterize the geographical origin of cocoa beans and coffee beans. This study aims to contribute to the traceability of raw materials in order to fight against falsification. For this purpose, we based our work on the measurement of isotope ratios in 13C, 15N and 18O. The multi-element isotope ratios have been evaluated as a means to distinguish fermented cocoa beans of different geographic and varietal origins. The isotopic ratios of 13C, 15N and 18O were measured in theobromine obtained from samples of fermented cocoa beans. Twenty-two (22) samples of different geographical origins covering the four mainland cocoa producing areas were analyzed on the one hand and on the other hand, 16 caffeine samples from various origins were also analyzed. The treatment of the values resulting from these isotopic analyzes by statistical methods, namely the principal component analysis (PCA) makes it possible to visualize the discriminations between the different origins. The most discriminating variables identified as responsible for the geographic and varietal differences were the δ15N, δ13C and δ18O values of cocoa beans and certain extracts and tissues. We have shown that the isotope ratios are correlated with the altitude and precipitation conditions encountered in the different cocoa growing regions.

关键词： Cocoa Beans Traceability Isotopic Analyzes Theobromine Caffeine

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