This study describes the identification of six allyl esters in a garlic cheese preparation and in a commercial cream cheese. The extracts were prepared by liquid/liquid extraction and concentrated by the SAFE process. The identification of the allyl esters of acetic, butyric, hexanoic, heptanoic, octanoic, and decanoic acids is based on the correlation of their mass spectrometric data and chromatographic retention time data obtained from the extracts with those of authentic standards. In addition to the gas chromatography (GC)/mass spectrometry analysis, the flavor ingredients were characterized by GC sniffing by a trained flavorist. Some of the esters were isolated by preparative GC.
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http://dx.doi.org/10.1021/jf0713096 | DOI Listing |
J Chem Inf Model
January 2025
Department of Computer Science and Engineering, and Key Laboratory of Shanghai Education Commission for Intelligent Interaction and Cognitive Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China.
Despite remarkable advancements in the organic synthesis field facilitated by the use of machine learning (ML) techniques, the prediction of reaction outcomes, including yield estimation, catalyst optimization, and mechanism identification, continues to pose a significant challenge. This challenge arises primarily from the lack of appropriate descriptors capable of retaining crucial molecular information for accurate prediction while also ensuring computational efficiency. This study presents a successful application of ML for predicting the performance of Ir-catalyzed allylic substitution reactions.
View Article and Find Full Text PDFMolecules
December 2024
Department of Forensic Medicine, Wroclaw Medical University, 4 J. Mikulicza-Radeckiego Street, 50-345 Wroclaw, Poland.
Eur J Med Chem
February 2025
Departamento de Química Orgánica, Facultad de Ciencias Químicas, Plaza de las Ciencias s/n, Universidad Complutense de Madrid, E-28040, Madrid, Spain. Electronic address:
Honokiol is a natural product with an interesting array of biological effects, including significant anti-tumor properties. However, full exploration of its therapeutic potential is hampered by its modest pharmacokinetic profile and by the lack of synthetic methods that allow to obtain specifically designed derivatives with improved properties. In addition, the specific molecular targets of honokiol remain poorly understood, a fact that limits the search of alternative hits for subsequent optimization programs.
View Article and Find Full Text PDFCommun Chem
November 2024
Department of Chemistry, Gwangju Institute of Science and Technology, Gwangju, Republic of Korea.
Alteration of a well-established reaction mechanism for access to different molecular structures is an inherently intriguing research subject. In that context, syn-stereospecific alkene dihalogenation draws attention as a long-standing problem in synthetic organic chemistry. The simplest approach would be the incorporation of an additional stereo-inverting step within the traditional anti-dihalogenation process.
View Article and Find Full Text PDFFood Sci Nutr
September 2024
Department of Pharmaceutical Botany, Faculty of Pharmacy Atatürk University Erzurum Turkey.
Garlic (Alliaceae), an annual herb, is renowned not only for its distinctive flavor but also for its extensive therapeutic applications in managing various ailments and health conditions. In this study, garlic products identified as the best-selling items in Turkish pharmacies for various purposes were compared with garlic grown under standard conditions in terms of chemical composition and antidiabetic, anticholinesterase, antimicrobial, and antioxidant properties. Three of garlic samples were prepared by researchers.
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