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LANGMUIR · 2025 · IF 3.9

Formation of 2D Halogen Bond-Based Supramolecular Assemblies by 1,3,5-Trifluoro-2,4,6-triiodobenzene and 4,4’-Bipyridine N,N’-Dioxide on HOPG Surface

Ke-Xin Zhang,Ye Hong,Lu Wang,Ting Chen,Dong Wang

Halogen bonding interactions are crucial in the design of 2D supramolecular assemblies. In this study, we introduce the N-oxide moiety as a halogen-bonding acceptor for the formation of 2D coassemblies. The monomers 4,4’-bipyridine N,N’-dioxide (BPYD) and 1,3,5-trifluoro-2,4,6-triiodobenzene (1,3,5-TFTIB) coassemble into well-ordered, close-packed nanoarchitectures on HOPG surfaces. BPYD forms both halogen and hydrogen bonds with 1,3,5-TFTIB, resulting in pentameric structural units. At high concentrations, these units pack into dense ordered structures. When octanoic or nonanoic acid is used as a solvent, the formation of a 3-component linear structure with the interdigitated solvent molecules between the linear-arranged pentameric units is observed at low concentrations of reactants.

CAS / MDL: 109-52-4 111-14-8
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Foods · 2025 ·Vol. 14 ·期 21 ·3781 · IF 5.1

Comprehensive Investigation of Grade-Specific Aroma Signatures in Nongxiangxing Baijiu Using Flavoromics Approaches

Yangyang Sun,Heyun Zhang,Huan Zhang,Jihong Huang,Liping Du,Juan Wang

At present, the classification of nongxiangxing baijiu (NXB) predominantly relies on the subjective expertise of distillers and tasters, in the absence of scientifically standardized criteria. This reliance poses challenges for achieving precise classification. Consequently, there is an urgent need to employ flavoromics technology to identify the key characteristic aroma compounds that distinguish different grades of NXB. This study uses sensory evaluation, an electronic nose, and three-dimensional fluorescence spectroscopy to determine the significant differences in aroma profiles among different grades of NXB. Further, 112 compounds were identified by GC-MS, and quantitative analysis was conducted on 33 major volatile compounds. Using odor activity value (OAV) analysis, it found 21, 23, and 26 key aroma compounds (OAV ≥ 1) in Grade 2 (G2), Grade 1 (G1), and prime-grade (GP), respectively. Aroma recombination successfully simulated the aroma distribution of different grades of NXB, and omission experiments identified 11 key aroma compounds as the foundation for NXB. Additionally, each grade exhibited a unique profile of key compounds. G2 was characterized by the presence of octanoic acid, which imparts sweaty and cheesy aromas. G1 contained benzoic acid ethyl ester, phenethyl acetate, pentanoic acid, 2-methyl-1-propanol, and furfural, contributing to sweet, floral, sweaty/cheesy, alcoholic, and roasted aromas. GP demonstrated higher concentrations of aroma compounds compared to G1 and G2, with distinctive compounds such as decanoic acid ethyl ester, dodecanoic acid ethyl ester, 3-methyl-1-butanol, and 1-hexanol, which are associated with sweaty/cheesy, fruity, and alcoholic aromas. This study elucidated the role of these compounds in determining the flavor profiles of various NXB grades, thereby providing a theoretical foundation for the quality grading of NXB.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2025 · IF 6.2

Novel Immobilized Enzyme System Using Hydrophobic Dendritic Mesoporous Silica Nanospheres for Efficient Flavor Ester Production

Run Liu,Qi Zhou,Yi Zhang,Yuanzhi Xu,Zhonghui Liu,Kheng-Lim Goh,Vladimir Zivkovic,Mingming Zheng

Enzymatic synthesis of flavor esters is widely used in the food and flavor industries, but challenges remain in improving the catalytic efficiency and stability of biocatalysts. This study evaluates the performance of a novel biocatalyst, CALB@DMSN-C8, formed by immobilizing Candida antarctica lipase B (CALB) on hydrophobic dendritic mesoporous silica nanospheres (DMSN-C8), for synthesizing flavor esters. The CALB@DMSN-C8 catalyst achieves a caproic acid conversion rate of 98.5 ± 0.5% in just 30 min and demonstrates outstanding thermal stability, retaining a high conversion efficiency over 20 reuse cycles. To our knowledge, this study represents the most efficient synthesis of flavor esters, including ethyl valerate, ethyl caproate, ethyl heptanoate, and ethyl caprylate, compared to studies in the existing literature. Analysis of aroma characteristics and molecular docking simulations revealed the typical flavor profiles and synthesis mechanisms of various mellow esters. This study develops an innovative strategy by using self-made immobilized lipases to catalyze the production of flavor esters with potential applications in food and cosmetics.

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ACS Earth and Space Chemistry · 2025 · IF 2.9

Radionuclides Binding to Organic Components at the Marine Aerosol Surface

Yaru Song,Minglan Xu,Jianlong Li,Narcisse Tsona Tchinda,Kun Li,Lin Du

Atmospheric release of nuclear wastewater results in the introduction of radionuclides into seawater. These radionuclides can be transported back to the atmosphere by interacting with organic matter at the surface of marine aerosol. Organic molecules, such as organic acids (OAs) and alcohols, the primary components of the organic coating on marine aerosol, play a crucial role in this process. However, the discriminated mechanisms of the interactions of these OAs and organic alcohols at the marine aerosol surface urgently need to be explored. This study uses a Langmuir trough to mimic the marine aerosol surface and investigates the interactions of several OAs (formic acid, hexanoic acid, heptanoic acid, octanoic acid, and nonanoic acid) and dodecanol at seawater-relevant ratios. It was found that upon their addition, metal ions (Ba2+, Co2+, Mn2+, Cs+, Sb3+, Sr2+, Rh3+, Ru3+, and La3+) acting as proxies of radionuclides effectively interacted with the carboxyl headgroups of OAs, which was manifested as a significant increase in the carboxylate asymmetric stretch. This asymmetric stretching vibration is significantly increased with the metal ion concentration and enrichment. Furthermore, the apparent surface binding affinity of metal ions with hexanoic acid is significantly higher than that with nonanoic acid, by a factor of ∼1.95. These findings are significant for understanding how metal ion enrichment at the air-sea interface influences the behavior and fate of radionuclides in the marine atmosphere. Additionally, this study provides new insights into the complex interactions between organic compounds and metal ions, offering valuable perspectives and methodologies for advancing research in marine chemistry and environmental science.

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MOLECULES · 2025 ·Vol. 30 ·期 7 ·1599 · IF 4.6

Iridium-Catalyzed Hydrocarboxylation of Olefins with CO2 and H2

Yang Li,Ying Wang,Longbo Zhang,Yanru Zhang,Jia Guo,Yanyan Wang,Chenglong Yu,Jun He,Zhenpeng Wang,Juanjuan Han,Qian Li,Tianbin Wu,Qingli Qian,Buxing Han

CO2is a greenhouse gas and a nontoxic, easily available and renewable C1feedstock. H2is a clean and cheap reductant that can be obtained from renewable energy. Olefins are platform chemicals that can be produced from a variety of raw materials such as petroleum, coal and renewable biomass. The production of carboxylic acids by combining olefins, CO2and H2is a sustainable and very promising protocol. However, only a few advances in this topic have been achieved because novel catalysts need to be developed. In this work, we demonstrate that a simple iridium-based catalyst could efficiently promote the synthesis of C2+carboxylic acids via the reaction of olefins with CO2and H2. The reaction was effectively accelerated by a simple iridium-based catalytic system at 170 °C, which may be applied to various olefin substrates. The catalytic mechanism was studied through a series of control experiments. The findings contribute to advancing the sustainable production of valuable products by the reaction of renewable CO2and green H2with platform chemicals.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY · 2025 · IF 3.2

Comparative analysis of organic acids and volatile organic compounds of ginseng vinegars fermented by Acetobacter ghanensis and Acetobacter pasteurianus

Li Dan,Wu Xue,Li Yujia,Duan Cuicui,Ma Fumin,Li Xiaolei

To develop a ginseng vinegar in a short production time, the liquid fermentation of 9 days was carried out with the bacteria Acetobacter pasteurianus and Acetobacter ghanensis and the carbon source ethanol. The ginseng vinegar fermented with A. pasteurianus (AAB-hn) exhibited higher total flavonoid and polyphenol contents than ginseng vinegar fermented by A. ghanensis (AAB-jc), which reached 265.51 mg/L and 26.21 mg/L, respectively. 8 organic acids including oxalic acid, tartaric acid, malic acid, lactic acid, acetic acid, citric acid, succinic acid and fumaric acid were quantified by HPLC. Acetic acid was found to be the predominant organic acid in both samples. 108 volatile organic compounds (VOCs) were identified by GC-MS and GC-IMS. 28 differentially metabolites(VIP>1)including esters and acids were screened by OPLS-DA analysis. 10 key-VOCs were further confirmed by GC-O and odor activity values (OAVs ≥ 1). Nonanal, 2-methoxy-4-vinylphenol, and 2(3H)-furanone, dihydro-5-pentyl- were aroma factors unique to the two ginseng vinegars. Linalool and 1-octen-3-ol with floral and mushroom aromas were only detected in the AAB-hn, while α-terpineol and β-damascenone with anise and rose-like aromas were only discovered in the AAB-jc. E-nose and principal component analysis (PCA) can effectively differentiate different samples. AAB-jc had the highest overall score of 82.83 in the sensory evaluation. This study provided key insights into optimizing ginseng vinegar production by exploiting strain-specific metabolic capabilities for the development of functional vinegars with tailored health benefits and sensory profiles. Graphical abstract

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