Article
Chemistry, Multidisciplinary
Odeh A. O. Alshammari, Ghazi A. A. Almulgabsagher, Karl S. Ryder, Andrew P. Abbott
Summary: The study found that solutes capable of forming hydrogen bonds are more easily extracted into DESs from cyclohexane. For less polar solutes, the choice of DES has a more significant impact on extraction efficiency. However, for polar solutes, the influence of DES is less pronounced.
Article
Agriculture, Multidisciplinary
Gulay Ozkan
Summary: This study used natural deep eutectic solvents (NADES) coupled with ultrasound-assisted extraction to recover bioactive compounds from artichoke outer petals. The results showed that the use of choline chloride and lactic acid mixtures was superior in terms of obtaining extracts with high levels of phenolic compounds and antioxidant potential. The study highlights the potential of NADES combined with ultrasonication for the extraction of bioactive compounds from various plants and their incorporation into food and pharmaceutical formulations.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2023)
Article
Food Science & Technology
Paula Virginia de Almeida Pontes, Aline Czaikoski, Naara Aparecida Almeida, Sara Fraga, Liliana de Oliveira Rocha, Rosiane Lopes Cunha, Guilherme Jose Maximo, Eduardo Augusto Caldas Batista
Summary: This study evaluated the extraction of phenolic compounds from olive pomace using deep eutectic solvents (DES) and compared the total phenolic content and antioxidant activity of DES extracts with ethanol extracts. The results showed that DES extracts had superior antibacterial activity and oxidative stability compared to ethanol extracts, suggesting that DES could be a potential solvent for phenolic compound extraction with technological benefits.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Physics, Applied
Rachel K. Luu, Marcin Wysokowski, Markus J. Buehler
Summary: This paper presents a series of deep learning models for solving complex forward and inverse design problems in molecular modeling and design. By using diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, a flexible framework to capture complex chemical structures is demonstrated. These models are trained on the QM9 dataset and then generalized to study and design key properties of deep eutectic solvents (DESs). The integrated fully prompt-based multi-task generative pretrained transformer model has the best performance and allows for flexible integration of multiple objectives, suggesting emerging synergies during training.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Heng Lu, Xiaohong Tan, Guobin Huang, Shaoru Wu, Yanmei Zhou, Junying Zhang, Qiaowen Zheng, Tianju Chen, Feiming Li, Zhixiong Cai, Jingbin Zeng, Maosheng Zhang
Summary: A method for the synthesis of CsPbBr3 PNCs using natural deep eutectic solvents as solvents and surface ligands has been developed. This method improves the optical properties and stability of the nanocrystals.
Editorial Material
Chemistry, Physical
Andrew P. Abbott, Karen J. Edler, Alister J. Page
Summary: When selecting a solvent for a given solute, the commonly used idiom "like dissolves like" suggests using polar solvents for polar solutes. However, in deep eutectic solvents (DES), the components can be of various types, allowing for the solubilization of a wide range of solutes and the control of phase behavior through mixture design.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Multidisciplinary Sciences
Yongzhuang Liu, Noemi Deak, Zhiwen Wang, Haipeng Yu, Lisanne Hameleers, Edita Jurak, Peter J. Deuss, Katalin Barta
Summary: Deep eutectic solvents (DES) are intriguing green reaction media for biomass processing, however, the typical drawback of undesired lignin condensation has been addressed by developing a tunable ternary DES system that allows for stabilization of reactive intermediates for efficient lignocellulose fractionation.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Bricker D. Like, Christina E. Uhlenbrock, Matthew J. Panzer
Summary: Deep eutectic solvents (DESs) are a rapidly expanding class of liquid phase mixtures that have many useful features. However, there is currently no widely accepted criterion for identifying whether a particular mixture is a DES or not. This study introduces a quantitative metric based on the molar excess Gibbs energy of a eutectic mixture and proposes a threshold value to classify a eutectic system as a DES.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Nabeel Mujtaba Abbasi, Jared L. Anderson
Summary: This study thoroughly investigated the solvation properties of zwitterionic deep eutectic solvents (DESs) using solvatochromic dye methods and inverse gas chromatography (IGC) for the first time. The results showed that DESs composed of organic acids were generally more polar than diol-based DESs, and glycerol-based DESs exhibited exceptionally high hydrogen bond donating ability. The study also revealed that hydrogen bond basicity was the most dominant interaction, and diol-based hydrogen bond donors generally had higher hydrogen bond basicity compared to organic acid-based hydrogen bond donors. Additionally, sulfobetaine HBAs with longer alkyl chains offered stronger dispersive-type interactions and hydrogen bond basicity compared to betaine and L-carnitine salts.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Svetlana Blokhina, Marina Ol'khovich, Angelica Sharapova
Summary: The solubility of thioacetazone in aqueous mixtures of deep eutectic solvents (DESs) with choline chloride as the hydrogen bond acceptor was measured at temperature range (298.15-313.15) K. The drug solubility in neat DESs was higher than that in water, with a 53 times increase when malonic acid was the hydrogen bond donor, a 37 times increase with tartaric acid, and a 33 times increase with citric acid. The density of the solvents and their mixtures at different temperatures was determined, showing that solvents with acids containing more active functional groups had higher density but lower solvating capacity. The experimental data of drug solubility in DES mixtures were in agreement with Hansen solubility parameters, and the thermodynamic functions and intermolecular interactions in the systems with DESs were discussed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Energy & Fuels
Arash Abbasi, Farzaneh Feyzi
Summary: The synthesis of carboxylic-based deep eutectic solvents (DESs) for extractive catalytic oxidative desulfurization (ECODS) resulted in high sulfur removal efficiency, reaching up to 99.67% under optimal conditions. The Taguchi experimental design method was employed to determine critical parameters affecting the experiments, highlighting the importance of temperature, fuel to DES volume ratio, and oxidant to sulfur molar ratio.
PETROLEUM SCIENCE AND TECHNOLOGY
(2022)
Article
Food Science & Technology
Johnatt Allan Rocha de Oliveira, Paula de Paula Menezes Barbosa, Gabriela Alves Macedo
Summary: This paper evaluated the methodologies for extracting phenolic compounds using Deep Eutectic Solvents (DES) in combination with pectinlyase. The results showed that DES associated with pectinlyase had higher concentration of phenolic compounds and antioxidant activity, indicating its excellent potential for extracting flavonoids from citrus pomace.
Article
Chemistry, Physical
A. Ghanadzadeh Gilani, J. Jahanbin Sardroodi, F. Verpoort, Sh Rahmdel
Summary: In this study, liquid-liquid equilibrium data for ternary mixtures of (cyclohexane + alcohols + deep eutectic solvents) were measured and analyzed, showing promising extraction abilities of the deep eutectic solvents for primary alcohols. The NRTL model successfully fit the experimental data, with optimized binary interaction parameters using PSO algorithm. The study also evaluated the solute distribution coefficients and selectivity, highlighting the influence of alcohol chemical structure on phase equilibria.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Elizabeth A. Recker, David Hardy, Grace I. Anderson, Arsalan Mirjafari, Durgesh V. Wagle
Summary: This study investigated the impact of a covalent link between hydrogen bond donor species on the behavior of deep eutectic solvents (DES). The presence of a glycosidic bond in trehalose limited the movement of sugar units, resulting in fewer interactions with choline chloride in DES(t). This limitation influenced the physical state of DES(t), making it behave more like a semi-solid material compared to the liquid-like behavior of DES(g).
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Tarek Lemaoui, Abir Boublia, Ahmad S. Darwish, Manawwer Alam, Sungmin Park, Byong-Hun Jeon, Fawzi Banat, Yacine Benguerba, Inas M. Alnashef
Summary: Studies on deep eutectic solvents (DESs) have gained increasing attention due to their green nature and customizable properties. Predicting the surface tension of DESs is crucial for their industrial applications, and this study proposes an artificial neural network model that achieved excellent prediction performance.
Article
Engineering, Chemical
Ericsem Pereira, Debora Tamires Vitor Pereira, Marcela C. Ferreira, Julian Martinez, Antonio J. A. Meirelles, Guilherme J. Maximo
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
(2020)
Article
Thermodynamics
Ariel A. C. Toledo Hijo, Ericsem Pereira, Ana M. S. Magalhaes, Guilherme J. Maximo, Mariana C. Costa, Jorge F. B. Pereira, Antonio J. A. Meirelles
Summary: This study employs the oligomeric approach to tune the LC and melting profiles of Ionic liquid crystals derived from fatty acids and choline, showing their sustainable appeal and potential applications in various industrial fields.
FLUID PHASE EQUILIBRIA
(2021)
Article
Biology
Mayara S. Rodrigues, Rafaela M. Dos Passos, Paula V. de A. Pontes, Marcela C. Ferreira, Antonio J. A. Meirelles, Christian V. Stevens, Guilherme J. Maximo, Klicia A. Sampaio
Summary: In this study, enzymatic degumming was conducted on crude rice bran oil using different phospholipases and cocktails. The results showed that enzyme mixtures or cocktails can effectively reduce phosphorus content and increase diacylglycerol/free fatty acid conversion, while preserving minor components. This indicates a viable alternative for improving the refining process of vegetable oils.
Article
Chemistry, Applied
Sara Fraga, Fabio Domingues Nasario, Daniel Goncalves, Fernando Antonio Cabral, Guilherme Jose Maximo, Antonio Jose de Almeida Meirelles, Anita Jocelyne Marsaioli, Klicia Araujo Sampaio
Summary: The study assessed the composition and extraction products of caferana seeds, revealing their potential as a source of bioactive compounds for pharmaceutical, nutraceutical, cosmetic, and food products.
Article
Thermodynamics
Marcela C. Ferreira, Ariel A. C. Toledo Hijo, Fabiane O. Farias, Eduardo A. C. Batista, Guilherme J. Maximo, Antonio J. A. Meirelles
Summary: This study investigates the use of protic FA-based IL as a solvent for deacidification of vegetable oils. The experimental results show that IL has good deacidification efficiency, and the model can well describe the liquid-liquid equilibrium of the system. Therefore, protic FA-based ILs may have potential applicability as alternative solvents for deacidification of crude vegetable oils.
FLUID PHASE EQUILIBRIA
(2022)
Article
Thermodynamics
Ericsem Pereira, Debora T. V. Pereira, Antonio J. A. Meirelles, Guilherme J. Maximo
Summary: Modeling the solid-liquid equilibrium behavior of binary mixtures containing TAG species using predictive approaches based on UNIFAC and a predictive version of UNIQUAC showed promising results in representing experimental data, despite limitations in calculating the nonideal behavior of the systems. Using activity coefficients models in both phases was essential for the best description of the systems. This predictive modeling approach can be a useful tool for designing mixtures with desired phase behavior when experimental data is not available.
FLUID PHASE EQUILIBRIA
(2022)
Article
Thermodynamics
Eduardo S. Esperanca, Mariane S. Bonatto, Mariana C. Costa, Antonio J. A. Meirelles, Guilherme J. Maximo
Summary: This study investigates the thermodynamic effects of fatty acids on the structure and solubility of cholesterol. The results show that certain lower fatty acids can alter the structure of cholesterol, forming solid solutions. The study also finds that coconut oil and palm oil can dissolve cholesterol. These phenomena may have implications for the absorption of cholesterol in the gastrointestinal tract.
FLUID PHASE EQUILIBRIA
(2022)
Article
Food Science & Technology
Ariel A. C. Toledo Hijo, Claudinei Alves, Fabiane O. Farias, Vinicius S. Peixoto, Antonio J. A. Meirelles, Gustavo H. F. Santos, Guilherme J. Maximo
Summary: The use of protic ILs and DES as green solvents for polyphenol extraction from mate leaves shows promising results, with improved extraction efficiency compared to conventional solvents. This research contributes to the development of sustainable and cost-effective methods for extracting valuable compounds from plant materials.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Food Science & Technology
Sabrina S. Andrade, Klicia A. Sampaio, Mariana C. Costa, Pedro P. Corbi, Antonio J. A. Meirelles, Guilherme J. Maximo
Summary: This study investigated the solid-liquid equilibrium of fatty acids, triacylglycerols, and partial acylglycerols with 3-MCPD and glycidol. The results showed that the lipid compounds formed liquid crystalline structures and/or solid solutions with the contaminants, making it difficult to separate them from the lipid matrix and potentially affecting their absorption during digestion.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Food Science & Technology
Paula Virginia de Almeida Pontes, Aline Czaikoski, Naara Aparecida Almeida, Sara Fraga, Liliana de Oliveira Rocha, Rosiane Lopes Cunha, Guilherme Jose Maximo, Eduardo Augusto Caldas Batista
Summary: This study evaluated the extraction of phenolic compounds from olive pomace using deep eutectic solvents (DES) and compared the total phenolic content and antioxidant activity of DES extracts with ethanol extracts. The results showed that DES extracts had superior antibacterial activity and oxidative stability compared to ethanol extracts, suggesting that DES could be a potential solvent for phenolic compound extraction with technological benefits.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Ariel A. C. Toledo Hijo, Aureliano A. D. Meirelles, Guilherme J. Maximo, Rosiane L. Cunha, Marcelo Cristianini, Thiago S. . Leite, Jorge F. B. Pereira, Antonio J. A. Meirelles
Summary: This article presents a strategy to obtain highly stable emulsions using ionic liquid (IL) technology, with ILs derived from fatty acids and choline as an example. These ILs exhibited high emulsifier ability and antimicrobial effectiveness at low concentrations, leading to improved shelf life of emulsions.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Food Science & Technology
Eduardo S. Esperanca, Mariane S. Bonatto, Karen C. G. Silva, Gustavo G. Shimamoto, Matthieu Tubino, Mariana C. Costa, Christianne E. C. Rodrigues, Antonio J. A. Meirelles, Ana C. K. Sato, Guilherme J. Maximo
Summary: This study aimed to explore the effects of phytosterols and gamma-oryzanol on cholesterol lowering and verify the potential mechanisms through experimental observations. The results demonstrated that these compounds could induce phase transitions and alter solubility of cholesterol during digestion, potentially affecting its absorption in the gastrointestinal tract.
Article
Chemistry, Applied
Ericsem Pereira, Jean-Michel Fernandes, Raquel Gonsalves, Ana C. Pinheiro, Antonio J. A. Meirelles, Guilherme J. Maximo, Antonio A. Vicente
Summary: Investigating the digestion of lipids is crucial for the development of new lipid-based products. This study focused on evaluating the digestion of medium-chain fatty acids (MCFAs) rich lipids in the gastrointestinal (GI) tract. The researchers used a dynamic GI in vitro system to simulate different parts of the GI tract and compared the results with static in vitro assays. They found that the gastric digestion phase played a significant role in MCFA lipolysis and observed incomplete lipid hydrolysis due to the restricted lipase activity.
Article
Thermodynamics
Ana M. S. Magalhaes, Bruno M. Brentan, Antonio J. A. Meirelles, Guilherme J. Maximo
Summary: This study evaluates the thermal properties and cold flow properties of ethylic biodiesel derived from Brazilian biodiversity oils, including coconut, ucuuba, macauba, and babassu, and their blends with other commercial sources. The use of blends is shown to improve the cold flow properties. The study also demonstrates the ability of artificial neural networks to predict the solid fraction content behavior of ethylic biodiesel, expanding the possibilities for biodiesel formulation and improvement of cold weather behavior.
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Applied
M. Graca Dias, Elsa Vasco, Francisco Ravasco, Lufsa Oliveira
Summary: This study estimated the vitamin D intake of "adults" and "elderly" populations in Portugal using the TDS methodology. The results showed that the majority of people had inadequate vitamin D intake, well below the Dietary Reference Values.
Article
Chemistry, Applied
Yanan Wang, Jiachen Shi, Yong-Jiang Xu, Chin-Ping Tan, Yuanfa Liu
Summary: This study investigates the variations in lipid digestion profiles among individuals of different ages using in vitro digestion models. The findings suggest that adults have a more comprehensive lipid digestion compared to infants, and infants tend to release shorter chain length and more saturated free fatty acids during digestion. Additionally, the particle sizes in the stomach of the elderly were consistently larger. This study enhances our understanding of how lipids with different degrees of unsaturation undergo digestion in diverse age groups.
Article
Chemistry, Applied
Hyunjong Yu, Huisu Kim, Pahn-Shick Chang
Summary: Chitosan-pectin emulsion-filled hydrogel (EFH) was developed to enhance the bioaccessibility of lipophilic bioactive compounds through intestinal delivery. The EFH, prepared without crosslinking agents, demonstrated improved mechanical strength and compactness with higher pectin concentration. It retained the emulsion at pH 2.0 and released it at pH 7.4, resulting in enhanced release of free fatty acids and improved bioaccessibility of curcumin.
Article
Chemistry, Applied
Tongze Zhang, Siqi Hong, Jia-Rong Zhang, Pin-He Liu, Siyi Li, Zixian Wen, Jianwei Xiao, Guirong Zhang, Olivier Habimana, Nagendra P. Shah, Zhongquan Sui, Harold Corke
Summary: Lactic acid fermentation significantly affects the morphology and physicochemical properties of proso millet starch, including the formation of surface indentations and small pores, decrease in gelatinization temperatures, and changes in hardness and adhesiveness.
Article
Chemistry, Applied
Liqin Kong, Feng Hong, Peng Luan, Yiping Chen, Yaoze Feng, Ming Zhu
Summary: This study presents a novel impedance biosensor using composite nanomaterials and T1R1 as a signal probe, which can competitively and ultra-sensitively detect umami intensity. The biosensor exhibits exceptional analytical performance and is suitable for food flavor evaluation.
Article
Chemistry, Applied
Kunying Lv, Yixin Yang, Qilong Li, Ran Chen, Liang Deng, Yiwei Zhang, Ning Jiang
Summary: Horse's milk, with its high nutritional value and low allergenic proteins, could be a substitute for cow's milk in infant consumption. A proteomic method was used to identify and compare milk fat globule membrane (MFGM) and whey proteins from different horse breeds. The study found differences in protein composition and functionality, which could support the development of formulas more suitable for human infants.
Article
Chemistry, Applied
Enrique Jacobo Diaz-Montana, Helene Brignot, Ramon Aparicio-Ruiz, Thierry Thomas- Danguin, Maria Teresa Morales
Summary: Sensory perception of virgin olive oil is influenced by phenols and volatiles, which are affected by the composition of the oil and biological factors. This study investigated the effect of saliva and phenols on the release of volatiles, and found that the presence of phenols decreased the release of saturated volatiles.
Article
Chemistry, Applied
Wei Zhou, Rui Zhang, Zhen Cai, Fangfang Wu, Yong Hu, Chao Huang, Kun Hu, Yun Chen
Summary: Environmentally friendly and outstanding pH-responsive cationic starch nanoparticles (CSNP) were prepared from pH-sensitive starch. CSNP exhibited nanosize and regular sphere, highly free-flowing molecular chains, and demonstrated excellent pH responsiveness through multiple emulsion/demulsification transitions.
Article
Chemistry, Applied
Andrea Koo, Vinayak Ghate, Weibiao Zhou
Summary: This study suggests that direct seeding may negatively affect the nutritional quality of crops, causing a decrease in ascorbic acid, vitamin K, and total glucosinolate content.
Article
Chemistry, Applied
Tonghao Du, Yazhou Xu, Xiaoyan Xu, Shijin Xiong, Linli Zhang, Biao Dong, Jinqing Huang, Tao Huang, Muyan Xiao, Tao Xiong, Mingyong Xie
Summary: This study successfully improved the ACE inhibitory activity of black sesame seeds by fermenting them with Lactobacillus Plantarum NCU116 and hydrolyzing them using acid protease. The RF-PSO model was used to predict the ACE inhibitory activity during the hydrolysis process. Eight peptides with ACE inhibitory activity were identified from fermented black sesame seed hydrolysates after separation and screening.
Article
Chemistry, Applied
Yao Liu, Songyi Lin, Kexin Liu, Shan Wang, Qiaozhen Liu, Na Sun
Summary: This study analyzed the structural changes of shrimp proteins during digestion, predicted the immunodominant epitopes, and validated their allergenicity. The results showed that shrimp proteins were degraded into peptides during digestion, but still carried IgE epitopes that trigger allergic reactions.
Article
Chemistry, Applied
Tiantian Fu, Hongwei Cao, Yu Zhang, Xiao Guan
Summary: This study investigates the impact of milling on the active components in rice, with a focus on the stability and bioaccessibility of phenols, VB1, and alpha-GABA during cooking and digestion. The findings show that milling exacerbates the instability of gamma-GABA during cooking and VB1 during digestion, and it affects the bioaccessibility of these active compounds.
Article
Chemistry, Applied
Zhihao Yang, Yanru Hou, Min Zhang, Puxin Hou, Chang Liu, Lu Dou, Xiaoyu Chen, Lihua Zhao, Lin Su, Ye Jin
Summary: This study investigated the molecular mechanism of feeding regimes on lamb flavor by using TMT labeling combined with MS. The results showed that pasture-fed groups had higher levels of amino acids and volatile flavor substances compared to concentrate-fed groups. Additionally, several differentially abundant proteins associated with lamb flavor were identified.
Article
Chemistry, Applied
Zixuan Xie, De Zhang, Junyu Zhu, Qianqian Luo, Jun Liu, Jingtao Zhou, Xiaoyong Wang, Yuqiong Chen, Zhi Yu, Dejiang Ni
Summary: This study investigated the acidification of aroma-enhanced black tea during storage. Analysis of non-volatile substances and organic acids using UPLC-Q-TOF/MS and HPLC revealed a decrease in soluble sugars and amino acids, while an increase in organic acids such as oxalic acid, malic acid, and quinic acid. In vitro experiments further demonstrated that the acidification is a result of the decomposition of sugars and amino acids by heating, as well as the oxidation of aromatic aldehydes. Additionally, the study showed that the taste composition of tea infusion is altered, with reduced amino acids, catechins, soluble sugars, and flavonoids. This research provides a theoretical basis for improving the quality of black tea.
Article
Chemistry, Applied
Lin Wang, Falai Ma, Zihan Li, Yan Zhang
Summary: This study developed time-temperature integrators based on amyloglucosidase@Cu3(PO4)2 nanoflowers for monitoring the freshness of chilled pork. The results showed that the integrators were highly reliable and accurate in predicting the quality of chilled pork.
