Article
Biochemical Research Methods
Ibraam E. Mikhail, Masoomeh Tehranirokh, Andrew A. Gooley, Rosanne M. Guijt, Michael C. Breadmore
Summary: This review summarizes various sample clean-up and analyte enrichment strategies that can be directly coupled with ESI-MS and nano-ESI-MS for the analysis of biological fluids, including solid phase extraction, solid phase micro-extraction, slug flow micro-extraction/nano-extraction, and more.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Biochemical Research Methods
Shuanglong Wang, Shan Shan, Jian Yang, Junhui Zhou, Guofeng Wang
Summary: A triangular-shaped flat plastic substrate probe was prepared for direct ESI-MS analysis of untreated chemical and biological samples. Compared to conventional capillary ESI, this plastic probe offers advantages such as lower cost, higher sensitivity, lower sample consumption, longer signal duration, better reproducibility, and faster analysis speed.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Renata Konasova, Dusan Koval, Jan Hosek, Vaclav Kasicka
Summary: In CE-ESI-MS interfaces, protruding or aligning the capillary tip with the emitter tip affects the decoupling of the ESI potential from the separation potential. Only when the capillary tip is retracted 20 μm inside the emitter can complete decoupling of the spray and separation potentials be achieved, providing better sensitivity for the analysis.
Review
Pharmacology & Pharmacy
Manman Qin, Yuqing Qian, Lu Huang, Chao Zhong, Mingdong Li, Jun Yu, Huanwen Chen
Summary: Extraction electrospray ionization mass spectrometry (EESI-MS) enables effective ionization of trace molecules in complex samples without sample pretreatment, providing high sensitivity, selectivity, and response speed. It also allows for advanced functionalization of high-energy molecular species. This article systematically reviews the effects of operating conditions on the analytical performance of EESI-MS for various pharmaceutical compounds and introduces its potential application in molecular functionalization for drug discovery.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Biochemical Research Methods
Bibi Zareena, Adeeba Khadim, Syed Usama Y. Jeelani, Saddam Hussain, Arslan Ali, Syed Ghulam Musharraf
Summary: The study identified different classes of alkaloids in plant extracts using LC-MS/MS, providing valuable data for drug discovery and understanding biological pathways.
JOURNAL OF PROTEOME RESEARCH
(2021)
Article
Biochemical Research Methods
Michael Goetze, Lukasz Polewski, Leila Bechtella, Kevin Pagel
Summary: This article introduces a 3D-printable nano-electrospray ionization (nano-ESI) source for Bruker instruments, which can be assembled by anyone with access to a 3D printer. The source can be fitted to any Bruker mass spectrometer with an ionBooster ESI source and only requires minor, reversible changes to the original Bruker hardware. The general utility of the source was demonstrated by recording high-resolution MS spectra of small molecules, intact proteins, as well as complex biological samples in negative and positive ion mode on two different Bruker instruments.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Multidisciplinary Sciences
Amanda Gisler, Kapil Dev Singh, Jiafa Zeng, Martin Osswald, Mo Awchi, Fabienne Decrue, Felix Schmidt, Noriane A. Sievi, Xing Chen, Jakob Usemann, Urs Frey, Malcolm Kohler, Xue Li, Pablo Sinues
Summary: Exhaled breath analysis provides valuable molecular-level information and has promising potential for precision medicine. However, the lack of validation in multicenter trials hinders the transition of breath tests into routine clinical practice. In this study, an interoperability framework was developed and applied, revealing a technical variability of approximately 20% and identifying a core signature of the human exhaled metabolome. The results showed high inter-subject variability for certain metabolic classes but relative stability in other regions, such as the TCA cycle. This framework and the overview of metabolic coverage will pave the way for future large-scale multicenter trials.
Review
Chemistry, Analytical
Bin Hu, Zhong-Ping Yao
Summary: This article reviews the technical aspects and important applications of wooden-tip ESI-MS in various fields. Wooden-tip ESI-MS has shown significant achievements in the past 10 years and has the potential for further development and application.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Xiaowei Song, Qingce Zang, Chao Li, Tianhao Zhou, Richard N. N. Zare
Summary: We developed an immunoassay-based desorption electrospray ionization mass spectrometry imaging (immuno-DESI-MSI) technique for visualizing functional macromolecules. Boronic acid mass tags (BMTs) were synthesized to label antibodies as MSI probes, which can be released from the antibody by cleaving the boronic ester bond under acidic conditions. The BMTs can work in both optical and MS imaging modes and can be readily identified due to the introduction of the boron element.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Editorial Material
Biochemistry & Molecular Biology
Rafal Franski, Monika Beszterda-Buszczak
Summary: Villalva et al. evaluated the potential of yarrow extract as a treatment for H. pylori infection. They used the agar-well diffusion bioassay to test the extract's antimicrobial activity. The extract was fractionated into two fractions containing polar phenolic compounds and monoterpenes and sesquiterpenes, respectively. The phenolic compounds were identified using HPLC-ESIMS, but there were some disputed product ions.
Article
Chemistry, Analytical
Xiaoping Zhang, Xiang Ren, Yuan Zhong, Konstantin Chingin, Huanwen Chen
Summary: The study detected ketones in exhaled breath using mass spectrometry and developed a fast, sensitive, noninvasive method for ketone analysis. Results showed higher levels of acetone in the breath of smokers compared to non-smokers.
Article
Chemistry, Multidisciplinary
Yan-Min Su, Zhao-Zhen Cao, Lei Feng, Qing-Wang Xue, Chen-Ho Tung, Zhi-Yong Gao, Di Sun
Summary: This study successfully isolated two silver nanoclusters with core-shell structures under the presence of different sulfonic acids, showing different cores while sharing a similar outer shell. The nanoclusters exhibited inverse luminescence thermochromic behaviors in the near-infrared region, mainly controlled by the inner silver cores. This work not only achieved the synthesis of new silver nanoclusters through core modulation but also provided a prototype for understanding the correlation between structure and luminescence thermochromism at the molecular level.
Article
Chemistry, Analytical
Fengjian Chu, Gaosheng Zhao, Wangyu Li, Wei Wei, Weiwei Chen, Zihan Ma, Zhan Gao, Nazifi Sani Shuaibu, Jikui Luo, Bingwen Yu, Hongru Feng, Yuanjiang Pan, Xiaozhi Wang
Summary: A microwave plasma torch-based ion/molecular reactor (MPTIR) has been developed for creating and monitoring rapid oxidation reactions without the addition of external oxidants or catalysts. The oxidation products from the MPTIR match those of the long-term environmental oxidative process, and two unreported environmental compounds were identified in actual water samples using this device.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Pei Su, Xi Chen, Andrew J. Smith, Michael F. Espenship, Hugo Y. Samayoa Oviedo, Solita M. Wilson, Habib Gholipour-Ranjbar, Carlos Larriba-Andaluz, Julia Laskin
Summary: In this study, an efficient approach to multiplex electrospray ionization sources for applications in analytical and preparative mass spectrometry is reported. By implementing up to four orthogonal injection inlets on the opposite sides of an electrodynamic ion funnel interface, the total ion current transmitted through the mass spectrometer and the signal-to-noise ratio increase significantly. The results demonstrate the potential for proportional increase in ion current with the number of ESI inlets, presenting exciting opportunities for the development of bright ion sources in mass spectrometry applications.
ANALYTICAL CHEMISTRY
(2021)
Article
Food Science & Technology
Aleksander Siger, Pawel Gornas
Summary: The tocopherol and tocotrienol profiles were studied in 418 plant oil samples, representing 31 families, 82 species, and 5 cross-species. Tocotrienols dominated in 15 species, while tocopherols dominated in 67 species. Gamma-T accounted for almost half (49.3%) of the total tocochromanol content, while alpha-T constituted one quarter (25.0%), and other tocochromanols were minor constituents. The presence of characteristic tocochromanol profiles in oils was related to the taxonomic plant origin. This study also demonstrated that both monocotyledonous and dicotyledonous families can be rich in tocotrienols. The usefulness of statistical tools such as PCA and HCA for differentiating plant samples based on their tocochromanol profile was shown.
FOOD RESEARCH INTERNATIONAL
(2023)
Article
Engineering, Chemical
Leticia Andrade de Sa, Maria Carolina Capellini, Christianne E. C. Rodrigues, Antonio J. A. Meirelles
Summary: In this study, soybean oil was deacidified using liquid-liquid extraction with ethanol as solvent in a perforated rotating disc column. The results showed that low water content in the solvent and rotation speed of the discs were key factors influencing the transfer of free fatty acids and loss of neutral oil. The process conditions identified were effective in reducing phosphorus, peroxide value, and FFA content in the degummed soybean oil.
JOURNAL OF FOOD PROCESS ENGINEERING
(2022)
Article
Energy & Fuels
Marcela C. Ferreira, Daniel Goncalves, Larissa C. B. A. Bessa, Christianne E. C. Rodrigues, Antonio J. A. Meirelles, Eduardo A. C. Batista
Summary: The use of ethanol as a safer alternative to hexane in vegetable oil extraction shows promise, although further research is needed to optimize its use in large-scale continuous operations.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2022)
Article
Engineering, Chemical
Fernanda Paludetto Pelaquim, Flavio Cardoso de Matos, Eduardo Augusto Caldas Batista, Antonio Jose de Almeida Meirelles, Mariana Conceicao da Costa
Summary: Fatty compounds have significant industrial applications, and understanding their physical and chemical properties related to solid-liquid equilibrium is important. The phase behavior of binary mixtures composed of different components was studied, and it was found that the behavior could be well-described using the three-suffix Margules model.
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
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
Engineering, Chemical
Oscar Zalla Sampaio Neto, Lilian Caroline Kramer Biasi, Marcela Cravo Ferreira, Daniel Gonsalves, Antonio Carlos Silva Neto, Eduardo Augusto Caldas Batista, Antonio Jose de Almeida Meirelles
Summary: This article proposes a new mathematical model to describe the solute concentration distribution in solid-liquid extraction. The model considers the movement of the liquid phase and can calculate the transient and local solute concentrations in the loading zone. Experimental results demonstrate that the model is consistent with reality and can be used to simulate solid-liquid extraction operations.
JOURNAL OF FOOD ENGINEERING
(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
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
Food Science & Technology
Ariel A. C. Toledo Hijo, Eric Keven Silva, Marcelo Cristianini, Antonio J. A. Meirelles
Summary: In the past decade, there has been a revolution in the food industry due to the increasing awareness of conscious food consumption. Finding additives that meet the criteria of naturalness, healthiness, and sustainability is a major challenge. The use of bio-based ionic liquids derived from fatty acids and choline as emulsifiers shows promise in producing stable oil-in-water emulsions.
INNOVATIVE FOOD SCIENCE & EMERGING TECHNOLOGIES
(2023)
Article
Food Science & Technology
Sabrina S. Andrade, Ramon S. B. Ferreira, Fabiane O. Farias, Rafael de P. Soares, Mariana C. Costa, Pedro P. Corbi, Antonio J. A. Meirelles, Eduardo A. C. Batista, Guilherme J. Maximo
Summary: Oils and fats are vital for the food and pharmaceutical industries, and their main components, such as triacylglycerols, play a crucial role in determining their physical properties. Lipid-rich foods also contain compounds like vitamin E, which can interact with the primary lipid molecules and affect their physicochemical properties. This study investigated the phase behavior between vitamin E and various triacylglycerols using experimental methods and thermodynamic modeling. The results showed a strong attraction between the two, leading to a decrease in the melting temperature of the triacylglycerols. Microscopic observations and X-ray diffraction also suggested the formation of solid solutions. Understanding this phase behavior could help improve the antioxidant effectiveness of vitamin E in lipid-based systems.
FOOD RESEARCH INTERNATIONAL
(2023)
Article
Chemistry, Physical
Marcela C. Ferreira, Daniel Gonsalves, Larissa C. B. A. Bessa, Antonio J. A. Meirelles, Eduardo A. C. Batista
Summary: Multiple liquid phases with different compositions exist in the biodiesel production chain. The complexity of the fatty compounds complicates the process simulation and thermodynamic understanding. However, this study found that the fatty classes can be simplified to pseudocomponents in the liquid-liquid equilibrium, which facilitates computational simulation and thermodynamic modeling. The UNIFAC-BESSA parameter set showed good predictive performance in estimating liquid-liquid equilibrium data of various fatty systems and can be used in computational simulations and thermodynamic modeling of biodiesel systems.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Gabriel Sthefano Lourenco Pereira, Renata da Silva Magalhaes, Sara Fraga, Patricia Tonon de Souza, Juliana Pinto de Lima, Antonio Jose de Almeida Meirelles, Klicia Araujo Sampaio
Summary: The objective of this study was to obtain extracts from Butia capitata fruit pulp using sequential extraction with supercritical carbon dioxide and pressurized ethanol and water. The combination of the supercritical extraction technique and pressurized fluids ensured better extraction performance and more identification of fatty acids, as well as higher levels of total phenolic compounds, antioxidant capacity, and total carotenoids compared to conventional extracts.
JOURNAL OF SUPERCRITICAL FLUIDS
(2023)