Article
Chemistry, Analytical
Xuan Lu, Xinli Zhu, Deying Chen, Jiahang Zhou, Jiong Yu, Jue Xie, Senxiang Yan, Hongcui Cao, Liang Li, Lanjuan Li
Summary: This study developed a workflow to investigate the metabolic changes in blood components after irradiation, identifying specific metabolites and pathways affected by irradiation. The results showed modulation of taurine and hypotaurine metabolism in plasma, as well as purine metabolism in RBCs and PBMCs. These findings offer insights into the impact of irradiation on blood metabolism.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2021)
Article
Agronomy
Anamica Upadhyay, Anwar Shahzad, Zishan Ahmad, Abdulrahman A. Alatar, Gea Guerriero, Mohammad Faisal
Summary: This study successfully established an in vitro propagation procedure for D. palmatus, which can be adopted for preservation, large-scale production, and secondary metabolites' production.
Article
Chemistry, Analytical
Simin Chen, Man Yuan, Yingling Zhang, Yu Xu, Hongxi Xu
Summary: The aim of this study was to establish a method for the quality control of Fuzhuan brick tea for stable production. Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry was used to identify Fuzhuan brick tea, and the major components were chosen for further quantitative analysis. Subsequently, a quantification method was developed using ultra-high-performance liquid chromatography coupled with triple-quadrupole mass spectrometry, and its reliability was verified through methodological validation. A total of 30 compounds were identified, including catechins, flavonoids, alkaloids, and fatty acids. The established method was reliable for methodological validation and was applied to the quantitative analysis of Fuzhuan brick tea. This study provides a fundamental basis for the quality control and further studies on the component analysis of Fuzhuan brick tea.
JOURNAL OF SEPARATION SCIENCE
(2023)
Article
Biochemical Research Methods
Naialy Fernandes Araujo Reis, Luiz Felipe Gomes da Silva, Mateus Araujo Castro e Souza, Silvia Ligorio Fialho, Carolina Paula de Souza Moreira, Marcus Vinicius de Oliveira Andrade, Washington Xavier de Paula, Maria Beatriz Abreu Gloria, Gerson Antonio Pianetti, Christian Fernandes
Summary: The high incidence of illegal drug products containing phosphodiesterase-5 inhibitors, like sildenafil and tadalafil, used for erectile dysfunction treatment, prompted a study on the quality of genuine and illegal medicines. A rapid UHPLC-UV method was developed to quantify these drugs and their degradation products. While the method proved to be accurate and selective, some seized medicines did not meet quality standards due to variations in contents between units within a batch.
JOURNAL OF CHROMATOGRAPHIC SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Mengxin Yang, Xi Tian, Miaoting Zhang, Jinhuan Wei, Yukun Niu, Jiali Hou, Yiran Jin, Yingfeng Du
Summary: This study investigates the effect of harvesting period on the metabolic profile and clinical efficacy of Hangbaiju (HJ) products using a combination of metabolomics, bioinformatics, and molecular docking. The results identify novel markers for material authentication of Taiju and Duoju and anti-hepatoma biomarkers. The findings provide insights into the differences in sensory aroma and clinical efficacy between Taiju and Duoju.
Article
Cell Biology
Feng-Jiao Li, Fan Zhang, Xu-Dong He, Xin Liu, Jian-Kang Mu, Min Yang, Yan-Qin Li, Wen Gu, Jie Yu, Xing-Xin Yang
Summary: This study developed an efficient method to isolate parkin ligands from herbal medicines, and identified seven novel compounds that can activate parkin and have therapeutic effects on fatty liver. This research provides a useful tool for drug discovery from medicinal herbs.
OXIDATIVE MEDICINE AND CELLULAR LONGEVITY
(2022)
Article
Chemistry, Analytical
Sophia A. Schreckenbach, Denina Simmons, Adam Ladak, Lauren Mullin, Derek C. G. Muir, Myrna J. Simpson, Karl J. Jobst
Summary: This study developed a suspect screening method based on industrial compounds with bioaccumulation potential. Results showed that SQDIA has a significantly lower false-positive rate compared to standard DIA. Through suspect screening and nontargeted screening, multiple pollutants were identified, with some compounds confirmed through standards and structural analysis.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Sophie Catanese, Raoul K. Khanna, Antoine Lefevre, Hugo Alarcan, Pierre-Jean Pisella, Patrick Emond, Helene Blasco
Summary: To apply metabo-lipidomics in ophthalmological and systemic diseases, it is necessary to standardize the preanalytical and analytical steps in human tears. This study compared different methods for each step of the workflow and found that methanol/water extraction provided the best results for metabolomics, while Folch extraction was superior for lipidomics. The use of microcapillary glass tube for sampling was superior to Schirmer strip for metabolomics. A volume of 5 mu L provided satisfactory metabo-lipidomic coverage. These findings will contribute to improving the metabo-lipidomic workflow in human tears for the identification of new biomarkers.
Article
Chemistry, Analytical
Xiaowen Wang, Huiru Liu, Lexin Shu, Yaqi Yao, Yanyan Xu, Jinxia Wei, Yubo Li
Summary: Hugan tablet is a Chinese medicine preparation used for the treatment of chronic hepatitis and early cirrhosis. This study developed a reliable method for the rapid analysis and identification of its chemical components. A total of 144 chemical components were tentatively identified, including organic acids, flavonoids, alkaloids, lignans, saponins, and others. These components may be the active ingredients of Hugan tablet. The established method provides a basis for pharmacodynamic substance study and quality control of Hugan tablet.
JOURNAL OF SEPARATION SCIENCE
(2023)
Review
Chemistry, Multidisciplinary
Hadi Parastar, Roma Tauler
Summary: This Review summarizes the analysis of big (bio)chemical data using multivariate chemometric methods and discusses the challenges faced by analytical research. It emphasizes the potential of chemometric methods in solving BBCD problems in chromatographic, spectroscopic, and hyperspectral imaging measurements, with applications to omics sciences. The review provides insights on addressing analysis of BBCD, obtaining reliable qualitative and quantitative results. It discusses the importance of big data in (bio)chemistry, presents analytical tools for generating BBCD, and the theoretical background and limitations of chemometric methods when applied to BBCD. The review highlights the importance of chemometric methods in analyzing BBCD in different chemical disciplines with examples.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Analytical
Juha Kangasluoma, Jyri Mikkila, Verner Hemmila, Oskari Kausiala, Jani Hakala, Evgenia Iakovleva, Paxton Juuti, Mikko Sipila, Heikki Junninen, H. J. Jost, Aleksei Shcherbinin
Summary: Illegal explosives pose a threat to public safety, aviation, transportation, and critical infrastructure. Researchers have developed a trace explosives detection instrument with high sensitivity and efficient workflows. The instrument utilizes thermal desorption of filters for the analysis of liquid and solid phase samples, followed by selective atmospheric pressure chemical ionization and detection with a mass spectrometer. The experiments demonstrated that the system has low detection limits and can effectively detect various common explosives.
Article
Chemistry, Analytical
Yahui Yan, Rahima Abdulla, Xiaoyan Liu, Shuping Li, Haji Akber Aisa
Summary: This study qualitatively and quantitatively investigated the chemical composition of the Shabyar tablet, identifying 170 chemical components and analyzing 33 characteristic constituents. The findings provide a foundation for evaluating the quality of the medication and identifying potential effective components.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Analytical
Karin Hojer Holmgren, Lina Moren, Linnea Ahlinder, Andreas Larsson, Daniel Wiktelius, Rikard Norlin, Crister Astot
Summary: The synthetic routes of sulfur mustard were determined through comprehensive nontargeted screening of chemical attribution signatures. Supervised machine learning algorithms achieved high accuracy in retrospective synthetic route attribution of sulfur mustard samples, with test set classification accuracy reaching 100% for certain routes. However, route determination became more challenging when faced with initial thiodiglycol synthesis methods in sulfur mustard samples.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Fengying Lu, Hua Cai, Saimei Li, Wei Xie, Rongjin Sun
Summary: By analyzing the changes in bioactive constituents between fresh ginger and dried ginger, this study identified 53 compounds, including diarylheptanoids that were different in dried ginger compared to fresh ginger. These findings suggest that diarylheptanoids could be the key to explaining the different treatment effects between fresh ginger and dried ginger.
Article
Entomology
Brogan A. Amos, Michael J. Furlong, Diana M. Leemon, Bronwen W. Cribb, R. Andrew Hayes
Summary: This study investigated the effect of rearing environment on the cuticular chemical profile of the small hive beetle, Aethina tumida. The findings showed that the rearing environment had significant qualitative and quantitative effects on the detected hydrocarbons in the beetle's cuticles.
Article
Chemistry, Analytical
Jadson Zeni dos Reis, Wanderson Wanderson Romao
Summary: The growing consumption of illicit drugs in Brazil has become a pressing issue. This study developed paper microfluidics technology to rapidly evaluate the content of cocaine and crack samples. Using a smartphone app, the samples were quantified and the analytical parameters were optimized. The study also assessed the similarity among the samples using chemometric tools.
BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Ana Claudia Hertel Pereira, Ana Carolina Auer, Lauro Biedel, Camila Medeiros de Almeida, Wanderson Romao, Denise Coutinho Endringer
Summary: The study investigates the potential use of Gliricidia sepium as a raw material for natural cosmetics. It examines the chemical composition, antioxidant potential, antimicrobial action, and toxicity of the plant. The study also explores the use of MALDI MS and MALDI MSI techniques to analyze the spatial distribution of phytochemicals on the leaf surface. The results show that G. sepium leaves contain polyphenols and tannins, with a higher flavonoid content in the methanolic extract. Several compounds with potential cosmetic applications, such as kaempferol, isorhamnetin, and fatty acids, are identified on the leaf surface. The extracts exhibit antioxidant and antimicrobial properties without cytotoxicity.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Chemistry, Multidisciplinary
Rayana A. Costa, Bruno V. Vittorazzi, Amanda P. Barbosa, Victoria B. da Rocha, Jandira M. O. B. Brandao, Valdemar Lacerda Jr, Paulo R. Filgueiras, Wanderson Romao
Summary: This study proposed a method using a portable microscope and smartphone combined with chemometric analysis to evaluate the authenticity of Brazilian banknotes and national driver's licenses. The results demonstrate that this method is highly effective in distinguishing between genuine and counterfeit banknotes and licenses.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Clebson J. Macrino, Alex S. Borges, Alvaro Cunha Neto, Valdemar Lacerda Jr, Wanderson Romao
Summary: This work describes the synthesis and application of a europium(III) complex that shows red emission in solution and high sensitivity for detecting PbII ions. The complex can also be used as an ethanol sensor.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2022)
Review
Energy & Fuels
Nata C. L. Madeira, Valdemar Lacerda Jr, Wanderson Romao
Summary: This review discusses the chemical composition of asphalt, aging processes, and influencing factors, including short-term and long-term aging methods as well as the impact of ultraviolet radiation. It also analyzes the main chemical reactions during aging and the development of fractionation techniques.
Article
Energy & Fuels
Fernanda E. Pinto, Victor R. Fonseca, Lindamara M. Souza, Luciana A. Terra, Sreedhar Subramanian, Sebastien Simon, Johan Sjoblom, Thieres M. Pereira, Valdemar Lacerda, Wanderson Romao
Summary: Negative ion-mode electrospray coupled with Fourier transform ion cyclotron resonance mass spectrometry allows for high resolution and accurate ionization of polar constituents. This study characterized different asphaltene subfractions obtained through precipitation and adsorption, estimating solubility parameters and revealing a higher number of polar species in certain subfractions with a more aromatic profile. The study also found that species containing multiple heteroatoms showed higher solubility parameters, impacting the solubility of subfractions.
Article
Medicine, Legal
Layla P. Santos, Marcia H. C. Nascimento, Iago H. A. S. Barros, Nayara A. Santos, Valdemar Lacerda, Paulo R. Filgueiras, Wanderson Romao
Summary: This work describes the application of portable Raman spectroscopy combined with principal component analysis (PCA) and interval principal component analysis (iPCA) to evaluate trends in illicit drugs and adulterants in alcoholic solutions. The study also demonstrates the use of competitive adaptive reweighted sampling (CARS) with partial least squares (PLS) regression for quantification of adulterants in mixtures.
JOURNAL OF FORENSIC SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Bruno Nunes da Rosa, Guilherme Kurz Maron, Bruno Vasconcellos Lopes, Ana Carolina Silva Rocha, Fernando de Moura Gatti, Joao Otavio Anhaia Machado, Jose Mario Barichello, Kristiane de Cassia Mariotti, Gustavo Henrique Goulart Trossini, Neftali Lenin Villarreal Carreno, Claudio Martin Pereira
Summary: The aim of this study was to obtain a novel composite material for fingermark development in forensic science. Among the investigated samples, the one composed of acetylthiophene chalcone/SiO2/ZnO showed the most promising results with clear ridge details and minimal background smearing.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Review
Chemistry, Analytical
Nayara Araujo dos Santos, Maira Kerpel dos Santos, Jose Almirall, Wanderson Roma
Summary: Cannabinomics is a scientific field that focuses on studying the natural compounds found in the Cannabis plant, including cannabinoids, for various applications such as medicine, bioconstruction, materials, and biofuels. However, due to the complex chemical nature and diverse constituents of the Cannabis plant, there are still numerous unexplored applications. Therefore, further studies and advancements in analytical instrumentation and identification methods are crucial for better understanding its composition and organization.
FORENSIC CHEMISTRY
(2023)
Article
Chemistry, Analytical
Nayara Araujo dos Santos, Wanderson Romao
Summary: Cannabis is a widely distributed plant that has been used for food, textiles, and medicinal purposes throughout history. Despite its long history of use, its chemical complexity has limited our understanding of its full potential. This review article aims to provide a comprehensive overview of Cannabis science, including its composition, classification, the synthesis of its main constituents (cannabinoids), its contributions to medicine, and its recreational use. By synthesizing these main topics, readers can gain a holistic view of Cannabis.
FORENSIC CHEMISTRY
(2023)
Article
Energy & Fuels
Jarlene da C. Silva, Lindamara M. Souza, Victor R. Fonseca, Wanderson Romao, Watson Loh, Elizabete F. Lucas
Summary: The identification of petroleum molecules or classes that stabilize water-in-oil emulsions is crucial for efficient treatment methods. This study aimed to obtain fractions of interfacially active and non-interfacially active molecules from asphaltic petroleum samples and compare them to a fraction isolated from the same sample. Various spectroscopic and analytical techniques were used to characterize the samples, and the results indicated the presence of both maltenes and asphaltenes at the water-oil interface.
Article
Chemistry, Analytical
Gabriely S. Folli, Ellisson H. de Paulo, Francine D. Santos, Marcia H. C. Nascimento, Pedro H. P. da Cunha, Wanderson Romao, Paulo R. Filgueiras
Summary: The Standard Practices for Infrared Multivariate Quantitative Analysis (ASTM E1655) provide guidelines for determining physicochemical properties using multivariate calibration techniques. Partial least squares (PLS) is the most commonly used method due to its excellent prediction capabilities. This study evaluates the multicollinearity of different analytical techniques and suggests that PLS may be more effective with NIR, MIR, and H-1 NMR data.
ANALYTICAL METHODS
(2023)
Article
Chemistry, Multidisciplinary
Juliana B. Ferreira, Nayara A. dos Santos, Keyller B. Borges, Nathalia S. Conceicao, Clara S. D. Baptista, Hildegardo S. Franca, Wanderson Romao
Summary: This study presents the synthesis and characterization of hybrid molecularly imprinted polymers (MIPs) for extracting cocaine in biological samples. MIPs synthesized using caffeine and cocaine as templates were compared, and it was found that MIPs had better cocaine extraction. Restricted access molecularly imprinted polymers (RAMIPs) were also produced for comparison. The optimized method accurately quantified cocaine in urine samples.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Fernando F. Barcelos, Thammyres A. Alves, Poliana A. R. Gazolla, Robson Ricardo Teixeira, Vagner T. de Queiroz, Milene M. Praca-fontes, Pedro A. B. Morais, Victor R. Fonseca, Wanderson Romao, Valdemar Lacerda Jr, Rodrigo Scherer, Adilson Costa
Summary: The synthesis of glycerol-fluorinated triazole derivatives and their phytotoxic and cytogenotoxic activities were evaluated. These derivatives showed effects on phytotoxic and cytogenotoxic parameters with varying degrees of efficiency. Some compounds exhibited pre-emergent inhibition behavior while all compounds showed post-emergent effects on weed control. The derivatives have potential for the development of new chemicals for weed control.
ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS
(2023)
Article
Chemistry, Multidisciplinary
Angela M. A. Lima, Wenderson T. de Paula, Iris C. H. L. Leite, Poliana A. R. Gazolla, Lucas M. de Abreu, Victor R. Fonseca, Wanderson Romao, Valdemar Lacerda Jr, Vagner T. de Queiroz, Robson R. Teixeira, Adilson Costaa
Summary: This study synthesized eugenol-fluorinated triazole derivatives with fungicidal activity, and compound 3d showed the best inhibitory activity, which may serve as a template for further structural modifications.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2022)
