Article
Chemistry, Physical
Zahra Moheb-Aleaba, Mohammad Reza Khosravi-Nikou
Summary: Extractive desulfurization using ionic liquids has attracted attention due to its simplicity and easy operating conditions. However, the selection of suitable cations and anions remains a challenge. This study developed a methodology to screen cation and anion molecules for maximum sulfur removal efficiency. Through genetic algorithm and principal component analysis, it was determined that certain imidazolium and pyridinium cations combined with specific anions are promising for extractive desulfurization. The selected ionic liquid, [HMPY][N(CN)2], was synthesized and evaluated, showing potential as a solvent for removing DBT or BT from n-heptane.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Analytical
Celina Monzon, Sonia Schoneich, Robert E. Synovec
Summary: The study used GC-GC-TOFMS and PCA to investigate the effects of farming pacu fish with rice fields on the metabolome of the fish. The majority of metabolites were found to be downregulated in the farmed fish, with some involved in important metabolic processes such as protein catabolism, nucleotide metabolism, and tissue repair.
MICROCHEMICAL JOURNAL
(2021)
Article
Forestry
Lina Karlinasari, Noviyanti, Y. Aris Purwanto, Muhammad Majiidu, Fifi G. Dwiyanti, Mohamad Rafi, Ratih Damayanti, Essy Harnelly, Iskandar Z. Siregar
Summary: This study used NIR spectroscopy to discriminate between ebony wood samples from different origins on Celebes island and develop quantitative models to predict the extractive content. The results showed differences in extractive content among ebony wood from different regions, particularly between West and South Celebes. Potential use of PLS regression models based on wood meal spectra for estimating extractive contents was suggested.
Article
Engineering, Chemical
Zahra Moheb-Aleaba, Mohammad Reza Khosravi-Nikou
Summary: This study developed a new methodology for screening suitable cation and anion molecules to achieve maximum sulfur removal efficiency. The best structural descriptors were selected using Genetic Algorithm, and then the most proper cations and anions were chosen using Principal Component Analysis (PCA). It was concluded that ionic liquids with imidazolium and pyridinium cations with hexyl chain, combined with [N(CN)2] and [Ac] anions, are promising extraction solvents for desulfurization.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2023)
Article
Food Science & Technology
Robina Rai, Poonam Rani, Punyadarshini Punam Tripathy
Summary: In this study, osmotic dehydration was used as a pretreatment to banana slices before hot air drying, and the effect of parameters on characteristics and color was analyzed. Response surface methodology was applied to optimize the osmotic dehydration process for banana slices and the optimum conditions were determined. The association between moisture content and bioactive components was found to be positively correlated during osmo-air drying process.
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE
(2022)
Article
Chemistry, Applied
Enya Silva de Oliveira, Luciano Morais Liao, Andressa Kuhnen Silva, Cristiano Sales Prado, Marcelo Martins Sena, Gerlon de Almeida Ribeiro Oliveira
Summary: Free-range chickens and barn-raised broilers have distinct metabolic profiles, and a univariate model based on t-test ranking was found to be simpler and more robust for classification. Barn-raised broilers had lower carnosine and anserine concentrations and higher free amino acid contents. This profiling method could be adapted to other measurement platforms.
Article
Statistics & Probability
Ian Jolliffe
Summary: Principal component analysis (PCA) is a widely used multivariate technique that has played a significant role in the author's career and beyond. The author believes that sharing their 50-year journey with PCA is a suitable topic for the Jubilee Issue of JMVA.
JOURNAL OF MULTIVARIATE ANALYSIS
(2022)
Article
Biochemical Research Methods
Kuangnan Fang, Rui Ren, Qingzhao Zhang, Shuangge Ma
Summary: Dimension reduction techniques like PCA, PLS, and CCA are extensively used in the analysis of high-dimensional omics data. Integrative analysis, which outperforms meta-analysis and individual-data analysis, has been developed for multiple datasets with compatible designs. We developed the R package iSFun to facilitate integrative dimension reduction analysis, offering comprehensive analysis options under different models and penalties.
Article
Plant Sciences
Branislava Teofilovic, Nevena Grujic-Letic, Milica Karadzic, Strahinja Kovacevic, Sanja Podunavac-Kuzmanovic, Emilia Gligoric, Slobodan Gadzuri
Summary: This study investigated the chemical composition of basil extracts and the influence of extraction conditions and methods on their content of phenolic compounds, which are the main functional ingredients with antioxidant activity. Using HPLC analysis, it was found that different extraction methods affect the concentration of phenolic acids and flavonoids, with some methods leading to higher levels of rosmarinic acid and quercetin. Chemometric analysis identified the most effective experimental procedure and provided insights into the grouping of extracted ingredients.
SOUTH AFRICAN JOURNAL OF BOTANY
(2021)
Article
Spectroscopy
Daniel Holub, Jakub Buday, Pavel Porizka, Jozef Kaiser
Summary: The usage of plastics has steadily increased over the last few decades, but earlier production methods often involved the use of potentially toxic materials, including heavy metals like arsenic, cadmium, chromium (VI), mercury, and lead. Recently, various directives have been put in place to control the levels of these hazardous materials in plastic products, including those made from recycled polymer waste. This paper explores the use of Laser Induced Breakdown Spectroscopy (LIBS) as a reliable and efficient method for quantifying lead content in post-consumer recycled materials. The results showed an accuracy of over 90% and a relative precision of 86% using standard multivariate chemometric techniques.
SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
(2023)
Article
Construction & Building Technology
Aschalew Kassu
Summary: This study uses Raman spectroscopy coupled with chemometrics analysis to monitor gypsum's hydration and dehydration process. The results demonstrate the capability of the Raman spectroscopy, the chemometric techniques used, and the analysis of variances for distinguishing and monitoring gypsum's hydration and dehydration process.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Chemistry, Applied
Emmanuelle Ferreira Requiao Silva, Bruna Rosa da Silva Santos, Lucas Almir Cavalcante Minho, Geovani Cardoso Brandao, Marcio de Jesus Silva, Mariangela Vieira Lopes Silva, Walter Nei Lopes dos Santos, Ana Maria Pinto dos Santos
Summary: This study evaluated the mineral composition, centesimal composition, and lead content in pine nut seeds from five Brazilian states. The results showed significant nutrient losses in cooked samples compared to raw samples.
Article
Chemistry, Analytical
Jacek Baranski, Aleksandra Suchta, Sylwia Baranska, Ivan Klement, Tatiana Vilkovska, Peter Vilkovsky
Summary: The impregnation process of pine wood samples was found to have a significant impact on electrical resistance changes and moisture-content measurement accuracy. Impregnated wood samples with copper salt showed higher conductivity compared to nonimpregnated samples, especially when the wood moisture content was significantly above the Fibre Saturation Point (FSP).
Article
Food Science & Technology
Xing Xin, Sinemobong Essien, Kiri Dell, Meng Wai Woo, Saeid Baroutian
Summary: Transforming liquid smoke into powder form through spray-drying or freeze-drying processes effectively retains bioactive compounds and provides convenience for use and storage. Spray-drying is suitable for large-scale production, while freeze-drying can optimize the encapsulation efficiency of bioactive compounds.
FOOD AND BIOPROCESS TECHNOLOGY
(2022)
Article
Computer Science, Artificial Intelligence
Pei Li, Wenlin Zhang, Chengjun Lu, Rui Zhang, Xuelong Li
Summary: A novel robust kernel principal component analysis method with optimal mean (RKPCA-OM) is proposed to enhance the robustness of KPCA by automatically eliminating the optimal mean. The theoretical proof guarantees the convergence of the algorithm and the obtained optimal subspaces and means. Exhaustive experimental results validate the superiority of the proposed method.
Article
Energy & Fuels
Dayana A. Rodrigues, Antonio J. Demuner, Luiz C. A. Barbosa, Gustavo A. M. Pereira, Jose D. Fabris, Felix G. de Siqueira, Marcio T. Pereira, Abelardo Silva Junior, Otavio V. Carvalho
Summary: Both pressing and solvent extraction of Jatropha curcas seed oil produce a large amount of cake byproduct, which contains the highly toxic phorbol esters (PEs) that threaten mammal health. Various treatments, including ammonium hydroxide, urea, heat, ultraviolet radiation, and gamma radiation, were tested for their effectiveness in degrading PEs. It was found that an aqueous ammonium hydroxide solution at 70 degrees C and 3% w/w reduced the PEs content in the cake and bran to as low as 0.084 mg g(-1). The treatment with an aqueous solution NH4OH 7% w/w with heating at 90 degrees C was the most effective, reducing PEs content to 0.063 mg g(-1) (cake) and 0.066 mg g(-1) (bran), below the critical toxicity threshold of 0.1 mg g(-1). Cytotoxicity tests and nutritional assessments confirmed the safety of the treated samples, suggesting that this affordable technology could be scalable for livestock feeding at the industrial level.
BIOMASS CONVERSION AND BIOREFINERY
(2023)
Article
Engineering, Chemical
Thaise C. Geremias, Marcos A. Batistella, Ricardo R. S. Magini, Selene M. A. Guelli U. de Souza, Cesar V. Franco, Luiz C. A. Barbosa, Ulisses A. Pereira, Juan P. Hinestroza, Andrea L. Pimenta, Antonio A. Ulson de Souza
Summary: The study aimed to investigate the efficacy of functionalized PLGA electrospun membranes in preventing Streptococcus mutans biofilm formation. Additives such as Melaleuca alternifolia essential oil, furan-2(5H)-one, and a synthetic butyrolactam were used for functionalization, with Melaleuca alternifolia essential oil showing the best results in reducing bacterial attachment. Cytotoxicity tests revealed that furan-2(5H)-one-functionalized membranes had comparable cell viability to control membranes.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Food Science & Technology
Silas de Souza Santos, Lucas Victor Pereira de Freitas, Lazaro Chaves Sicupira, Flaviano Oliveira Silverio
Summary: By using a novel sample preparation method and GC-MS analysis, this study successfully determined the levels of Aldrin and Mirex in honey samples. The proposed method showed high recovery rates, accuracy, and precision meeting the standard requirements. Residue of Aldrin was detected in samples collected from areas influenced by agricultural activities.
FOOD ANALYTICAL METHODS
(2022)
Article
Biochemistry & Molecular Biology
Junio G. Silva, Amanda S. de Miranda, Fyaz M. D. Ismail, Luiz C. A. Barbosa
Summary: Butenolides and tetronic acids are widely distributed in nature, making them important in synthetic chemistry. In contrast, tetronamides are relatively rare and their synthetic routes are poorly explored. This review emphasizes the importance of tetronamides in medicinal chemistry and provides an overview of the most relevant synthetic strategies for obtaining these compounds.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Environmental Sciences
Luis H. S. Vieira, Lazaro C. Sicupira, Ane P. Cacique, Flaviano O. Silverio
Summary: This study developed a method for the extraction and analysis of florpyrauxifen-benzyl in water samples. The method utilized liquid-liquid extraction with low temperature purification, coupled with high performance liquid chromatography with diode array detection. The method was selective, precise, and had a wide linear range, making it suitable for quantitative analysis of florpyrauxifen-benzyl in environmental monitoring.
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES
(2022)
Article
Biochemistry & Molecular Biology
Gottimukkala Rambabu, Yarragudi Bathal Reddy Kiran, Yadamari Tarakeswar, Shaik Ibrahim Khalivulla, Luiz Claudio Almeida Barbosa, Vijayaparthasarathi Vijayakumar
Summary: An efficient and reusable green catalyst has been developed for the synthesis of beta-anninocarbonyl compounds. Molecular docking investigations showed strong interactions between the compounds and specific proteins. The compounds exhibited significant antibacterial and antioxidant activities, indicating their potential as new drugs.
CHEMISTRY & BIODIVERSITY
(2022)
Article
Biochemistry & Molecular Biology
Junio G. Silva, Tatiane F. Borgati, Samuel M. G. Lopes, Niels Heise, Sophie Hoenke, Rene Csuk, Luiz C. A. Barbosa
Summary: A series of amides derived from (3aR)-(+)-sclareolide were synthesized and evaluated as inhibitors for AChE or BuChE. Five amides showed strong inhibition towards BuChE, outperforming the positive control galantamine, and exhibited favorable properties for drug development, including permeability across the blood brain barrier and adherence to Lipinski rules.
BIOORGANIC CHEMISTRY
(2023)
Article
Entomology
Paula Tatiana Lopes Seixas, Antonio Jacinto Demuner, Luiz Claudio Almeida Barbosa, Cristiane Isaac Cerceau, Daiane Einhardt Blank, Marcelo Henrique Dos Santos, Elizeu de Sa Farias, Marcelo Coutinho Picanco
Summary: The larvicidal effect of essential oils from the leaves of three Artemisia species against A. aegypti was evaluated. The EO of Artemisia camphorata was found to be the most effective, with germacrene D-4-ol as the main active constituent. It can be promising for developing natural larvicides against A. aegypti.
JOURNAL OF APPLIED ENTOMOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Junai C. S. Lopes, Lazaro C. Sicupira, Flaviano O. Silverio
Summary: Florpyrauxifen-benzyl is a new active ingredient authorized by Brazilian legislation for weed control in rice cultivation. This study optimized and validated a solid-liquid extraction with low temperature purification (SLE-LTP) method coupled with HPLC-DAD for determining the presence of Florpyrauxifen-benzyl in soil. The method was found to be precise, accurate, and selective, with a limit of quantification of 20 μg kg(-1). The stability study showed that Florpyrauxifen-benzyl has a half-life of approximately 17.5 days in soil.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2023)
Article
Environmental Sciences
Sandro B. Soares, Lazaro C. Sicupira, Gevany P. Pinho, Flaviano O. Silverio
Summary: This study aimed to optimize and validate liquid-liquid extraction with low temperature purification (LLE-LTP) for the determination of dinotefuran residues in water. The results demonstrated that LLE-LTP coupled with HPLC-DAD was a selective, precise, and accurate method for analyzing dinotefuran in water samples. The method showed good linearity, with a range from 10.0 to 210 μg/L, and had low limits of detection and quantification of 5.00 and 10.00 μg/L, respectively. Additionally, dinotefuran was found to be stable in water for a significant period of time in the absence of light (>130 days), but had a shorter half-life of 7 days in water with sunlight.
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES
(2023)
Article
Chemistry, Multidisciplinary
Sweta Roy, Jaime A. M. Acosta, Milandip Karak, Isabela Ramirez-Velez, Kohei Torikai, Dacheng Ren, Luiz C. A. Barbosa
Summary: The study found that certain synthesized tetronamides and denigrin compounds have significant inhibitory effects on biofilm formation of Escherichia coli, with the p-methoxybenzylidene and p-methoxyphenethyl moieties of denigrins playing important roles. Specifically, tetramethyldenigrin B exhibited strong inhibitory activity against biofilm formation and quorum sensing, making it a promising lead structure for designing better control agents.
Article
Food Science & Technology
Giovana Ribeiro Ferreira, Paulo Henrique Fidencio, Ariane Castricini, Raissa Queiroz Andrade, Flaviano Oliveira Silverio
Summary: This study analyzed the volatile organic compounds from Spondias tuberosa fruits using HS-SPME and GC-MS. The main compounds identified were esters and terpenes, which formed distinct groups. PCA and HCA analyses were used to distinguish and group these compounds.
FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Horticulture
Giovana Ribeiro Ferreira, Raissa Queiroz Andrade, Ariane Castricini, Flaviano Oliveira Silverio
Summary: This study identified and extracted the volatile compounds in umbu fruit pulp using solid-phase microextraction in headspace mode. The results provide insights into the aroma and nutritional properties of this fruit.
REVISTA BRASILEIRA DE FRUTICULTURA
(2022)
Article
Chemistry, Analytical
Lucas Victor Pereira de Freitas, Gleysson de Paula Terra, Silas de Souza Santos, Lazaro Chaves Sicupira, Flaviano Oliveira Silverio
Summary: This study optimized and validated a liquid-liquid extraction method with low-temperature purification (LLE-LTP) coupled with high-performance liquid chromatography with diode array detection (HPLC-DAD) for determining fluopyram fungicide in water samples. The validation showed that this method is selective, precise, and accurate, and is capable of trace level determination of this fungicide. Fluopyram residue was not detected in 20 environmental water samples.
ANALYTICAL METHODS
(2022)
Article
Food Science & Technology
Giovana Ribeiro Ferreira, Paulo Henrique Fidencio, Ariane Castricini, Raisa Queiroz Andrade, Flaviano Oliveira Silverio
Summary: The study investigated the chemical composition of volatile compounds in Spondias tuberosa fruits at four days of maturity, revealing an increase in esters content and a decrease in aldehyde and terpene content during post-harvest ripening. Specific compounds such as ethyl butanoate and hex-2-enal were identified as markers for fruit maturity, showing differentiation in fruit ripening stages through principal components analysis.
FOOD SCIENCE AND TECHNOLOGY
(2022)