Journal of the Brazilian Chemical Society最新文献_第8页

Larvicidal Activity of Calcium Alginate Microcapsules Containing Clove Essential Oil Obtained by Microfluidics 丁香精油海藻酸钙微胶囊的杀幼虫活性研究

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230029

D. Conde, L. Mendes, Guilherme Ramos, Rafael G. Silva, Á. Teixeira, R. Teixeira, Gustavo Martins, C. Cerceau, R. Lopes

{"title":"Larvicidal Activity of Calcium Alginate Microcapsules Containing Clove Essential Oil Obtained by Microfluidics","authors":"D. Conde, L. Mendes, Guilherme Ramos, Rafael G. Silva, Á. Teixeira, R. Teixeira, Gustavo Martins, C. Cerceau, R. Lopes","doi":"10.21577/0103-5053.20230029","DOIUrl":"https://doi.org/10.21577/0103-5053.20230029","url":null,"abstract":"Essential oils (EO) have diverse applications, such as antibacterial and antifungal activity. However, they are susceptible to oxidation in the presence of air, light, and moisture. In addition, they are thermally unstable. In this sense, it is necessary to develop techniques to increase the lifespan of EO. In this work, EO was obtained from cloves and characterized by different techniques. The major compounds found were eugenol (83%), eugenol acetate (9%), and β-caryophyllene (8%). The EO was encapsulated by extrusion using a microfluidic device. The sodium alginate was used as wall material, and the CaCl2 solution was used as a crosslinking agent. The microcapsule presented sizes of 164.7 ± 0.3 µm, with an encapsulation yield of 64 ± 14%. Functional characteristic groups of EO were observed in the microcapsule by infrared and Raman spectroscopies. The microcapsule increased the thermal decomposition of the EO from 162 to 230 °C. Release kinetics of the capsule was performed, with an equilibrium time of 72 h and release of 54% of the EO. Finally, the pure EO and encapsulated EO-microcapsules were applied in the Aedes aegypti larvae control, showing mean lethal concentration necessary to eliminate 50% (LC50) values of 74.4 and 96.9 µg mL-1 and lethal concentration necessary to eliminate 90% (LC90) of 106.2 and 133.3 µg mL-1 for pure EO and encapsulated EO, respectively. Therefore, it was concluded that these microcapsules have the potential for application in the Aedes aegypti larvae control.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68332680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

COVID-19 Infection Changes the Functions and Morphology of Erythrocytes: A Multidisciplinary Study COVID-19感染改变红细胞功能和形态:一项多学科研究

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230031

Marcos V. S. Sales, E. Tanabe, T. Maciel, M. Tavares, Juliana Leal, L. Pinto, Keyla S. N. Pires, Jorge Coelho, E. Silva, Samuel Souza, E. Fonseca, Thiago Fragoso, Thiago Aquino, A. Borbely, U. Rocha, Josué Santos, A. C. Leite

{"title":"COVID-19 Infection Changes the Functions and Morphology of Erythrocytes: A Multidisciplinary Study","authors":"Marcos V. S. Sales, E. Tanabe, T. Maciel, M. Tavares, Juliana Leal, L. Pinto, Keyla S. N. Pires, Jorge Coelho, E. Silva, Samuel Souza, E. Fonseca, Thiago Fragoso, Thiago Aquino, A. Borbely, U. Rocha, Josué Santos, A. C. Leite","doi":"10.21577/0103-5053.20230031","DOIUrl":"https://doi.org/10.21577/0103-5053.20230031","url":null,"abstract":"Hematological problems are associated with Coronavirus disease 2019 (COVID-19). Respiratory impairment is the higher point studied, although without experimental studies related to the oxygen transport performed by erythrocytes. Therefore, we decided to investigate if erythrocytes from COVID-19 patients have their functionality changed. The case-control study included hospitalized patients with a positive real-time polymerase chain reaction (RT-PCR) result admitted to University Hospital. Volunteers (negative RT-PCR results) were recruited as a control group. Thus, we assessed different erythrocytes parameters, oxidative stress markers, and biophysical studies using whole blood and isolated hemoglobin. We found a decrease of 51% in oxygen uptake and reduced antioxidant enzyme activity in COVID-19 patients compared to controls. Raman spectrometry showed structural changes in the hemoglobin and lipids of the erythrocytes from COVID-19 patients; thus, these results were consolidated with an increase in Young’s modulus in erythrocytes followed by morphology changes. Besides, isolated hemoglobin from COVID-19 patients has a distinct interaction profile using a ligand model compared to the control. COVID-19 leads to structural, functional, and morphological damage to human erythrocytes. Our data showed structural and molecular changes and induction of oxidative stress in erythrocytes by COVID-19, a new perspective on the contribution of erythrocytes to a respiratory commitment in COVID-19.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68332733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Hybrid Molecularly Imprinted Polymer for Selective Adsorption of Urinary S-Phenylmercapturic Acid 一种用于选择性吸附尿S-苯巯基尿酸的杂化分子印迹聚合物

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230032

Rafaela Gomes, Marina Tonucci, M. Prete, C. Tarley, B. Baeta, R. Afonso

引用次数: 0

Mechanism and Kinetics of The Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity 羟基自由基降解硝唑嗪和羟氯喹药物的机理和动力学：生态毒性的理论探讨

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230025

F. Sanches-Neto, N. Coutinho, V. Aquilanti, W. Silva, V. Carvalho-Silva

{"title":"Mechanism and Kinetics of The Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity","authors":"F. Sanches-Neto, N. Coutinho, V. Aquilanti, W. Silva, V. Carvalho-Silva","doi":"10.21577/0103-5053.20230025","DOIUrl":"https://doi.org/10.21577/0103-5053.20230025","url":null,"abstract":"The efforts of contrasting the effects caused by the Covid-19 (coronavirus disease 2019) pandemic increased the disposal of active pharmaceutical ingredients. This paper reports the mechanisms and kinetics of the degradation in aqueous environments induced by  OH of two drugs, among those most widely probed at the outbreak of coronavirus, nitazoxanide and hydroxychloroquine. The investigation exploits quantum chemistry techniques and a reaction rate theory combined with diffusion-controlled processes and quantum mechanical tunneling. The reaction rate constants are obtained in an environmentally relevant temperature range. The results show that (i) the deacetylation of nitazoxanide with formation of tizoxanide is kinetically the most favorable channel, in agreement with experimental work; (ii) for hydroxychloroquine, the present theoretical calculations show that the most favorable channel is the addition of  OH at the aromatic ring. The half-life time degradation products are for both cases in the range between 12 to 138 days. Both drugs presented toxicities between harmful and toxic as obtained by computational toxicology calculations: The toxicity is also calculated for the degradation products: (i) in the nitazoxanide degradation process, tizoxanide was characterized as more toxic, while (ii) in the case of hydroxychloroquine, the major degradation product showed a decrease in the toxicity.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68331860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Residual Lignocellulosic Biomass in the Production of HMF HMF生产过程中残留的木质纤维素生物量

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-07-24 DOI: 10.21577/0103-5053.20230020

C. Godoy, P. Valderrama, Andreia Furtado, M. Boroski

{"title":"Residual Lignocellulosic Biomass in the Production of HMF","authors":"C. Godoy, P. Valderrama, Andreia Furtado, M. Boroski","doi":"10.21577/0103-5053.20230020","DOIUrl":"https://doi.org/10.21577/0103-5053.20230020","url":null,"abstract":"5-Hydroxymethylfurfural (HMF) can be obtained from the dehydration of monosaccharides present in biomass, which helps add value to the raw material. The present work sought to study the relationship between the parameters of biomass characterization, including the content of reducing sugars, total soluble solids and the mid-infrared (MIR) and near-infrared (NIR) spectra, and the formation of HMF after synthesis. A thorough analysis was conducted in order to evaluate the residual agricultural biomass samples from sugarcane bagasse, corn stover, cassava branch, banana pseudostem and mango fruits after the drying (45 ºC maximum) and ball mill grinding pre-processing procedure. HMF synthesis was performed using 0.50 mol L-1 HCl and n-butanol as extracting solvent. The analytical quantification of HMF and furfural (co-product of synthesis) was performed using high-performance liquid chromatography coupled to diode-array detector (HPLC-DAD). The highest efficiency of the synthesis of HMF was observed for the mango fruits (55.0 kg ton-1) and sugarcane bagasse biomass (47.5 kg ton-1) samples. The application of data fusion and principal component analysis (PCA) allowed us to identify the samples with greater potential for HMF synthesis.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"70 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68329784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Water-in-Oil Pickering Emulsions Stabilized by Divalent Metal Phenylphosphonate Particles 苯基膦酸二价金属颗粒稳定油包水酸洗乳状液

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-06-23 DOI: 10.21577/0103-5053.20230002

V.V.S. Machado, Lilian Fernanda Martins do Amaral, A. Sotiles, R. D. de Freitas, F. Wypych

{"title":"Water-in-Oil Pickering Emulsions Stabilized by Divalent Metal Phenylphosphonate Particles","authors":"V.V.S. Machado, Lilian Fernanda Martins do Amaral, A. Sotiles, R. D. de Freitas, F. Wypych","doi":"10.21577/0103-5053.20230002","DOIUrl":"https://doi.org/10.21577/0103-5053.20230002","url":null,"abstract":"Phenylphosphonates of zinc (Zn-PPh), calcium (Ca-PPh) and magnesium (Mg-PPh) were synthesized by the hydrothermal method. Samples showed characteristic X-ray diffraction (XRD) patterns of layered compounds with basal spacing in the range of 14-15 Å. According to Fourier transform infrared spectroscopy (FTIR), all compositions showed the presence of characteristic bands attributed to phenyl aromatic rings, phosphonate and lattice metal-oxygen (M-O) vibrations. Different concentrations of phenylphosphonate particles were applied to stabilize water-in-oil Pickering emulsions using vaseline oil in different w/o fractions. The three particle types showed greater affinity for the oil phase (wettability) and the ability to stabilize the emulsions via the Pickering effect. Ca-PPh particles contained a greater emulsified fraction after 20 days of evaluation. This result can be attributed to the particle morphology observed by scanning electron microscopy (SEM). The fibrous morphology of Ca-PPh particles is believed to increase the steric hindrance effect at the surface around the droplets, while the Zn-PPh and Mg-PPh layered particles tended to form clusters.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68328712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Differences in the Chemical Composition of Melon (Cucumis melo L.) Nectar Explain Flower Gender Preference by Its Pollinator, Apis mellifera 甜瓜花蜜化学成分的差异解释了授粉子Apis mellifera对花的性别偏好

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-06-23 DOI: 10.21577/0103-5053.20230010

N. Fernandes, Lícia Luz, E. A. Alves Filho, F. A. de Aragão, G. Zocolo, B. Freitas

{"title":"Differences in the Chemical Composition of Melon (Cucumis melo L.) Nectar Explain Flower Gender Preference by Its Pollinator, Apis mellifera","authors":"N. Fernandes, Lícia Luz, E. A. Alves Filho, F. A. de Aragão, G. Zocolo, B. Freitas","doi":"10.21577/0103-5053.20230010","DOIUrl":"https://doi.org/10.21577/0103-5053.20230010","url":null,"abstract":"Melon is a pollinator-dependent crop that relies mainly on bees to set fruits. However, manselected varieties vary in their attractiveness to flower visitors, and some flower genders and melon types may be less visited than others, harming pollination. We investigated the nectar composition of male, female and hermaphrodite flowers of 270 individuals of five commercial melons Cucumis melo (Cantaloupe, Charentais, Galia, Piel de Sapo, and Yellow), and its role in flower visit by Apis mellifera foragers. We found that melon nectar is composed mainly of sugars and amino acids such as tyrosine, phenylalanine, tryptophan, and flavonoids kaempferol3-O-neohesperidoside, luteolin hexoside, and kaempferol rhamnoside. But the amount of these chemical compounds varies among the flower genders. We also developed an accurate regression model to predict the number of bee visits to melon flowers based on the nectar composition. Our results indicate that nectar composition plays little role in bee discrimination among flowers of different melon types but is essential to the honeybee choice between flower gender. The amounts of phenylalanine (49.40%) and tryptophan (12.05%) in the nectar are related to bee preference for hermaphrodite flowers. More visits to hermaphrodite flowers contribute to setting and developing well-formed fruits, increasing productivity.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68329281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Photochemical Pre-Treatment to Quantify Iron in Thin Films 薄膜中铁定量的光化学预处理

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-06-23 DOI: 10.21577/0103-5053.20230008

Rafael L. Germscheidt, C. Morais, Danielle Francischini, M. Arruda, J. Bonacin

引用次数: 0

Study of Manganese Laurate as Adsorbing Matrix for Undecan-2-one: Factors Affecting Adsorption for Application in Controlled-Release of Pheromones 月桂酸锰作为十一烷-2-酮吸附基质的研究：影响吸附的因素及其在信息素控释中的应用

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-06-23 DOI: 10.21577/0103-5053.20230009

Anderson Figueiredo de Carvalho, Mirelly Fonseca, D. Vidal, A. Cursino, D. Firak, Fábio Lisboa

{"title":"Study of Manganese Laurate as Adsorbing Matrix for Undecan-2-one: Factors Affecting Adsorption for Application in Controlled-Release of Pheromones","authors":"Anderson Figueiredo de Carvalho, Mirelly Fonseca, D. Vidal, A. Cursino, D. Firak, Fábio Lisboa","doi":"10.21577/0103-5053.20230009","DOIUrl":"https://doi.org/10.21577/0103-5053.20230009","url":null,"abstract":"One of the greatest challenges faced by agriculture is the use of agrochemicals and the balance between food production and environmental problems associated with the excessive use of these substances. To overcome this issue, pheromones have been used to trap pests that harm crops. This work reports the use of a layered monocarboxylate, manganese laurate (MnL2), as adsorbing matrix for undecan-2-one (methyl nonyl ketone (MNK)), one of the components of the pheromone of the insect Lobiopa insularis, which is a pest in the strawberry cultivar. The manganese laurate was synthesized by a coprecipitation method and was later characterized using X-ray diffractometry, vibrational spectroscopy, thermogravimetric analysis, and differential scanning calorimetry. The characterization techniques showed that MNK was adsorbed in the manganese laurate structure in a range of 0.08 to 1.13 mg g-1, and this interaction was investigated in a factorial design experiment, in which the variables temperature, time of contact, and matrix:MNK ratio were investigated. A negative effect of increasing temperatures was observed and attributed to substrate volatilization. The adsorption was favored in increasing molar ratios and times of contact, and ideal conditions for the adsorption could be found, indicating that manganese laurate could be applied in controlledrelease tests.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68329629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fitting Structure-Data Files (.SDF) Libraries to Progenesis QI Identification Searches 将结构数据文件（.SDF）库与进化QI标识搜索拟合

IF 1.4 4区化学

Journal of the Brazilian Chemical Society Pub Date : 2023-06-23 DOI: 10.21577/0103-5053.20230016

P. Sanches, Danilo de Oliveira, Ivan dos Reis, A. Fernandes, Alex Silva, Marcos Eberlin, P. Carvalho, Gustavo Duarte, A. Porcari

引用次数: 0