首页 > 最新文献

Orbital: The Electronic Journal of Chemistry最新文献

英文 中文
The Use of Factorial Planning in the Investigation of Structural Electronics Property for the Rational Design of Benzophenone Derivatives 阶乘规划在二苯甲酮衍生物结构电子性质研究中的应用
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-10-03 DOI: 10.17807/orbital.v14i3.15597
F. Passamani, Isadora Auróra Guerra, P. Filgueiras, B. A. Santos, A. S. Gonçalves
Human exposure to ultraviolet (UV) radiation leads photochemical excitation processes in the skin, causing problems to human health. The use of photoprotectors helps to minimize these intrinsic hazards. Benzophenone molecules stand out for the absorption of energy in the UVA and UVB range and structural changes in these, it is an area of ​​interest to obtain safer and more effective molecules. This work applied the full factorial design methodology 24 in an investigation by molecular modeling using semi-empirical method PM7, in order to evaluate the impact generated on the decrease of the energy GAP with the insertion of OH (level +) and H (level –-). The results showed unfavorable and favorable contributions between interactions and in the main effect, and the compounds disubstituted in ortho and para position for the same aromatic ring showed a better percentage of contribution, indicating that these conditions are relevant for greater reactivity compared to the others. Thus, we conclude that the use of the experimental planning methodology is an ally in obtaining information for planning new protective filtersmore stable and safe.
人体暴露于紫外线(UV)辐射导致皮肤光化学激发过程,对人体健康造成问题。使用光保护器有助于减少这些内在的危害。二苯甲酮分子在UVA和UVB范围内的能量吸收和结构变化非常突出,因此获得更安全、更有效的分子是一个值得关注的领域。本研究采用全因子设计方法24,采用半经验方法PM7进行分子建模,以评估OH(水平+)和H(水平——)的插入对能量GAP降低的影响。结果表明,在相互作用和主效应中,对反应有有利和不利的贡献,其中邻位和对位取代的化合物对同一芳环的贡献百分比更高,表明这些条件与更高的反应性有关。因此,我们得出结论,使用实验规划方法是获得信息的一个重要途径,以规划更稳定和安全的新保护滤波器。
{"title":"The Use of Factorial Planning in the Investigation of Structural Electronics Property for the Rational Design of Benzophenone Derivatives","authors":"F. Passamani, Isadora Auróra Guerra, P. Filgueiras, B. A. Santos, A. S. Gonçalves","doi":"10.17807/orbital.v14i3.15597","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.15597","url":null,"abstract":"Human exposure to ultraviolet (UV) radiation leads photochemical excitation processes in the skin, causing problems to human health. The use of photoprotectors helps to minimize these intrinsic hazards. Benzophenone molecules stand out for the absorption of energy in the UVA and UVB range and structural changes in these, it is an area of ​​interest to obtain safer and more effective molecules. This work applied the full factorial design methodology 24 in an investigation by molecular modeling using semi-empirical method PM7, in order to evaluate the impact generated on the decrease of the energy GAP with the insertion of OH (level +) and H (level –-). The results showed unfavorable and favorable contributions between interactions and in the main effect, and the compounds disubstituted in ortho and para position for the same aromatic ring showed a better percentage of contribution, indicating that these conditions are relevant for greater reactivity compared to the others. Thus, we conclude that the use of the experimental planning methodology is an ally in obtaining information for planning new protective filtersmore stable and safe.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43295914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Use of UV-vis Spectroscopy Technique for Investigation of Organic Compounds in Saccharine Substrates 紫外可见光谱技术在糖精底物中有机化合物研究中的应用
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-10-02 DOI: 10.17807/orbital.v14i3.17431
Maria do Socorro Mascarenhas, M. Batistote, C. Cardoso
Sugar substrates are rich in organic compounds. However, its concentration may vary depending on the culture. Thus, the objective of this work was to evaluate the composition of sugarcane and sorghum juices using the UV-vis technique. An evaluation of the composition of the substrates was carried out and a pre-inoculum with YPSAC 5% medium, where 0.10 grams of FT858 yeast was inoculated and kept incubated at 30°C for 24h at 250rpm. The cells were recovered by centrifugation, resulting in a concentration of 10 mg mL-1 of wet mass that was inoculated into 50 mL of the previously prepared fermentation medium with a concentration of 22°Brix and pH 5.0. Aliquots were taken for evaluation of molecular absorption spectra using a spectrophotometer (Global Trade Technology). These substrates are composed of water and fermentable sugars. The evaluation of the molecular absorption spectra showed a difference in the profile of the substrates as well as in the subsequent hours of fermentation, with a decrease in the intensity of the peaks being observed that may be related to the absorption of nutrients by the yeast. vis shows promise for this type of analysis.
糖底物含有丰富的有机化合物。然而,其浓度可能因文化而异。因此,本研究的目的是利用紫外-可见技术对甘蔗和高粱汁的成分进行评价。对底物组成进行评价,用YPSAC 5%培养基预接种,接种0.10 g FT858酵母,在30℃、250rpm下孵育24h。通过离心回收细胞,得到浓度为10 mg mL-1的湿团,接种到50 mL先前制备的发酵培养基中,浓度为22°Brix, pH为5.0。采用等分分光光度计(Global Trade Technology)评估分子吸收光谱。这些底物由水和可发酵的糖组成。分子吸收光谱的评估表明,在底物的轮廓以及随后的发酵时间中,观察到的峰强度下降,这可能与酵母吸收营养物质有关。Vis显示了这种分析的前景。
{"title":"The Use of UV-vis Spectroscopy Technique for Investigation of Organic Compounds in Saccharine Substrates","authors":"Maria do Socorro Mascarenhas, M. Batistote, C. Cardoso","doi":"10.17807/orbital.v14i3.17431","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.17431","url":null,"abstract":"Sugar substrates are rich in organic compounds. However, its concentration may vary depending on the culture. Thus, the objective of this work was to evaluate the composition of sugarcane and sorghum juices using the UV-vis technique. An evaluation of the composition of the substrates was carried out and a pre-inoculum with YPSAC 5% medium, where 0.10 grams of FT858 yeast was inoculated and kept incubated at 30°C for 24h at 250rpm. The cells were recovered by centrifugation, resulting in a concentration of 10 mg mL-1 of wet mass that was inoculated into 50 mL of the previously prepared fermentation medium with a concentration of 22°Brix and pH 5.0. Aliquots were taken for evaluation of molecular absorption spectra using a spectrophotometer (Global Trade Technology). These substrates are composed of water and fermentable sugars. The evaluation of the molecular absorption spectra showed a difference in the profile of the substrates as well as in the subsequent hours of fermentation, with a decrease in the intensity of the peaks being observed that may be related to the absorption of nutrients by the yeast. vis shows promise for this type of analysis.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41376269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New Findings Regarding the Thermal Oxidation and Biomimetic Depositions on the Corrosion Resistance of the Ti-6Al-4V Alloy 热氧化和仿生沉积对Ti-6Al-4V合金耐蚀性的影响
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-10-02 DOI: 10.17807/orbital.v14i3.15904
Carolina Aurélia Ribeiro Maestro, Alysson Helton Santo Bueno, Roseli Marins Balestra, Artur Mariano de Sousa Malafaia, J. Moreto
Our research group has been working on the surface functionalization of Ti-6Al-4V alloy by using thermal oxidation followed by CaP and Bi-CaP biomimetic depositions. In this short communication, we present new insights into the corrosion behaviour of the treated system by using potentiodynamic polarization tests. Our results demonstrated lower values of electric current density for the CaP specimens when compared to the Bi-CaP, indicating a tendency for the CaP samples to remake the passive film. Another reasonable explanation may be related to the displacement of CaP particles or the formation of corrosion products that partially block the pores of the coating. Morphological analyzes of all treated surfaces after the potentiodynamic polarization tests also suggest the improvement of the corrosion resistance of the Ti-6Al-4V alloy.
本课题组一直致力于Ti-6Al-4V合金的表面功能化,采用热氧化、CaP和Bi-CaP仿生沉积的方法。在这个简短的通信中,我们提出了新的见解,通过使用动电位极化测试处理系统的腐蚀行为。我们的研究结果表明,与Bi-CaP相比,CaP样品的电流密度值较低,表明CaP样品有重塑钝化膜的趋势。另一个合理的解释可能与CaP颗粒的位移或腐蚀产物的形成有关,这些腐蚀产物部分阻塞了涂层的孔隙。动电位极化试验后各处理表面的形貌分析也表明Ti-6Al-4V合金的耐蚀性有所提高。
{"title":"New Findings Regarding the Thermal Oxidation and Biomimetic Depositions on the Corrosion Resistance of the Ti-6Al-4V Alloy","authors":"Carolina Aurélia Ribeiro Maestro, Alysson Helton Santo Bueno, Roseli Marins Balestra, Artur Mariano de Sousa Malafaia, J. Moreto","doi":"10.17807/orbital.v14i3.15904","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.15904","url":null,"abstract":"Our research group has been working on the surface functionalization of Ti-6Al-4V alloy by using thermal oxidation followed by CaP and Bi-CaP biomimetic depositions. In this short communication, we present new insights into the corrosion behaviour of the treated system by using potentiodynamic polarization tests. Our results demonstrated lower values of electric current density for the CaP specimens when compared to the Bi-CaP, indicating a tendency for the CaP samples to remake the passive film. Another reasonable explanation may be related to the displacement of CaP particles or the formation of corrosion products that partially block the pores of the coating. Morphological analyzes of all treated surfaces after the potentiodynamic polarization tests also suggest the improvement of the corrosion resistance of the Ti-6Al-4V alloy.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43355029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and Kinetic Study of the Effect of using Zr- and Pt-loaded Metals on Y-zeolite-based Catalyst to Improve the Products of n-heptane Hydroisomerization Reactions 负载Zr和pt的金属在y型沸石催化剂上改善正庚烷加氢异构反应产物的实验和动力学研究
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-10-01 DOI: 10.17807/orbital.v14i3.17429
Younus H. Khalaf, B. Al-Zaidi, Zaidoon M. Shakour
The escalating cost of Pt metal has prompted researchers to incorporate other metals into Pt/catalysts to reduce the amount of Pt. In this work, several bimetallic Pt-Zr/HY-zeolite catalysts were prepared by incorporating small amounts of the inexpensive Zr into the Pt/HY-zeolite to form an active and selective catalyst. Results showed that although half of the required platinum metal was used, the catalytic activity of the prepared Pt-Zr/HY bimetallic catalyst was higher than that of the monometallic (Pt or Zr)/HY catalysts, as a result of the improved Lewis acidity of that catalyst that resulted from the addition of the Zr metal; additionally, the branched alkanes' yield also increased. The optimum catalyst was bimetallic, containing 0.5 wt% Pt + 0.5 wt% Zr, which achieved the highest yield of isomers at 70.2 mol%, along with 82.61 and 84.98 mol% for conversion and selectivity, respectively, under 1 MPa and 250°C reaction conditions. In addition, the hydroisomerization reaction kinetic model was achieved, giving good predicted results in agreement with the experimental calculations, with an acceptable relative error. It was found that lower activation energies (about 44.5 kJ/mol) were needed for olefin hydrogenation to iso-paraffins, while higher activation energies were required for i-paraffin hydrocracking (about 138.1kJ/mol).
Pt金属成本的不断上涨促使研究人员将其他金属掺入Pt/催化剂中以减少Pt的含量。在这项工作中,通过将少量廉价的Zr掺入Pt/HY沸石中以形成活性和选择性催化剂,制备了几种双金属Pt-Zr/HY沸石催化剂。结果表明,尽管使用了所需铂金属的一半,但所制备的Pt-Zr/HY双金属催化剂的催化活性高于单金属(Pt或Zr)/HY催化剂,这是由于添加Zr金属提高了催化剂的路易斯酸性;此外,支链烷烃的产率也有所提高。最佳催化剂为双金属催化剂,含有0.5wt%的Pt+0.5wt%的Zr,在1MPa和250°C的反应条件下,异构体的最高产率为70.2mol%,转化率和选择性分别为82.61和84.98mol%。此外,还建立了加氢异构化反应动力学模型,预测结果与实验计算结果一致,相对误差可接受。烯烃加氢制异链烷烃需要较低的活化能(约44.5kJ/mol),而异链烷烃加氢裂化需要较高的活化能,约138.1kJ/mol。
{"title":"Experimental and Kinetic Study of the Effect of using Zr- and Pt-loaded Metals on Y-zeolite-based Catalyst to Improve the Products of n-heptane Hydroisomerization Reactions","authors":"Younus H. Khalaf, B. Al-Zaidi, Zaidoon M. Shakour","doi":"10.17807/orbital.v14i3.17429","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.17429","url":null,"abstract":"The escalating cost of Pt metal has prompted researchers to incorporate other metals into Pt/catalysts to reduce the amount of Pt. In this work, several bimetallic Pt-Zr/HY-zeolite catalysts were prepared by incorporating small amounts of the inexpensive Zr into the Pt/HY-zeolite to form an active and selective catalyst. Results showed that although half of the required platinum metal was used, the catalytic activity of the prepared Pt-Zr/HY bimetallic catalyst was higher than that of the monometallic (Pt or Zr)/HY catalysts, as a result of the improved Lewis acidity of that catalyst that resulted from the addition of the Zr metal; additionally, the branched alkanes' yield also increased. The optimum catalyst was bimetallic, containing 0.5 wt% Pt + 0.5 wt% Zr, which achieved the highest yield of isomers at 70.2 mol%, along with 82.61 and 84.98 mol% for conversion and selectivity, respectively, under 1 MPa and 250°C reaction conditions. In addition, the hydroisomerization reaction kinetic model was achieved, giving good predicted results in agreement with the experimental calculations, with an acceptable relative error. It was found that lower activation energies (about 44.5 kJ/mol) were needed for olefin hydrogenation to iso-paraffins, while higher activation energies were required for i-paraffin hydrocracking (about 138.1kJ/mol).","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49118175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A Systematic Review of the Photoprotective Potential of Native Edible Plants from Mato Grosso do Sul, Brazil 巴西南马托格罗索州本地食用植物光保护潜力的系统综述
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-10-01 DOI: 10.17807/orbital.v14i3.17430
Thiago Luis Aguayo de Castro, Gleice Américo do Carmo Pinto, C. Cardoso
The state of Mato Grosso do Sul (Brazil) has a rich biodiversity, with varied biomes and many native species. Simultaneously, the plants in the region have been studied for their chemical and biological potential, including photoprotective properties and applications in phytocosmetics. Edible plants have potential application based on the presence of photoprotective and antioxidant compounds in their chemical composition. In this context, the aim was to review systematically studies on the photoprotective action of native food plants from Mato Grosso do Sul in the Scopus database, delimiting for articles published between 2000 and 2020. Only 4.08% of the species presented articles exploring the photoprotective activity, distributed in 10 articles. The extracts evaluated were varied, with different formulations. 40% of the articles addressed ethanolic extracts, 20% hydroethanolic extracts, and 40% vegetable fixed oil. The lowest sun protection factor reported was for the aqueous extract of the fruit pulp of Hymenaea martian Hayne (SPF 0.66) and the highest was for a formulation using Schinus terebinthifolius Radi extracts added to Lanette cream (SPF 32.40). The native food plants of Mato Grosso do Sul are still little explored regarding their photoprotective action, with a lack of in vivo studies.
南马托格罗索州(巴西)拥有丰富的生物多样性,有各种各样的生物群落和许多本地物种。同时,研究了该地区植物的化学和生物学潜力,包括光保护特性和植物化妆品的应用。食用植物的化学成分中含有光保护和抗氧化化合物,具有潜在的应用前景。在此背景下,目的是系统地回顾Scopus数据库中关于南马托格罗索州本地食用植物光保护作用的研究,以2000年至2020年发表的文章为界。仅有4.08%的种有研究光防护活性的文章,分布在10篇。评价的提取物种类繁多,配方不同。40%的文章涉及乙醇提取物,20%的文章涉及氢乙醇提取物,40%的文章涉及植物固定油。报告的防晒系数最低的是水提物,其防晒系数为0.66,最高的是添加在Lanette霜中的Schinus terebinthifolius Radi提取物,防晒系数为32.40。南马托格罗索州的本地食用植物仍然很少探讨其光保护作用,缺乏体内研究。
{"title":"A Systematic Review of the Photoprotective Potential of Native Edible Plants from Mato Grosso do Sul, Brazil","authors":"Thiago Luis Aguayo de Castro, Gleice Américo do Carmo Pinto, C. Cardoso","doi":"10.17807/orbital.v14i3.17430","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.17430","url":null,"abstract":"The state of Mato Grosso do Sul (Brazil) has a rich biodiversity, with varied biomes and many native species. Simultaneously, the plants in the region have been studied for their chemical and biological potential, including photoprotective properties and applications in phytocosmetics. Edible plants have potential application based on the presence of photoprotective and antioxidant compounds in their chemical composition. In this context, the aim was to review systematically studies on the photoprotective action of native food plants from Mato Grosso do Sul in the Scopus database, delimiting for articles published between 2000 and 2020. Only 4.08% of the species presented articles exploring the photoprotective activity, distributed in 10 articles. The extracts evaluated were varied, with different formulations. 40% of the articles addressed ethanolic extracts, 20% hydroethanolic extracts, and 40% vegetable fixed oil. The lowest sun protection factor reported was for the aqueous extract of the fruit pulp of Hymenaea martian Hayne (SPF 0.66) and the highest was for a formulation using Schinus terebinthifolius Radi extracts added to Lanette cream (SPF 32.40). The native food plants of Mato Grosso do Sul are still little explored regarding their photoprotective action, with a lack of in vivo studies.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41854438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Analysis of Factors Involving Drinking Water Contamination by Glyphosate and/or Nitrate in Urban Areas 城市地区草甘膦和/或硝酸盐污染饮用水的因素分析
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-09-27 DOI: 10.17807/orbital.v14i3.17386
S. Dovidauskas, I. A. Okada, F. R. dos Santos, M. Okada, Rita de Cássia Briganti, M. A. Souto
This study investigated factors that could be related to drinking water contamination in urban areas in order to obtain quality profiles that characterized presence of the glyphosate and nitrate contaminants. Thus, in a period of one year, 4,853 tap water samples from 89 cities in the northeastern region of the State of São Paulo, Brazil, were analyzed in 21 physicochemical and 2 microbiological parameters. Additionally, 4 demographic variables were also included in multivariate data analysis. Principal Component Analysis of physicochemical and microbiological data showed that glyphosate concentration is positively correlated with nitrate concentration, especially in cities that make exclusive use of groundwater, besides correlating with conductivity and with concentrations of calcium, magnesium, fluoride, chloride, phosphate and free residual chlorine. The inclusion of demographic variables in Principal Component Analysis did not significantly change waters physicochemical profiles, but in cities that exclusive use groundwater for public supply the number of hospitalizations for diarrhea correlated positively with glyphosate, nitrate and chloride concentrations, in addition to conductivity. Linear Discriminant Analysis models involving 5 variables (conductivity and concentrations of calcium, magnesium, chloride and nitrate) were able to predict the cities vulnerability to groundwater contamination by nitrate.
本研究调查了可能与城市地区饮用水污染有关的因素,以获得表征草甘膦和硝酸盐污染物存在的质量概况。因此,在一年的时间里,来自巴西圣保罗州东北部地区89个城市的4,853个自来水样本进行了21个理化参数和2个微生物参数的分析。此外,在多变量数据分析中还纳入了4个人口统计学变量。理化和微生物主成分分析数据表明,草甘膦浓度与硝酸盐浓度呈正相关,特别是在地下水专用城市,除了与电导率和钙、镁、氟化物、氯化物、磷酸盐和游离余氯浓度相关外。在主成分分析中纳入人口统计变量并没有显著改变水体的物理化学特征,但在公共供水只使用地下水的城市中,除电导率外,腹泻住院人数与草甘膦、硝酸盐和氯化物浓度呈正相关。基于电导率、钙、镁、氯、硝酸盐浓度等5个变量的线性判别分析模型能够预测城市地下水硝酸盐污染脆弱性。
{"title":"Analysis of Factors Involving Drinking Water Contamination by Glyphosate and/or Nitrate in Urban Areas","authors":"S. Dovidauskas, I. A. Okada, F. R. dos Santos, M. Okada, Rita de Cássia Briganti, M. A. Souto","doi":"10.17807/orbital.v14i3.17386","DOIUrl":"https://doi.org/10.17807/orbital.v14i3.17386","url":null,"abstract":"This study investigated factors that could be related to drinking water contamination in urban areas in order to obtain quality profiles that characterized presence of the glyphosate and nitrate contaminants. Thus, in a period of one year, 4,853 tap water samples from 89 cities in the northeastern region of the State of São Paulo, Brazil, were analyzed in 21 physicochemical and 2 microbiological parameters. Additionally, 4 demographic variables were also included in multivariate data analysis. Principal Component Analysis of physicochemical and microbiological data showed that glyphosate concentration is positively correlated with nitrate concentration, especially in cities that make exclusive use of groundwater, besides correlating with conductivity and with concentrations of calcium, magnesium, fluoride, chloride, phosphate and free residual chlorine. The inclusion of demographic variables in Principal Component Analysis did not significantly change waters physicochemical profiles, but in cities that exclusive use groundwater for public supply the number of hospitalizations for diarrhea correlated positively with glyphosate, nitrate and chloride concentrations, in addition to conductivity. Linear Discriminant Analysis models involving 5 variables (conductivity and concentrations of calcium, magnesium, chloride and nitrate) were able to predict the cities vulnerability to groundwater contamination by nitrate.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44235230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and Solvatochromism of Oxazolone Derivative: Combining Organic Synthesis and Physical Organic Chemistry in a Single Experiment 恶唑酮衍生物的合成与溶剂致变色:有机合成与物理有机化学的结合
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-07-17 DOI: 10.17807/orbital.v14i2.16293
Taianne D’Angelo Korb, Lucia Helena Franco Martires Da Costa, Mauricio Ferreira Da Rosa
This work presents a proposal of experimental activity involving organic synthesis and solvatochromism of an organic molecule, correlating the content of organic chemistry and physical organic chemistry. This experiment presents a good opportunity to work with the classroom some of the content related to the mechanisms of organic reactions and the relationship between energy, electronic states, solute-solvent interactions, spectroscopy, among others in the area of physical chemistry, thus integrating knowledge. Experimentally, we synthesized through the Plöchl-Erlenmeyer method the oxazolonic derivative 4-[(p-N,N-dimethylamino)benzylidene]-2-phenyloxazole-5-one (AZA2) with good yield (78%), while the solvatochromic study showed that this derivative presented reverse solvatochromism; since in non-hydroxyl solvents it presented positive solvatochromism, but in protic solvents it presented negative solvatochromism. These different behaviors can be justified by the different solute-solvent interactions existing in each medium, which favors the prevalence of different mesomeric structures.
这项工作提出了一项涉及有机合成和有机分子溶剂化色度的实验活动,将有机化学和物理有机化学的内容联系起来。这个实验提供了一个很好的机会,可以在课堂上学习与有机反应机制以及能量、电子态、溶质-溶剂相互作用、光谱学等物理化学领域的关系有关的一些内容,从而整合知识。实验上,我们通过Plöchl-Elenmeyer方法合成了恶唑酮衍生物4-[(p-N,N-二甲基氨基)亚苄基]-2-苯基恶唑-5-酮(AZA2),产率高(78%),而溶剂化变色研究表明,该衍生物具有反溶剂化变色性;因为在非羟基溶剂中它呈现正的溶剂合色性,而在质子溶剂中它则呈现负的溶剂化色性。这些不同的行为可以通过每种介质中存在的不同的溶质-溶剂相互作用来证明,这有利于不同的介孔结构的普遍存在。
{"title":"Synthesis and Solvatochromism of Oxazolone Derivative: Combining Organic Synthesis and Physical Organic Chemistry in a Single Experiment","authors":"Taianne D’Angelo Korb, Lucia Helena Franco Martires Da Costa, Mauricio Ferreira Da Rosa","doi":"10.17807/orbital.v14i2.16293","DOIUrl":"https://doi.org/10.17807/orbital.v14i2.16293","url":null,"abstract":"This work presents a proposal of experimental activity involving organic synthesis and solvatochromism of an organic molecule, correlating the content of organic chemistry and physical organic chemistry. This experiment presents a good opportunity to work with the classroom some of the content related to the mechanisms of organic reactions and the relationship between energy, electronic states, solute-solvent interactions, spectroscopy, among others in the area of physical chemistry, thus integrating knowledge. Experimentally, we synthesized through the Plöchl-Erlenmeyer method the oxazolonic derivative 4-[(p-N,N-dimethylamino)benzylidene]-2-phenyloxazole-5-one (AZA2) with good yield (78%), while the solvatochromic study showed that this derivative presented reverse solvatochromism; since in non-hydroxyl solvents it presented positive solvatochromism, but in protic solvents it presented negative solvatochromism. These different behaviors can be justified by the different solute-solvent interactions existing in each medium, which favors the prevalence of different mesomeric structures.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48555838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Let's Talk About Stereochemistry for a Moment: a Home Experiment Conducted with College Students in Social Isolation 让我们暂时谈谈立体化学:一项针对处于社会孤立状态的大学生的家庭实验
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-07-10 DOI: 10.17807/orbital.v14i2.16224
P. Monte, J. Barros, Tiago Lima da Silva
Due to COVID-19, we are adjusting to a new educational environment while also being socially isolated. By combining previously established ways of remote education with video conferences, the world is creating a new sector termed techno-pedagogy. The concept of stereochemistry in Organic Chemistry is frequently difficult to understand even in classroom teaching. Plane-polarized light rotation is difficult to describe because it needs a high level of abstraction in the mental exercise. As a result, we propose in this work that technology be developed to teach stereochemistry remotely. As a result, we prepared a training video that shows college students how to execute a hand-made stereochemistry experiment. Lecturers, undergraduates, and graduate students all gave the video great scores.
由于新冠肺炎,我们正在适应新的教育环境,同时也处于社会孤立状态。通过将以前建立的远程教育方式与视频会议相结合,世界正在创建一个新的部门,称为技术教育学。有机化学中的立体化学概念即使在课堂教学中也经常难以理解。平面偏振光旋转很难描述,因为它在心理锻炼中需要高度抽象。因此,我们在这项工作中建议开发远程教授立体化学的技术。因此,我们准备了一个培训视频,向大学生展示如何进行手工立体化学实验。讲师、本科生和研究生都给视频打了高分。
{"title":"Let's Talk About Stereochemistry for a Moment: a Home Experiment Conducted with College Students in Social Isolation","authors":"P. Monte, J. Barros, Tiago Lima da Silva","doi":"10.17807/orbital.v14i2.16224","DOIUrl":"https://doi.org/10.17807/orbital.v14i2.16224","url":null,"abstract":"Due to COVID-19, we are adjusting to a new educational environment while also being socially isolated. By combining previously established ways of remote education with video conferences, the world is creating a new sector termed techno-pedagogy. The concept of stereochemistry in Organic Chemistry is frequently difficult to understand even in classroom teaching. Plane-polarized light rotation is difficult to describe because it needs a high level of abstraction in the mental exercise. As a result, we propose in this work that technology be developed to teach stereochemistry remotely. As a result, we prepared a training video that shows college students how to execute a hand-made stereochemistry experiment. Lecturers, undergraduates, and graduate students all gave the video great scores.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41647784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Confusion Between Intravenous Sodium Chloride and Potassium Chloride: A Potential Application for a Problem Based Learning (PBL) in Nursing Education to Minimize Medication Errors 静脉注射氯化钠和氯化钾的混淆:基于问题的学习(PBL)在护理教育中的潜在应用,以减少用药错误
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-07-09 DOI: 10.17807/orbital.v14i2.16222
Luca D'Ottone
Sodium chloride and potassium chloride are two metal halides easily distinguishable by chemistry students.  Nevertheless, it has been shown that the confusion between sodium chloride and potassium chloride is the underlaying cause of serious medical mistakes that may potentially culminate with the death of the patient.  In the present literature review, a qualitative approach is used to examine relevant teaching practices, such as a problem base learning (PBL) approach that could be integrated in the undergraduate chemistry curriculum for nursing students to minimize the confusion between the two chemicals.
氯化钠和氯化钾是化学专业学生很容易区分的两种金属卤化物。然而,研究表明,氯化钠和氯化钾之间的混淆是导致严重医疗错误的根本原因,这些错误可能最终导致患者死亡。在本文献综述中,使用了定性方法来检查相关的教学实践,例如可以将基于问题的学习(PBL)方法整合到护理学生的本科化学课程中,以最大限度地减少两种化学物质之间的混淆。
{"title":"The Confusion Between Intravenous Sodium Chloride and Potassium Chloride: A Potential Application for a Problem Based Learning (PBL) in Nursing Education to Minimize Medication Errors","authors":"Luca D'Ottone","doi":"10.17807/orbital.v14i2.16222","DOIUrl":"https://doi.org/10.17807/orbital.v14i2.16222","url":null,"abstract":"Sodium chloride and potassium chloride are two metal halides easily distinguishable by chemistry students.  Nevertheless, it has been shown that the confusion between sodium chloride and potassium chloride is the underlaying cause of serious medical mistakes that may potentially culminate with the death of the patient.  In the present literature review, a qualitative approach is used to examine relevant teaching practices, such as a problem base learning (PBL) approach that could be integrated in the undergraduate chemistry curriculum for nursing students to minimize the confusion between the two chemicals.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41636475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and Morphological Study of PbS:ZnO Nanowires Films Deposited Using Thermal Evaporation Method 热蒸发法制备PbS:ZnO纳米线薄膜的结构与形貌研究
IF 0.6 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-07-08 DOI: 10.17807/orbital.v14i2.16217
B. Abdallah, M. Kakhia, W. Zetoun
We obtained ZnO Nanowires films deposited on two types of substrate (Si (100) and glass) with 12 wt % PbS as dopant by simple thermal evaporation technique. High Resolution Transmission Electron Microscopy (HRTEM) and Energy-dispersive X-ray spectroscopy(EDX) images have confirmed the formation of ZnO Nanowires (NWs). EDX technique was used to investigate the elements content (standard analysis and mapping modes). Morphology and thickness of the films were investigated from surface and cross section of the films via Scanning Electron Microscopy (SEM) images. The Raman, photoluminescence (PL) and X-ray Diffraction (XRD) have confirmed the hexagonal phase structure of the ZnO Nanowires, which appeared to be very fine and their diameters were less than 40 nm and their lengths were of several micrometers using SEM and HRTEM. The effect of PbS as dopant on the growth of ZnO Nanowires as well as on the morphology for two substrates was investigated and compared. These Nanowires films could be applied in several fields. Mapping -EDX has confirmed the stoichiometry of prepared films. Finally, the structure (phase) was verified by different characterization techniques. The optoelectronic application of Nanostructures film will be study later.
采用简单的热蒸发技术,以12wt %的PbS为掺杂剂,在两种衬底(Si(100)和玻璃)上制备了ZnO纳米线薄膜。高分辨率透射电子显微镜(HRTEM)和能量色散x射线光谱(EDX)图像证实了ZnO纳米线(NWs)的形成。采用EDX技术测定元素含量(标准分析和制图模式)。通过扫描电镜(SEM)对膜的表面和横截面形貌和厚度进行了研究。拉曼光谱、光致发光(PL)和x射线衍射(XRD)证实了ZnO纳米线的六方相结构,SEM和HRTEM显示其非常细,直径小于40 nm,长度为几微米。研究并比较了PbS作为掺杂剂对ZnO纳米线生长和两种衬底形貌的影响。这些纳米线薄膜可应用于多个领域。测绘-EDX证实了制备膜的化学计量学。最后,采用不同的表征技术对其结构(相)进行了验证。纳米结构薄膜的光电应用将在后面进行研究。
{"title":"Structural and Morphological Study of PbS:ZnO Nanowires Films Deposited Using Thermal Evaporation Method","authors":"B. Abdallah, M. Kakhia, W. Zetoun","doi":"10.17807/orbital.v14i2.16217","DOIUrl":"https://doi.org/10.17807/orbital.v14i2.16217","url":null,"abstract":"We obtained ZnO Nanowires films deposited on two types of substrate (Si (100) and glass) with 12 wt % PbS as dopant by simple thermal evaporation technique. High Resolution Transmission Electron Microscopy (HRTEM) and Energy-dispersive X-ray spectroscopy(EDX) images have confirmed the formation of ZnO Nanowires (NWs). EDX technique was used to investigate the elements content (standard analysis and mapping modes). Morphology and thickness of the films were investigated from surface and cross section of the films via Scanning Electron Microscopy (SEM) images. The Raman, photoluminescence (PL) and X-ray Diffraction (XRD) have confirmed the hexagonal phase structure of the ZnO Nanowires, which appeared to be very fine and their diameters were less than 40 nm and their lengths were of several micrometers using SEM and HRTEM. The effect of PbS as dopant on the growth of ZnO Nanowires as well as on the morphology for two substrates was investigated and compared. These Nanowires films could be applied in several fields. Mapping -EDX has confirmed the stoichiometry of prepared films. Finally, the structure (phase) was verified by different characterization techniques. The optoelectronic application of Nanostructures film will be study later.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2022-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47727871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Orbital: The Electronic Journal of Chemistry
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1