Orbital: The Electronic Journal of Chemistry最新文献_第6页

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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-10-03 DOI: 10.17807/orbital.v14i3.15597

F. Passamani, Isadora Auróra Guerra, P. Filgueiras, B. A. Santos, A. S. Gonçalves

{"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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-10-02 DOI: 10.17807/orbital.v14i3.17431

Maria do Socorro Mascarenhas, M. Batistote, C. Cardoso

{"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

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Orbital: The Electronic Journal of Chemistry 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

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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-10-01 DOI: 10.17807/orbital.v14i3.17429

Younus H. Khalaf, B. Al-Zaidi, Zaidoon M. Shakour

{"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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-10-01 DOI: 10.17807/orbital.v14i3.17430

Thiago Luis Aguayo de Castro, Gleice Américo do Carmo Pinto, C. Cardoso

{"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

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Orbital: The Electronic Journal of Chemistry 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

{"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

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Orbital: The Electronic Journal of Chemistry 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

{"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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-07-10 DOI: 10.17807/orbital.v14i2.16224

P. Monte, J. Barros, Tiago Lima da Silva

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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-07-09 DOI: 10.17807/orbital.v14i2.16222

Luca D'Ottone

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

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Orbital: The Electronic Journal of Chemistry Pub Date : 2022-07-08 DOI: 10.17807/orbital.v14i2.16217

B. Abdallah, M. Kakhia, W. Zetoun

{"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