Using the Hydrothermal technique, a series of trivalent Ce3+/Ho3+co-doped LaPO4 nanophosphors were synthesised and exhibited good luminous qualities in both the (UC) and (DC) regimes. At 279–300 nm excitation, DC peaks at 365 nm, 460, 542, and 650 nm were seen, along with a minor non-radiative resonance energy transfer and a highly hazy P-O Charge Transfer (CT) band of Ho3+ions. We find that the (UC) nanophosphor LaPO4: Ce3+/Ho3+allows a strong 980 nm laser stimulation, causing the UC emission spectra to exhibit prominent Ho3+ ion resulting in peaks at 460, 542 and 650 nm as well as weak emission peaks at 300–360 nm. Future applications for these co-doped Ce3+ and Ho3+ ion monoclinic LaPO4 nanocrystals are anticipated to include better optical materials. Ultimately, many potential uses in various industries, from sophisticated display technologies to biomedical imaging and beyond, are made possible by the production and characterisation of co-doped Ce3+/Ho3+ ion nanophosphors in LaPO4 matrices. The realisation of useful systems and technologies utilising the special qualities of these nanocrystals may result from more study and development in these fields.
{"title":"Ce3+/Ho3+ doped LaPO4 nanomaterials produced by hydrothermal technique for luminescence studies using ethylene glycol (EG)","authors":"Girija Venkateswara Koneru , Venkata Nagendra Kumar Putta , Sirisha Bandi","doi":"10.1016/j.cdc.2024.101145","DOIUrl":"10.1016/j.cdc.2024.101145","url":null,"abstract":"<div><p>Using the Hydrothermal technique, a series of trivalent Ce<sup>3+</sup>/Ho<sup>3+</sup>co-doped LaPO<sub>4</sub> nanophosphors were synthesised and exhibited good luminous qualities in both the (UC) and (DC) regimes. At 279–300 nm excitation, DC peaks at 365 nm, 460, 542, and 650 nm were seen, along with a minor non-radiative resonance energy transfer and a highly hazy P-O Charge Transfer (CT) band of Ho<sup>3+</sup>ions. We find that the (UC) nanophosphor LaPO<sub>4</sub>: Ce<sup>3+</sup>/Ho<sup>3+</sup>allows a strong 980 nm laser stimulation, causing the UC emission spectra to exhibit prominent Ho<sup>3+</sup> ion resulting in peaks at 460, 542 and 650 nm as well as weak emission peaks at 300–360 nm. Future applications for these co-doped Ce<sup>3+</sup> and Ho<sup>3+</sup> ion monoclinic LaPO<sub>4</sub> nanocrystals are anticipated to include better optical materials. Ultimately, many potential uses in various industries, from sophisticated display technologies to biomedical imaging and beyond, are made possible by the production and characterisation of co-doped Ce<sup>3+</sup>/Ho<sup>3+</sup> ion nanophosphors in LaPO<sub>4</sub> matrices. The realisation of useful systems and technologies utilising the special qualities of these nanocrystals may result from more study and development in these fields.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141137865","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}
Pub Date : 2024-05-14DOI: 10.1016/j.cdc.2024.101143
Ragini L. Minagalavar , S.K. Rajappa , Manohar R. Rathod , Ashok M. Sajjan
The current study focuses on investigating the corrosion-inhibitory characteristics of the Schiff base (E)-N-benzylidene-4-nitrobenzenamine. The efficacy of the compound in preventing mild steel (MS) corrosion in a 1 M HCl solution was assessed using mass loss, potentiodynamic polarization, and electrochemical impedance spectroscopy techniques (EIS). In addition, measurements of polarization resistance suggested that the substance functions as a mixed-type inhibitor, primarily functioning as a cathodic inhibitor. EIS revealed that the compound impedes corrosion by increasing the charge transfer resistance at the interfaces between the metal and solution. The (E)-N-benzylidene-4-nitrobenzenamine compound conformed to the Langmuir adsorption isotherm. Additional confirmation of the development of a protective layer on MS surfaces was established through examinations using SEM (Scanning Electron Microscopy), and AFM (Atomic Force Microscopy). DFT (Density Functional Theory) studies and MD simulations were utilized to augment comprehension of corrosion inhibition mechanisms and adsorption characteristics.
目前的研究重点是调查希夫碱 (E)-N-benzylidene-4-nitrobenzenamine 的腐蚀抑制特性。使用质量损失、电位极化和电化学阻抗光谱技术(EIS)评估了该化合物在 1 M HCl 溶液中防止低碳钢(MS)腐蚀的功效。此外,极化电阻的测量结果表明,该物质是一种混合型抑制剂,主要起阴极抑制作用。EIS 显示,该化合物通过增加金属和溶液界面的电荷转移电阻来阻碍腐蚀。(E)-N-亚苄基-4-硝基苯胺化合物符合朗缪尔吸附等温线。通过使用 SEM(扫描电子显微镜)和 AFM(原子力显微镜)进行检测,进一步证实了在 MS 表面形成了保护层。还利用密度泛函理论(DFT)研究和 MD 模拟来加深对腐蚀抑制机制和吸附特性的理解。
{"title":"Corrosion mitigation of (E)-N-benzylidene-4-nitrobenzenamine on mild steel in acidic medium: Experimental and Theoretical Analysis","authors":"Ragini L. Minagalavar , S.K. Rajappa , Manohar R. Rathod , Ashok M. Sajjan","doi":"10.1016/j.cdc.2024.101143","DOIUrl":"10.1016/j.cdc.2024.101143","url":null,"abstract":"<div><p>The current study focuses on investigating the corrosion-inhibitory characteristics of the Schiff base (E)-N-benzylidene-4-nitrobenzenamine. The efficacy of the compound in preventing mild steel (MS) corrosion in a 1 M HCl solution was assessed using mass loss, potentiodynamic polarization, and electrochemical impedance spectroscopy techniques (EIS). In addition, measurements of polarization resistance suggested that the substance functions as a mixed-type inhibitor, primarily functioning as a cathodic inhibitor. EIS revealed that the compound impedes corrosion by increasing the charge transfer resistance at the interfaces between the metal and solution. The (E)-N-benzylidene-4-nitrobenzenamine compound conformed to the Langmuir adsorption isotherm. Additional confirmation of the development of a protective layer on MS surfaces was established through examinations using SEM (Scanning Electron Microscopy), and AFM (Atomic Force Microscopy). DFT (Density Functional Theory) studies and MD simulations were utilized to augment comprehension of corrosion inhibition mechanisms and adsorption characteristics.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141050512","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}
Pub Date : 2024-05-09DOI: 10.1016/j.cdc.2024.101142
Swagata Kalita, Jasdeep Kaur, Akhil Saxena
The potential anti-corrosion effect of Erythrina Variegata Linn leaf extract on steel in 0.5 M H2SO4 solution is investigated in this work. On the steel surface, the extract created a layer of protection, which showed maximal efficiency in resisting the corrosion at 88.88%, this was particularly evident at a 1000 mg/L concentration. To verify its potential to inhibit corrosion, a range of analytical methods were used, such as UV, SEM, phytochemical screening, electrochemical measurements, and quantum chemical investigations. The presence of double bonds and heteroatoms in the chemical constituent is responsible for inhibiting corrosion. Instrumentation such as UV analysis provides detailed insights into molecular interactions, aiding in the understanding of inhibitive mechanisms. The corrosion inhibition capacity rises up on increasing Erythrina Variegata Linn till 1000 ppm. Based upon quantum chemical calculations, 6‑hydroxy genistein has more adsorption capacity than Alpinum Isoflavone. This investigation determined the potential utility of Erythrina Variegata Linn leaf extract as a sustainable, environmentally benign inhibitor of steel corrosion in harsh environments like 0.5 M H2SO4.
本研究调查了 Erythrina Variegata Linn 叶提取物在 0.5 M H2SO4 溶液中对钢材的潜在防腐效果。在钢表面,萃取物形成了一层保护层,其最大抗腐蚀效率为 88.88%,这在 1000 mg/L 的浓度下尤为明显。为了验证其抑制腐蚀的潜力,研究人员使用了一系列分析方法,如紫外线、扫描电镜、植物化学筛选、电化学测量和量子化学研究。化学成分中双键和杂原子的存在是抑制腐蚀的原因。紫外线分析等仪器可以详细了解分子间的相互作用,有助于对缓蚀机理的理解。Erythrina Variegata Linn 的缓蚀能力随着浓度的增加而上升,直到 1000 ppm。根据量子化学计算,6-羟基染料木素的吸附能力高于异黄酮。这项研究确定了红景天叶提取物作为一种可持续的、对环境无害的钢铁腐蚀抑制剂在 0.5 M H2SO4 等恶劣环境中的潜在用途。
{"title":"Use of Erythrina Variegata Linn as green corrosion inhibitor for steel in 0.5 M Sulphuric acid","authors":"Swagata Kalita, Jasdeep Kaur, Akhil Saxena","doi":"10.1016/j.cdc.2024.101142","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101142","url":null,"abstract":"<div><p>The potential anti-corrosion effect of <em>Erythrina Variegata Linn</em> leaf extract on steel in 0.5 M H<sub>2</sub>SO<sub>4</sub> solution is investigated in this work. On the steel surface, the extract created a layer of protection, which showed maximal efficiency in resisting the corrosion at 88.88%, this was particularly evident at a 1000 mg/L concentration. To verify its potential to inhibit corrosion, a range of analytical methods were used, such as UV, SEM, phytochemical screening, electrochemical measurements, and quantum chemical investigations. The presence of double bonds and heteroatoms in the chemical constituent is responsible for inhibiting corrosion. Instrumentation such as UV analysis provides detailed insights into molecular interactions, aiding in the understanding of inhibitive mechanisms. The corrosion inhibition capacity rises up on increasing <em>Erythrina Variegata Linn</em> till 1000 ppm. Based upon quantum chemical calculations, 6‑hydroxy genistein has more adsorption capacity than Alpinum Isoflavone. This investigation determined the potential utility of <em>Erythrina Variegata Linn</em> leaf extract as a sustainable, environmentally benign inhibitor of steel corrosion in harsh environments like 0.5 M H<sub>2</sub>SO<sub>4.</sub></p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140947156","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}
Pub Date : 2024-04-30DOI: 10.1016/j.cdc.2024.101140
H. Zarrok , S. Daoui , N. Benzbiria , A. Barrahi , F. Benhiba , M. Galai , M. Ebn Touhami , I. Warad , K. Karrouchi , N. Benchat , A. Zarrouk
The assessment of the corrosion inhibitory efficacy of two novel pyridine derivatives, specifically (E)-2-(5-(2-chlorobenzyl)-6-oxo-3-styrylpyridazin-1(6H)-yl)acetic acid (CO4) and (E)-6-(4-hydroxystyryl)pyridazin-3(2H)-one (CO38), was conducted through Numerous methods, such as Potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis, UV–visible spectroscopy, and theoretical calculations, were used to evaluate the effectiveness in preventing corrosion for carbon steel (C.S). In response to the increasing demand for environmentally friendly and biodegradable products, CO38 and CO4 inhibitors were used. Tests revealed that CO38 and CO4 inhibitory efficacy increased with concentration, reaching 96.2 % and 93.7 %, respectively. In a 1 M HCl solution, PDP investigations demonstrated that these inhibitors act as mixed-type inhibitors. Scanning electron microscopy (SEM) revealed the creation of protective layers that prevent C.S dissolution in the acid solution. These findings were supported by theoretical investigations that employed density functional theory (DFT) and molecular dynamics (MD) simulations.
{"title":"Study of the inhibition of carbon steel corrosion by two pyridazin derivatives in 1 M HCl: Experimental study and theoretical approach✰","authors":"H. Zarrok , S. Daoui , N. Benzbiria , A. Barrahi , F. Benhiba , M. Galai , M. Ebn Touhami , I. Warad , K. Karrouchi , N. Benchat , A. Zarrouk","doi":"10.1016/j.cdc.2024.101140","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101140","url":null,"abstract":"<div><p>The assessment of the corrosion inhibitory efficacy of two novel pyridine derivatives, specifically (E)-2-(5-(2-chlorobenzyl)-6-oxo-3-styrylpyridazin-1(6H)-yl)acetic acid (CO4) and (E)-6-(4-hydroxystyryl)pyridazin-3(2H)-one (CO38), was conducted through Numerous methods, such as Potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis, UV–visible spectroscopy, and theoretical calculations, were used to evaluate the effectiveness in preventing corrosion for carbon steel (C.S). In response to the increasing demand for environmentally friendly and biodegradable products, CO38 and CO4 inhibitors were used. Tests revealed that CO38 and CO4 inhibitory efficacy increased with concentration, reaching 96.2 % and 93.7 %, respectively. In a 1 M HCl solution, PDP investigations demonstrated that these inhibitors act as mixed-type inhibitors. Scanning electron microscopy (SEM) revealed the creation of protective layers that prevent C.S dissolution in the acid solution. These findings were supported by theoretical investigations that employed density functional theory (DFT) and molecular dynamics (MD) simulations.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141090810","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}
Except for orange juice, the remainder is major waste created during orange processing. Indeed, this residue is an issue in the citrus business since its chemical makeup is more complex than other agro-industrial wastes like peels and seeds. Orange peels conceal within them valuable resources in the form of wax and aromatic oil, comprising a mixture of hydrocarbons and other chemical compounds. While in India, orange peels are typically perceived as domestic waste or consigned to landfills, they possess a rich history of traditional applications in medicine and insect repellent. This study aims to produce biodiesel from orange peel oil via trans-eterification process in reactive distillation transforming waste into wealth. Experimental outcomes demonstrate that revamping the reboiler duty and reflux ratio within specified ranges achieves the highest purity level of 96 %, corresponding to a reboiler duty of 6824.28 BTU/hr and a reflux ratio of 4.
Reactive distillation being highly complex and non linear in nature, a time varying control study is must. In view of this, dynamic simulations is performed that reveal at methanol flow rate of 0.07 liters per minute, a reboiler duty of 6810 BTU/hr can be retained corresponding to highest purity level. Characterization of the B20 biodiesel from orange oil (comprising 20.00 % biodiesel and 80.00 % diesel) showcases its suitability, with a basic pH of 7.6, a density of 872 kg/m3, a viscosity of 2 cSt, and a flash point of 180 °C.
Economic Analysis is another important aspect of any research. Comparison between the two production processes were made in terms of the economic indicators such as Return-On-Investment (ROI) and payback period. The simulation results show that the reactive distillation catalyzed is more economically advantageous than the conventional process for biodiesel synthesis due to a much higher ROI, and lower payback period.
{"title":"Valorization of citrus waste using reactive distillation for sustainable biodiesel production","authors":"Shourabh Singh Raghuwanshi, Shivangi Sharma, Tanish Kasera","doi":"10.1016/j.cdc.2024.101141","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101141","url":null,"abstract":"<div><p>Except for orange juice, the remainder is major waste created during orange processing. Indeed, this residue is an issue in the citrus business since its chemical makeup is more complex than other agro-industrial wastes like peels and seeds. Orange peels conceal within them valuable resources in the form of wax and aromatic oil, comprising a mixture of hydrocarbons and other chemical compounds. While in India, orange peels are typically perceived as domestic waste or consigned to landfills, they possess a rich history of traditional applications in medicine and insect repellent. This study aims to produce biodiesel from orange peel oil via trans-eterification process in reactive distillation transforming waste into wealth. Experimental outcomes demonstrate that revamping the reboiler duty and reflux ratio within specified ranges achieves the highest purity level of 96 %, corresponding to a reboiler duty of 6824.28 BTU/hr and a reflux ratio of 4.</p><p>Reactive distillation being highly complex and non linear in nature, a time varying control study is must. In view of this, dynamic simulations is performed that reveal at methanol flow rate of 0.07 liters per minute, a reboiler duty of 6810 BTU/hr can be retained corresponding to highest purity level. Characterization of the B20 biodiesel from orange oil (comprising 20.00 % biodiesel and 80.00 % diesel) showcases its suitability, with a basic pH of 7.6, a density of 872 kg/m<sup>3</sup>, a viscosity of 2 cSt, and a flash point of 180 °C.</p><p>Economic Analysis is another important aspect of any research. Comparison between the two production processes were made in terms of the economic indicators such as Return-On-Investment (ROI) and payback period. The simulation results show that the reactive distillation catalyzed is more economically advantageous than the conventional process for biodiesel synthesis due to a much higher ROI, and lower payback period.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140910389","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}
Pub Date : 2024-04-26DOI: 10.1016/j.cdc.2024.101138
Gabriel André Tochetto , Vilson Conrado da Luz , Adriana Dervanoski , Gean Delise Leal Pasquali
Electrocoagulation is an advanced process that ensures efficiency in treating effluents containing heavy metals. The cost minimization through the reuse of scrap metal as electrodes gains prominence due to its high efficiency. This study aimed to evaluate and establish an optimized system for Cr(VI) electrocoagulation using scrap iron electrodes. The optimized system was derived through a series of experimental designs such as Plackett–Burman and Central Composite Rotatable Design, considering variables such as pH, Cr(VI) concentration, system temperature, agitation, applied electrical current, and reaction time. The results demonstrated that an efficient and optimized system for Cr(VI) removal through electrocoagulation using scrap iron electrodes, achieved for a 1 L volume, involves the use of: a current of 0.7 A, pH 1.5, 0.75 mg L−1 of NaCl, and a time range of 30–45 min for concentrations ranging from 80 to 150 mg L−1.
电凝是一种先进的工艺,可确保高效处理含有重金属的污水。由于效率高,通过重复使用废金属作为电极来最大限度地降低成本的做法越来越受到重视。本研究旨在评估和建立一个使用废铁电极进行六价铬电凝的优化系统。考虑到 pH 值、六价铬浓度、系统温度、搅拌、外加电流和反应时间等变量,通过一系列实验设计(如普拉克特-伯曼设计和中央复合可旋转设计)得出了优化系统。结果表明,使用废铁电极通过电凝去除六价铬的高效优化系统适用于 1 L 的体积,包括使用 0.7 A 的电流、pH 值 1.5、0.75 mg L-1 的氯化钠以及 30-45 分钟的时间范围(浓度范围为 80-150 mg L-1)。
{"title":"Hexavalent chromium removal by electrocoagulation using iron scrap electrodes: Optimization and kinetic modeling","authors":"Gabriel André Tochetto , Vilson Conrado da Luz , Adriana Dervanoski , Gean Delise Leal Pasquali","doi":"10.1016/j.cdc.2024.101138","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101138","url":null,"abstract":"<div><p>Electrocoagulation is an advanced process that ensures efficiency in treating effluents containing heavy metals. The cost minimization through the reuse of scrap metal as electrodes gains prominence due to its high efficiency. This study aimed to evaluate and establish an optimized system for Cr(VI) electrocoagulation using scrap iron electrodes. The optimized system was derived through a series of experimental designs such as Plackett–Burman and Central Composite Rotatable Design, considering variables such as pH, Cr(VI) concentration, system temperature, agitation, applied electrical current, and reaction time. The results demonstrated that an efficient and optimized system for Cr(VI) removal through electrocoagulation using scrap iron electrodes, achieved for a 1 L volume, involves the use of: a current of 0.7 A, pH 1.5, 0.75 mg L<sup>−1</sup> of NaCl, and a time range of 30–45 min for concentrations ranging from 80 to 150 mg L<sup>−1</sup>.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140807082","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}
Pub Date : 2024-04-26DOI: 10.1016/j.cdc.2024.101139
T. Subha , M. Srilatha , P. Naveen , R. Thirumalaisamy
In current scenario, Oral diseases are the most prevalent and challenging diseases globally and it causes serious health and economic burdens for those who are affected. Carica papaya is used to treat oral diseases in Ayurvedic medicines from very long time. In current study aqueous leaf extract of C. papaya utilize to green synthesize silver nanoparticles for oral pathogen treatment. Green synthesized silver nanoparticles from C. papaya characterized using UV–Visible, FTIR, XRD and SEM analysis. Green synthesis of silver nanoparticles from C. papaya optimized by utilizing Box–Behnken based response surface methodology software. Characterization of green synthesized silver nanoparticles from C. papaya reveals that has maximal absorbance at 510 nm shown strong vibrational band at 3490 cm−1 in IR analysis indicate silver nanoparticle formation. SEM analysis reveals 30–55 nm sized spherical shaped nanoparticles which was further affirmed by XRD analysis. Further green synthesized silver nanoparticles synthesized from C. papaya leaf extract shown anti-microbial activity against dental caries causing microorganism with zone of inhibition values 10, 14, 15 mm diameter respectively against S. mutans (ATCC25175), S. gordonii (ATCC10558), S. anginosus (ATCC33397) dental caries pathogen at 10 µg nanoparticle concentration. The functional groups of bioactive compounds from C. papaya responsible for effective reduction of silver ions and its inhibitory activity against tooth decay causing bacteria were assayed in this current research study. The current study proven that the green synthesized silver nanoparticles from C. papaya leaf extract possess significant applications in dental applications and we recommend this silver nanoparticle found suitable applications in biomaterial applications in dental industry.
{"title":"Green synthesis, characterization and optimization of silver nanoparticles from Carica papaya using Box Behnken design and its activity against dental caries causing Streptococcus sp","authors":"T. Subha , M. Srilatha , P. Naveen , R. Thirumalaisamy","doi":"10.1016/j.cdc.2024.101139","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101139","url":null,"abstract":"<div><p>In current scenario, Oral diseases are the most prevalent and challenging diseases globally and it causes serious health and economic burdens for those who are affected. <em>Carica papaya</em> is used to treat oral diseases in Ayurvedic medicines from very long time. In current study aqueous leaf extract of <em>C. papaya</em> utilize to green synthesize silver nanoparticles for oral pathogen treatment. Green synthesized silver nanoparticles from <em>C. papaya</em> characterized using UV–Visible, FTIR, XRD and SEM analysis. Green synthesis of silver nanoparticles from <em>C. papaya</em> optimized by utilizing Box–Behnken based response surface methodology software. Characterization of green synthesized silver nanoparticles from <em>C. papaya</em> reveals that has maximal absorbance at 510 nm shown strong vibrational band at 3490 cm<sup>−1</sup> in IR analysis indicate silver nanoparticle formation. SEM analysis reveals 30–55 nm sized spherical shaped nanoparticles which was further affirmed by XRD analysis. Further green synthesized silver nanoparticles synthesized from <em>C. papaya</em> leaf extract shown anti-microbial activity against dental caries causing microorganism with zone of inhibition values 10, 14, 15 mm diameter respectively against <em>S. mutans</em> (ATCC25175)<em>, S. gordonii</em> (ATCC10558)<em>, S. anginosus</em> (ATCC33397) dental caries pathogen at 10 µg nanoparticle concentration. The functional groups of bioactive compounds from <em>C. papaya</em> responsible for effective reduction of silver ions and its inhibitory activity against tooth decay causing bacteria were assayed in this current research study. The current study proven that the green synthesized silver nanoparticles from <em>C. papaya</em> leaf extract possess significant applications in dental applications and we recommend this silver nanoparticle found suitable applications in biomaterial applications in dental industry.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140905849","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}
Pub Date : 2024-04-25DOI: 10.1016/j.cdc.2024.101137
Valeriia V. Pavlova, Pavlo V. Zadorozhnii, Vadym V. Kiselev, Aleksandr V. Kharchenko
Thiosemicarbazide derivatives are widely used as substrates for organic synthesis, and as analytical reagents and have a wide range of biological activities. In this work, we report synthesizing a series of new thiosemicarbazide derivatives functionalized with an N-(2,2,2-trichloroethyl)carboxamide group at the thioamide nitrogen atom. These compounds were obtained by adding hydrazine hydrate to N-(2,2,2-trichloro-1-isothiocyanatoethyl)carboxamides. Optimization of reaction conditions was carried out under the control of LC-MS analysis. The highest yields were observed at room temperature using MTBE as a solvent. The yield of target products under these conditions was 68–94 %. The structure of the obtained compounds was confirmed by 1H, 13C NMR, and IR spectroscopy data, as well as the selective X-ray diffraction analysis carried out for 3-methyl-N-(2,2,2-trichloro-1-(hydrazinecarbothioamido)ethyl)butanamide.
硫代氨基脲衍生物被广泛用作有机合成的底物和分析试剂,并具有广泛的生物活性。在这项工作中,我们合成了一系列在硫代酰胺氮原子上具有 N-(2,2,2-三氯乙基)羧酰胺基团的新硫代氨基脲衍生物。这些化合物是通过在 N-(2,2,2-三氯-1-异硫氰基乙基)羧酰胺中加入水合肼而得到的。在 LC-MS 分析的控制下,对反应条件进行了优化。在室温下,以 MTBE 为溶剂的产率最高。在这些条件下,目标产物的产率为 68-94%。通过 1H、13C NMR 和 IR 光谱数据,以及对 3-甲基-N-(2,2,2-三氯-1-(肼硫代氨基)乙基)丁酰胺进行的选择性 X 射线衍射分析,确认了所获化合物的结构。
{"title":"Synthesis, spectral characteristics and molecular structure of N-(2,2,2-trichloro-1-(hydrazinecarbothioamido)ethyl)carboxamides","authors":"Valeriia V. Pavlova, Pavlo V. Zadorozhnii, Vadym V. Kiselev, Aleksandr V. Kharchenko","doi":"10.1016/j.cdc.2024.101137","DOIUrl":"10.1016/j.cdc.2024.101137","url":null,"abstract":"<div><p>Thiosemicarbazide derivatives are widely used as substrates for organic synthesis, and as analytical reagents and have a wide range of biological activities. In this work, we report synthesizing a series of new thiosemicarbazide derivatives functionalized with an <em>N</em>-(2,2,2-trichloroethyl)carboxamide group at the thioamide nitrogen atom. These compounds were obtained by adding hydrazine hydrate to <em>N</em>-(2,2,2-trichloro-1-isothiocyanatoethyl)carboxamides. Optimization of reaction conditions was carried out under the control of LC-MS analysis. The highest yields were observed at room temperature using MTBE as a solvent. The yield of target products under these conditions was 68–94 %. The structure of the obtained compounds was confirmed by <sup>1</sup>H, <sup>13</sup>C NMR, and IR spectroscopy data, as well as the selective X-ray diffraction analysis carried out for 3-methyl-<em>N</em>-(2,2,2-trichloro-1-(hydrazinecarbothioamido)ethyl)butanamide.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140787314","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}
Pub Date : 2024-04-02DOI: 10.1016/j.cdc.2024.101135
Ghufran Lutfi Ismaeel , Shaymaa Abed Hussein , Gulrux Daminova , Jameel Mohammed Ameen Sulaiman , Mohaned Mohammed Hani , Eftikhaar Hasan Kadhum , Shahad Abdulhadi Khuder , Safaa Mustafa Hameed , Ahmed Read Al-Tameemi , Zaid H. Mahmoud , Ehsan Kianfar
In this article, a layer of nickel and cobalt salt is placed on the surface of a pure gold electrode, and in this way, the electrode is modified and finally a modified gold sensor is made, which is used to measure atrazine is used to remove the pollution poison in water and wastewater. This modified electrode is made at room temperature, which can be used at optimal pH = 9 stabilized by Britton-Robinson buffer and other chemical and device parameters. In this experiment, cyclic voltammetry techniques were used to study and investigate electrochemical reactions and SEM to study the structured of the electrode. The structured of this sensor is completely new and presented for the first time, and it is able to respond to very small amounts of these substances in the samples containing it. This electrode shows a linear behavior in the concentration of 100 nanomolar of atrazine poison. The detection limit of this electrode is 0.009 nM for atrazine. High signal to noise, wide linear range of response, high sensitivity and appropriate selectivity of this sensor will be its unique advantages.
{"title":"Fabrication and investigating of a nano-structured electrochemical sensor to measure the amount of atrazine pollution poison in water and wastewater","authors":"Ghufran Lutfi Ismaeel , Shaymaa Abed Hussein , Gulrux Daminova , Jameel Mohammed Ameen Sulaiman , Mohaned Mohammed Hani , Eftikhaar Hasan Kadhum , Shahad Abdulhadi Khuder , Safaa Mustafa Hameed , Ahmed Read Al-Tameemi , Zaid H. Mahmoud , Ehsan Kianfar","doi":"10.1016/j.cdc.2024.101135","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101135","url":null,"abstract":"<div><p>In this article, a layer of nickel and cobalt salt is placed on the surface of a pure gold electrode, and in this way, the electrode is modified and finally a modified gold sensor is made, which is used to measure atrazine is used to remove the pollution poison in water and wastewater. This modified electrode is made at room temperature, which can be used at optimal pH = 9 stabilized by Britton-Robinson buffer and other chemical and device parameters. In this experiment, cyclic voltammetry techniques were used to study and investigate electrochemical reactions and SEM to study the structured of the electrode. The structured of this sensor is completely new and presented for the first time, and it is able to respond to very small amounts of these substances in the samples containing it. This electrode shows a linear behavior in the concentration of 100 nanomolar of atrazine poison. The detection limit of this electrode is 0.009 nM for atrazine. High signal to noise, wide linear range of response, high sensitivity and appropriate selectivity of this sensor will be its unique advantages.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140543803","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}
Pub Date : 2024-03-24DOI: 10.1016/j.cdc.2024.101134
Priyank Khirsariya , Vyomesh M. Parsana , Kedar Joshi
Acetic acid (AA) is extensively used as a commodity chemical in industrial processes and its separation from aqueous solutions is a critical aspect of industrial processes. Methyl tert‑butyl ether (MTBE) is one of the most promising solvents for separating pure acetic acid from its aqueous solution via extraction. To recover MTBE solvent form extract phase, VLE data is required. An isobaric VLE study of MTBE + AA using an ebulliometer in the range of 60–90 kPa is reported in this article. Excess Gibbs energy models such as Wilson, NRTL, and UNIQUAC were used to correlate VLE data. The calculated BIPs were found suitable for presenting the VLE data in all pressure range and no azeotrope formation was observed. Average absolute deviation in temperature for Wilson, NRTL, and UNIQUAC models was reported. Redlich and Kister's area test and Wisniak's L–W test were used to check the thermodynamic consistency of the experimental data.
{"title":"Measurement & correlation of isobaric vapor-liquid equilibrium (VLE) data of methyl tert‑butyl ether (MTBE) + acetic acid (AA) system","authors":"Priyank Khirsariya , Vyomesh M. Parsana , Kedar Joshi","doi":"10.1016/j.cdc.2024.101134","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101134","url":null,"abstract":"<div><p>Acetic acid (AA) is extensively used as a commodity chemical in industrial processes and its separation from aqueous solutions is a critical aspect of industrial processes. Methyl tert‑butyl ether (MTBE) is one of the most promising solvents for separating pure acetic acid from its aqueous solution via extraction. To recover MTBE solvent form extract phase, VLE data is required. An isobaric VLE study of MTBE + AA using an ebulliometer in the range of 60–90 kPa is reported in this article. Excess Gibbs energy models such as Wilson, NRTL, and UNIQUAC were used to correlate VLE data. The calculated BIPs were found suitable for presenting the VLE data in all pressure range and no azeotrope formation was observed. Average absolute deviation in temperature for Wilson, NRTL, and UNIQUAC models was reported. Redlich and Kister's area test and Wisniak's L–W test were used to check the thermodynamic consistency of the experimental data.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":null,"pages":null},"PeriodicalIF":2.218,"publicationDate":"2024-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140332675","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}