The Eurasia Proceedings of Science Technology Engineering and Mathematics最新文献_第5页

DFT Study of a Series of Nicotinic Acid Benzylidenehydrazide Derivatives: Structure, Stability and Reactivity 一系列烟酸亚苄基肼衍生物的 DFT 研究：结构、稳定性和反应活性

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1404103

N. Kichou, N. Guechtouli, Manel Taferghennit, Zakia Hank

{"title":"DFT Study of a Series of Nicotinic Acid Benzylidenehydrazide Derivatives: Structure, Stability and Reactivity","authors":"N. Kichou, N. Guechtouli, Manel Taferghennit, Zakia Hank","doi":"10.55549/epstem.1404103","DOIUrl":"https://doi.org/10.55549/epstem.1404103","url":null,"abstract":"Hydrazones especially nicotinic acid benzylidenehydrazide derivatives constitute an important class of compounds that has received much interest in recent years, due to their diverse biological characteristics, such as antimicrobial, anticonvulsant, analgesic, anti-inflammatory, antiplatelet, antituberculous and antitumor activities. These compounds have donor sites such as N and O which have non-bonding doublets which allow them to coordinate with metal ions. For this purpose, ten hydrazones structures were optimized in the DFT method, using the B3LYP functional, with the basis 6-31G** for all atoms, in the gas phase using the Gaussian 09 program. The structural, energetic (energies, EHOMO-LUMO gaps), electronic (dipolar moments, atomic charges) parameters were determined. A study of the stability of the ligands was carried out based on the relative energies to study the chemical reactivity of the optimized structures, we calculated the global reactivity parameters (ionization potential, electronic affinity, electronic chemical potential, absolute hardness, overall softness and overall electrophilicity). The results obtained show that All the systems considered are stabilized by two types of electronic effect. Either; an inductive attractor effect, with a coexistence of mesomeric effects. Analysis of chemical hardness values indicates that the most stable isomers found are the hardest, with larger HOMO/LUMO gaps, and therefore less reactive. As a result, charge transfer will be predominant. The most nucleophilic systems are also determined based on the calculation of the eletrophicity and nucleophilicity indices.","PeriodicalId":22384,"journal":{"name":"The Eurasia Proceedings of Science Technology Engineering and Mathematics","volume":"5 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139157780","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

PV Supplied Electrochemical Production of Hydrogen Peroxide: A Green Pathway for Fenton Based Advanced Oxidation Processes 光伏提供的过氧化氢电化学生产：基于芬顿的高级氧化工艺的绿色途径

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406247

K. Kerboua

引用次数: 0

Enhancing Call Center Efficiency: Data Driven Workload Prediction and Workforce Optimization 提高呼叫中心效率：数据驱动的工作量预测和劳动力优化

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406245

Muhammet Ali Kadioglu, Bilal Alatas

引用次数: 0

The Effect of HFMI Treatment on Stress Concentration for S355J2C+N Steel with Fillet Weld Joint 角焊缝 S355J2C+N 钢的 HFMI 处理对应力集中的影响

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406268

Mehmet Can Katmer, Sami Gökberk Biçer

引用次数: 0

AI-Powered Game Design: Experts Employing ChatGPT in the Game Design Process 人工智能助力游戏设计：在游戏设计过程中使用 ChatGPT 的专家

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406194

Michael Lankes, Andreas Stockl

引用次数: 0

Origin of Raw Materials of Ancient Glass (B.C.) from Kythnos Island, Greece 希腊基斯诺斯岛古代玻璃（公元前）原材料的来源

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406231

P. Karalis, E. Dotsika, Alexandros MAZARAKIS-AINIAN, Evaggelia Kolofotia, Foteini Rizou, Anastasia Electra Poutouki, Panagiotis Leandros Poutoukis, A. Drosou, Dimitrios Tzovaras

引用次数: 0

Chemical Composition and Biological Potential of Different Extracts of Two Medicinal Plants from Northern Algeria 阿尔及利亚北部两种药用植物不同提取物的化学成分和生物潜力

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1404112

Fernane Farida, Aitissad Hakima, Chaouchi Ouardia, Sehaki Chabha, D. Nacira, Houali Karim

{"title":"Chemical Composition and Biological Potential of Different Extracts of Two Medicinal Plants from Northern Algeria","authors":"Fernane Farida, Aitissad Hakima, Chaouchi Ouardia, Sehaki Chabha, D. Nacira, Houali Karim","doi":"10.55549/epstem.1404112","DOIUrl":"https://doi.org/10.55549/epstem.1404112","url":null,"abstract":"This work aime to study the chemical composition and the main biological properties contained in the extracts of Lavandula stoechas and Pistacia lentiscus collected in northern Algeria. Lavandula stoechas and Pistacia lentiscus are two medicinal plants belonging to the botanical family Labiatae and Anacardeacea respectively. They are grow wild in the northen Algeria and widely used in traditional Algerian medicine. The GC/MS analysis of the essential oils of Lavandula stoechas extracted by hydrodistillation showed that the latter are of fenchone chemotype whatever the period and the site of harvest. LC/MS analysis of tannin powders extracted by maceration of the leaves in a hydroalcoholic solvent reveals that they mainly contain rosmarinic acid. Essential oils extracted from the leaves of Pistacia lentiscus showed a large variability in terpenoid. The antioxidant activity of the different essential oils varied according to the harvesting period and the altitude. The highest antiradical effects were observed with the FRAP test. An another side the Pistacia lentiscus extracts showed to have an α-glucosidase inhibition effect that was more or less impactful according to the plant’s living environment (mountain or littoral) and the considered organ (leaves, stem barks or fruits).","PeriodicalId":22384,"journal":{"name":"The Eurasia Proceedings of Science Technology Engineering and Mathematics","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139159727","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

Performance Assessment of Sustainable Machining Techniques 可持续加工技术的性能评估

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406266

Vamsi Krishna Pasam, Kartheek Gamidi, Banoth Srinu, L. Dumpala

引用次数: 0

Quality Issue Classification by Using Dedicated Data Analysis Software Created in Phyton Language 使用以 Phyton 语言创建的专用数据分析软件进行质量问题分类

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406198

Elena Raducan, Mihaita Arhip

引用次数: 0

Smart Cart Application for E-Commerce Websites: A Case Study 电子商务网站的智能购物车应用：案例研究

The Eurasia Proceedings of Science Technology Engineering and Mathematics Pub Date : 2023-12-25 DOI: 10.55549/epstem.1406744

Tahir Enes Adak, Mehmet S. Aktas

{"title":"Smart Cart Application for E-Commerce Websites: A Case Study","authors":"Tahir Enes Adak, Mehmet S. Aktas","doi":"10.55549/epstem.1406744","DOIUrl":"https://doi.org/10.55549/epstem.1406744","url":null,"abstract":"In the past few years, customers' buying habits have changed a lot because of e-commerce. E-commerce systems have a lot of benefits over traditional ways of selling things in stores because they can be changed to fit the wants and tastes of each user. Personalizing these experiences has the ability to make customers happier, which could increase sales and make platforms more successful. In sales of things like computers, users often put together a product based on its parts in a way that suits their personal tastes. To successfully plan inventory management, pricing strategies, and marketing efforts, it is very important to be able to correctly predict which product combinations will be the most popular. This position paper is focusing on how to build a decision support system software that can predict the likelihood of a buy for product baskets that are put together on the fly. The main goal of this decision support system software is to help e-commerce companies better understand what customers want and adjust their tactics to meet those needs. By designing, building and using this software, e-commerce companies can learn more about how their customers behave and increase their sales.","PeriodicalId":22384,"journal":{"name":"The Eurasia Proceedings of Science Technology Engineering and Mathematics","volume":"4 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139158455","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