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Collaborative robots using computer vision applications in a chemical laboratory 在化学实验室中使用计算机视觉应用的协作机器人
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.001
Aleksei V. Meshkov, Veronika Yu. Yurova, Timur A. Aliev, Vladimir V. Potapov, Maria D. Rudakova, Artem P. Ageev, Ekaterina V. Skorb
{"title":"Collaborative robots using computer vision applications in a chemical laboratory","authors":"Aleksei V. Meshkov,&nbsp;Veronika Yu. Yurova,&nbsp;Timur A. Aliev,&nbsp;Vladimir V. Potapov,&nbsp;Maria D. Rudakova,&nbsp;Artem P. Ageev,&nbsp;Ekaterina V. Skorb","doi":"10.1016/j.mencom.2024.10.001","DOIUrl":"10.1016/j.mencom.2024.10.001","url":null,"abstract":"<div><div>An overview of modern technologies in the field of laboratory automation, such as robotics and the use of computer vision, is presented. The main methods and equipment required for the automation process are discussed. A brief description of the implementation of collaborative robots and computer vision systems in automated laboratory work-stations is given, and a specific example of a centrifugation procedure is considered.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 769-773"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sulfur-bridged bis(2-indenyl) zirconocenes and their performance in olefin polymerization 硫桥接双（2-茚二基）锆茂烯及其在烯烃聚合中的性能
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.015
Oleg V. Samsonov , Georgy P. Goryunov , Dmitry V. Uborsky , Andrey F. Asachenko , Jo Ann M. Canich , Jian Yang , Alexander Z. Voskoboynikov
{"title":"Sulfur-bridged bis(2-indenyl) zirconocenes and their performance in olefin polymerization","authors":"Oleg V. Samsonov ,&nbsp;Georgy P. Goryunov ,&nbsp;Dmitry V. Uborsky ,&nbsp;Andrey F. Asachenko ,&nbsp;Jo Ann M. Canich ,&nbsp;Jian Yang ,&nbsp;Alexander Z. Voskoboynikov","doi":"10.1016/j.mencom.2024.10.015","DOIUrl":"10.1016/j.mencom.2024.10.015","url":null,"abstract":"<div><div>A series of sulfur-bridged bis(2-indenyl) zirconocenes were synthesized and tested for ethylene/1-octene co- polymerization and 1-decene oligomerization. Zirconocene bearing two 5,6-positioned methyl substituents in indenyl moieties, distant from the metal center, appeared to be an active catalyst producing 1-decene oligomers with high content of unsaturated vinylidene end groups, which is preferable for post-functionalization.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 815-818"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deep machine learning for STEM image analysis 用于STEM图像分析的深度机器学习
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.002
Anna V. Nartova , Andrey V. Matveev , Larisa M. Kovtunova , Aleksey G. Okunev
{"title":"Deep machine learning for STEM image analysis","authors":"Anna V. Nartova ,&nbsp;Andrey V. Matveev ,&nbsp;Larisa M. Kovtunova ,&nbsp;Aleksey G. Okunev","doi":"10.1016/j.mencom.2024.10.002","DOIUrl":"10.1016/j.mencom.2024.10.002","url":null,"abstract":"<div><div>The universal, user-friendly online iOk Platform for automatic recognition of any type of objects in images based on deep machine learning is presented. Services aggregated in the iOk Platform significantly reduce the time spent on quantitative image analysis, decrease the influence of the subjective factor and increase the accuracy of the analysis by expanding the set of data that can be analyzed automatically. It is shown how the services can be used to analyze scanning transmission electron microscopy images obtained in heterogeneous catalysis studies, allowing for measurements of thousands of objects in an image, as well as simultaneous analysis of objects of different types, namely: nanoparticles and single sites.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 774-775"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tuning the performance of Mn/Beta in ozone catalytic oxidation of VOCs by variation of the Mn content and its localization in the zeolite structure 通过改变Mn含量及其在沸石结构中的定位来调整Mn/Beta在臭氧催化氧化VOCs中的性能
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.022
Dmitriy A. Bokarev, Galina O. Bragina, Artem R. Kolyadenkov, Alexander V. Kazakov, Alexander Yu. Stakheev
{"title":"Tuning the performance of Mn/Beta in ozone catalytic oxidation of VOCs by variation of the Mn content and its localization in the zeolite structure","authors":"Dmitriy A. Bokarev,&nbsp;Galina O. Bragina,&nbsp;Artem R. Kolyadenkov,&nbsp;Alexander V. Kazakov,&nbsp;Alexander Yu. Stakheev","doi":"10.1016/j.mencom.2024.10.022","DOIUrl":"10.1016/j.mencom.2024.10.022","url":null,"abstract":"<div><div>The performance of Mn/Beta in ozone catalytic oxidation (OZCO) of <em>n</em>-butane was optimized by variation of the Mn content (0.6–10 wt%) and localization of Mn species in the zeolite structure (as Mn<sup>2+</sup> ions in the cationic position or MnO<em><sub>x</sub></em> species). It was found that localization of Mn<sup>2+</sup> ions in the cationic positions of the zeolite favors high efficiency of ozone utilization in the OZCO process by minimizing O<sub>3</sub> consumption, while the formation of Mn oxide species improves the catalyst activity at a low temperature (50–70 °C), though at the expense of the ozone utilization efficiency.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 837-839"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions 环状环四烯和环十戊烯的BeO类似物作为新的无机物质具有不寻常的多重高价O∙∙O相互作用
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.010
Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin
{"title":"BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions","authors":"Tatyana N. Gribanova,&nbsp;Ruslan M. Minyaev,&nbsp;Vladimir I. Minkin","doi":"10.1016/j.mencom.2024.10.010","DOIUrl":"10.1016/j.mencom.2024.10.010","url":null,"abstract":"<div><div>Density functional theory calculations at the level of B3LYP/6-311+G(df,p) and wB97XD/6-311+G(df,p) predict stability of the BeO analogues of annulated cyclooctatetraene and cyclodecapentaene, Be<em><sub>n</sub></em>O<em><sub>n</sub></em>H<em><sub>n</sub></em> (<em>n</em> = 8, 10), which uniquely feature the presence of multiple hypervalent diagonal O∙∙∙O interactions within the four-membered rings.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 798-801"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Highly efficient synthesis of mononuclear Pt-based carboxylic complexes trans-[Py2Pt(OC(O)R)2] (R = Me, But, Ph) 高效合成单核pt基羧基配合物trans-[Py2Pt(OC(O)R)2] （R = Me, But, Ph）
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.013
Maria V. Panina , Nadezhda K. Ogarkova , Pavel V. Dorovatovskii , Olesya V. Sulimova , Egor A. Sosunov , Natalia V. Cherkashina , Julia E. Makarevich , Mger A. Navasardyan , Anna S. Popova , Ilya A. Yakushev
{"title":"Highly efficient synthesis of mononuclear Pt-based carboxylic complexes trans-[Py2Pt(OC(O)R)2] (R = Me, But, Ph)","authors":"Maria V. Panina ,&nbsp;Nadezhda K. Ogarkova ,&nbsp;Pavel V. Dorovatovskii ,&nbsp;Olesya V. Sulimova ,&nbsp;Egor A. Sosunov ,&nbsp;Natalia V. Cherkashina ,&nbsp;Julia E. Makarevich ,&nbsp;Mger A. Navasardyan ,&nbsp;Anna S. Popova ,&nbsp;Ilya A. Yakushev","doi":"10.1016/j.mencom.2024.10.013","DOIUrl":"10.1016/j.mencom.2024.10.013","url":null,"abstract":"<div><div>Two novel synthetic routes were suggested for square-planar carboxylic platinum(ii) complexes with acetic, pivalic, and benzoic ligands. In the first method, heating ionic complex [Py<sub>4</sub>Pt](OAc)<sub>2</sub> under reduced pressure gives a molecular compound <em>trans-</em>[Py<sub>2</sub>Pt(OAc)<sub>2</sub>] with a moderate yield. In the second method, the same starting compound [Py<sub>4</sub>Pt](OAc)<sub>2</sub> ∙ 6 H<sub>2</sub>O is melted with pivalic or benzoic acids, which leads to analogous carboxylic <em>trans</em>-complexes with almost quantitative yields.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 808-811"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine learning-enabled prediction of ecotoxicity (EC50) of diverse organic compounds via infrared spectroscopy 机器学习通过红外光谱预测不同有机化合物的生态毒性（EC50）
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.004
Maksim Yu. Sidorov , Mikhail E. Gasanov , Artur A. Dzeranov , Lyubov S. Bondarenko , Anastasiya P. Kiryushina , Vera A. Terekhova , Gulzhian I. Dzhardimalieva , Kamila A. Kydralieva
{"title":"Machine learning-enabled prediction of ecotoxicity (EC50) of diverse organic compounds via infrared spectroscopy","authors":"Maksim Yu. Sidorov ,&nbsp;Mikhail E. Gasanov ,&nbsp;Artur A. Dzeranov ,&nbsp;Lyubov S. Bondarenko ,&nbsp;Anastasiya P. Kiryushina ,&nbsp;Vera A. Terekhova ,&nbsp;Gulzhian I. Dzhardimalieva ,&nbsp;Kamila A. Kydralieva","doi":"10.1016/j.mencom.2024.10.004","DOIUrl":"10.1016/j.mencom.2024.10.004","url":null,"abstract":"<div><div>A new, less time-consuming and resource-intensive approach to predicting the EC<sub>50</sub> ecotoxicity index, which is crucial for assessing the impact of compounds on ecosystems, is proposed. Efficient EC<sub>50</sub> prediction based on infrared spectroscopy data and EC<sub>50</sub> values from the EcoTOX database is achieved using machine learning. The best results with an F1-score of 0.83 were obtained with the SVC and XGBoost models.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 780-782"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, physicochemical properties and in vitro cytotoxic activity of aziridine-containing derivatives of 1,3,5-triazine 1,3,5-三嗪含氮吡啶衍生物的合成、理化性质及体外细胞毒活性
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.028
Olga V. Mikolaichuk , Alexandra V. Protas , Elena A. Popova , Olga S. Shemchuk , Mikhail D. Luttsev , Daler R. Dadadzhanov , Tigran A. Vartanyan , Andrey V. Petrov , Vladimir V. Sharoyko , Konstantin N. Semenov , Oleg E. Molchanov , Dmitrii N. Maistrenko
{"title":"Synthesis, physicochemical properties and in vitro cytotoxic activity of aziridine-containing derivatives of 1,3,5-triazine","authors":"Olga V. Mikolaichuk ,&nbsp;Alexandra V. Protas ,&nbsp;Elena A. Popova ,&nbsp;Olga S. Shemchuk ,&nbsp;Mikhail D. Luttsev ,&nbsp;Daler R. Dadadzhanov ,&nbsp;Tigran A. Vartanyan ,&nbsp;Andrey V. Petrov ,&nbsp;Vladimir V. Sharoyko ,&nbsp;Konstantin N. Semenov ,&nbsp;Oleg E. Molchanov ,&nbsp;Dmitrii N. Maistrenko","doi":"10.1016/j.mencom.2024.10.028","DOIUrl":"10.1016/j.mencom.2024.10.028","url":null,"abstract":"<div><div>6-{[4-(Aziridin-1-yl)-6-chloro-1,3,5-triazin-2-yl]amino}-hexanoic acid methyl ester and sodium salt were synthesized from cyanuric chloride. The sodium salt would interact with free radicals of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and inhibit hemolysis induced by Radachlorin. Both compounds interact with DNA with <em>K</em><sub>bin</sub> values of 1.09 × 10<sup>7</sup> and 0.99 × 10<sup>7</sup> dm<sup>3</sup> mol<sup>−1</sup>, respectively; they also demonstrate cytotoxic activity against human cancer cell lines.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 859-861"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Creation of biocidal polyethylene surface using plasma 用等离子体制造生物杀灭聚乙烯表面
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.036
Vyacheslav M. Misin , Sergey A. Smirnov , Tatyana G. Shikova , Igor V. Kholodkov , Natalya G. Loiko , Alexander A. Maltsev , Mikhail V. Voronkov , Vladimir A. Volkov
{"title":"Creation of biocidal polyethylene surface using plasma","authors":"Vyacheslav M. Misin ,&nbsp;Sergey A. Smirnov ,&nbsp;Tatyana G. Shikova ,&nbsp;Igor V. Kholodkov ,&nbsp;Natalya G. Loiko ,&nbsp;Alexander A. Maltsev ,&nbsp;Mikhail V. Voronkov ,&nbsp;Vladimir A. Volkov","doi":"10.1016/j.mencom.2024.10.036","DOIUrl":"10.1016/j.mencom.2024.10.036","url":null,"abstract":"<div><div>After grafting the <em>N</em>,<em>N</em>-dimethyl-<em>N</em>,<em>N</em>-diallylammonium chloride (DADMAC) polymer to low-density polyethylene (LDPE) using plasma, the polyethylene surface acquired wettability with water. The synthesized graft copolymer turned out to be bactericidal against gram-positive <em>Staphylococcus aureus</em> and gram-negative <em>Escherichia coli</em>.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 884-886"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymerization–cyclodepolymerization of polypropylene carbonate mediated by cobalt catalyst 钴催化剂催化碳酸聚丙烯的聚合-环解聚
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.034
Sergey A. Rzhevskiy , Olga V. Shurupova , Andrey F. Asachenko , Nikita M. Belov , Anna V. Plutalova , Elena S. Trofimchuk , Roman V. Toms , Elena V. Chernikova , Irina P. Beletskaya
{"title":"Polymerization–cyclodepolymerization of polypropylene carbonate mediated by cobalt catalyst","authors":"Sergey A. Rzhevskiy ,&nbsp;Olga V. Shurupova ,&nbsp;Andrey F. Asachenko ,&nbsp;Nikita M. Belov ,&nbsp;Anna V. Plutalova ,&nbsp;Elena S. Trofimchuk ,&nbsp;Roman V. Toms ,&nbsp;Elena V. Chernikova ,&nbsp;Irina P. Beletskaya","doi":"10.1016/j.mencom.2024.10.034","DOIUrl":"10.1016/j.mencom.2024.10.034","url":null,"abstract":"<div><div>The racemic salen complex of cobalt(iii) with pentafluorobenzoate axial ligand provides the synthesis of high molecular weight amorphous polypropylene carbonate and its full conversion into propylene carbonate.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 878-880"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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