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Silicate-substituted hydroxyapatite bioceramics fabrication from the amorphous powder precursor obtained from the silicate-containing solutions 硅酸盐取代羟基磷灰石生物陶瓷的非晶粉体前驱体制备
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.025
Daniil O. Golubchikov , Tatiana V. Safronova , Vladimir A. Podlyagin , Tatiana B. Shatalova , Irina V. Kolesnik , Valery I. Putlayev
{"title":"Silicate-substituted hydroxyapatite bioceramics fabrication from the amorphous powder precursor obtained from the silicate-containing solutions","authors":"Daniil O. Golubchikov ,&nbsp;Tatiana V. Safronova ,&nbsp;Vladimir A. Podlyagin ,&nbsp;Tatiana B. Shatalova ,&nbsp;Irina V. Kolesnik ,&nbsp;Valery I. Putlayev","doi":"10.1016/j.mencom.2024.10.025","DOIUrl":"10.1016/j.mencom.2024.10.025","url":null,"abstract":"<div><div>The mixed-anionic solution synthesis was applied to obtain X-ray amorphous powder precursor of silicon-substituted hydroxyapatite (Si-HAp) for macroporous bioceramics fabrication. Proposed technique was proven to provide small particle size up to 1 µm, as well as homogeneous components distribution in the final Si-HAp ceramics. A possible pathway of the Si-HAp formation under gradual heating up to 1000 °C was discussed.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 847-849"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743916","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
Synergistic effect of ionic liquid and methylammonium chloride in crystallization of hybrid haloplumbate for perovskite solar cells 离子液体和甲基氯化铵在钙钛矿太阳能电池杂化卤铅酸盐结晶中的协同作用
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.023
Natalia N. Udalova , Andrey A. Petrov , Elizaveta M. Nemygina , Karina R. Plukchi , Eugene A. Goodilin , Alexey B. Tarasov
{"title":"Synergistic effect of ionic liquid and methylammonium chloride in crystallization of hybrid haloplumbate for perovskite solar cells","authors":"Natalia N. Udalova ,&nbsp;Andrey A. Petrov ,&nbsp;Elizaveta M. Nemygina ,&nbsp;Karina R. Plukchi ,&nbsp;Eugene A. Goodilin ,&nbsp;Alexey B. Tarasov","doi":"10.1016/j.mencom.2024.10.023","DOIUrl":"10.1016/j.mencom.2024.10.023","url":null,"abstract":"<div><div>The synergistic effect of ionic liquid 1-(2-hydroxyethyl)-3-methyl-1<em>H</em>-imidazol-3-ium cinnamate and methylammonium chloride (MACl) on the functional properties of mixed hybrid perovskites was discovered for the first time, which leads to a notable improvement in the quality of perovskite films and the photothermal stability of perovskite solar cells compared to reference devices.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 840-843"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743929","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
Contrastive representation learning for spectroscopy data analysis 光谱数据分析的对比表示学习
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.006
Artem P. Vorozhtsov, Polina V. Kitina
{"title":"Contrastive representation learning for spectroscopy data analysis","authors":"Artem P. Vorozhtsov,&nbsp;Polina V. Kitina","doi":"10.1016/j.mencom.2024.10.006","DOIUrl":"10.1016/j.mencom.2024.10.006","url":null,"abstract":"<div><div>Metric-based representation learning showed good accuracy in identifying objects from one-dimensional spectroscopy data, robustness to small dataset size and the ability to change the data domain without fine-tuning.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 786-787"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743936","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
Towards machine learning prediction of the fluorescent protein absorption spectra 荧光蛋白吸收光谱的机器学习预测
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.007
Roman A. Stepanyuk , Igor V. Polyakov , Anna M. Kulakova , Ekaterina I. Marchenko , Maria G. Khrenova
{"title":"Towards machine learning prediction of the fluorescent protein absorption spectra","authors":"Roman A. Stepanyuk ,&nbsp;Igor V. Polyakov ,&nbsp;Anna M. Kulakova ,&nbsp;Ekaterina I. Marchenko ,&nbsp;Maria G. Khrenova","doi":"10.1016/j.mencom.2024.10.007","DOIUrl":"10.1016/j.mencom.2024.10.007","url":null,"abstract":"<div><div>We demonstrate that machine learning models trained on a set of features obtained from QM/MM molecular dynamic trajectories of fluorescent proteins can be used to predict the chromophore dipole moment variation upon excitation, the quantity related to the electronic excitation energy. Linear regression, gradient boosting, and artificial neural network- based models were considered using cross-validation on the training dataset. Gradient boosting approach proved to be the most accurate for both internal (<em>R<sup>2</sup></em> = 0.77) and external (<em>R<sup>2</sup></em> = 0.7) test sets.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 788-791"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743808","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
The preparation method of cells with boron nanoparticles to determine boron by direct current arc atomic emission spectrometry 研究了用直流电弧原子发射光谱法测定硼的纳米硼电池的制备方法
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.040
Tatiana Ya. Guselnikova , Alphiya R. Tsygankova , Polina A. Khaptakhanova , Sergey A. Uspenskii , Ivan A. Rasumov , Olga I. Solovieva , Vladimir V. Kanygin , Dmitrii Yu. Troitskii
{"title":"The preparation method of cells with boron nanoparticles to determine boron by direct current arc atomic emission spectrometry","authors":"Tatiana Ya. Guselnikova ,&nbsp;Alphiya R. Tsygankova ,&nbsp;Polina A. Khaptakhanova ,&nbsp;Sergey A. Uspenskii ,&nbsp;Ivan A. Rasumov ,&nbsp;Olga I. Solovieva ,&nbsp;Vladimir V. Kanygin ,&nbsp;Dmitrii Yu. Troitskii","doi":"10.1016/j.mencom.2024.10.040","DOIUrl":"10.1016/j.mencom.2024.10.040","url":null,"abstract":"<div><div>An approach to quantify boron in cells after administration of boron nanoparticles (BNPs) stabilized in hydroxyethyl cellulose (HEC) was developed. <em>In vitro</em> experiments with human glioblastoma cells and BNPs stabilized in HEC were carried out. Cell samples with BNPs were dried on graphite powder under an infrared lamp and analyzed by direct current arc atomic emission spectrometry (DCA AES).</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 896-898"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744026","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
Photocatalytic intramolecular carboazidation of N-arylacrylamides into 3-(azidomethyl)indolin-2-ones 光催化n-芳基丙烯酰胺分子内碳氮化成3-（叠氮多甲基）吲哚-2-酮
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.021
Jue Wang , Mei Hong , Chengxian Liu , Liang Wang
{"title":"Photocatalytic intramolecular carboazidation of N-arylacrylamides into 3-(azidomethyl)indolin-2-ones","authors":"Jue Wang ,&nbsp;Mei Hong ,&nbsp;Chengxian Liu ,&nbsp;Liang Wang","doi":"10.1016/j.mencom.2024.10.021","DOIUrl":"10.1016/j.mencom.2024.10.021","url":null,"abstract":"<div><div>Intramolecular carboazidation of N-arylacrylamides with 1-azido-1λ<sup>3</sup>-benzo[<em>d</em>][1,2]iodaoxol-3(1<em>H</em>)-one (the N<sub>3</sub>-Togni reagent) affording 3-(azidomethyl)indolin-2-ones proceeds at room temperature under visible light irradiation with 2,4,5,6-tetra(carbazol-9-yl)-1,3-dicyanobenzene assistance. The latter provides the formation of azido radicals from the N<sub>3</sub>-Togni reagent. The investigated substrate scope involves 12 examples.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 834-836"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743927","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
Antioxidant and antiplatelet effect of nanodispersions with conjugate of glutathione and lipoic acid 谷胱甘肽-硫辛酸缀合物纳米分散体的抗氧化和抗血小板作用
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.037
Anna M. Inshakova , Vasiliy A. Shchelkonogov , Natalya S. Shastina , Andrey V. Chekanov , Olga A. Baranova , Margarita O. Sokolova , Anastasia K. Ivanova , Anatoly I. Fedin , Ella Yu. Solov’eva
{"title":"Antioxidant and antiplatelet effect of nanodispersions with conjugate of glutathione and lipoic acid","authors":"Anna M. Inshakova ,&nbsp;Vasiliy A. Shchelkonogov ,&nbsp;Natalya S. Shastina ,&nbsp;Andrey V. Chekanov ,&nbsp;Olga A. Baranova ,&nbsp;Margarita O. Sokolova ,&nbsp;Anastasia K. Ivanova ,&nbsp;Anatoly I. Fedin ,&nbsp;Ella Yu. Solov’eva","doi":"10.1016/j.mencom.2024.10.037","DOIUrl":"10.1016/j.mencom.2024.10.037","url":null,"abstract":"<div><div>To increase the therapeutic effectiveness of antioxidants (lipoic acid and glutathione) and improve their transport to target cells, various methods of modifying its substances are used. In this work, the synthesis of an amide derivative of lipoic acid and glutathione (GSH–LA) is performed, and GSH–LA nanodispersions based on Pluronic F68 are obtained. The most pronounced antioxidant and antiplatelet effects are exhibited by nanoparticles containing GSH–LA at the maximum tested concentration.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 887-889"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743930","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
Bis(triazole) derivatives of organodigermanes: synthesis, structure, and properties 双（三唑）有机双芒衍生物：合成、结构和性质
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.016
Kirill V. Zaitsev, Andrei D. Trubachev, Victor A. Tafeenko, Yurii F. Oprunenko
{"title":"Bis(triazole) derivatives of organodigermanes: synthesis, structure, and properties","authors":"Kirill V. Zaitsev,&nbsp;Andrei D. Trubachev,&nbsp;Victor A. Tafeenko,&nbsp;Yurii F. Oprunenko","doi":"10.1016/j.mencom.2024.10.016","DOIUrl":"10.1016/j.mencom.2024.10.016","url":null,"abstract":"<div><div>The synthesis and molecular structure of the triazole- containing organodigermane [(4,1-BnC<sub>2</sub>HN<sub>3</sub>)Ph<sub>2</sub>Ge]<sub>2</sub> (C<sub>2</sub>HN<sub>3</sub> is 1,2,3-triazole-4,1-diyl) obtained under various conditions of the copper(i)–azide/alkyne cycloaddition are reported. Effective σ,π-conjugation in the compound between Ge–Ge, aryl and heterocyclic groups was established. The optical properties (absorption and fluorescence) of the digermane in MeCN and MeCN/H<sub>2</sub>O were evaluated, indicating the influence of the solvent.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 819-821"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743817","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
Mn-catalyzed syngas-assisted reductive Knoevenagel condensation 锰催化合成气辅助还原性Knoevenagel缩合
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.020
Ivan V. Smirnov , Oleg I. Afanasyev , Klim O. Biriukov , Maria I. Godovikova , Denis A. Chusov
{"title":"Mn-catalyzed syngas-assisted reductive Knoevenagel condensation","authors":"Ivan V. Smirnov ,&nbsp;Oleg I. Afanasyev ,&nbsp;Klim O. Biriukov ,&nbsp;Maria I. Godovikova ,&nbsp;Denis A. Chusov","doi":"10.1016/j.mencom.2024.10.020","DOIUrl":"10.1016/j.mencom.2024.10.020","url":null,"abstract":"<div><div>Arene manganese π-complex was applied as a catalyst for the reductive Knoevenagel condensation. Syngas was used as a selective synergistic reducing agent providing the possibility to use 3d metal-based catalyst in such process. Demonstrated substrate scope indicates a high potential for this reaction in a medicinal chemistry.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 831-833"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743829","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
Reaction of benzonitriles with acetylene in the KOBut/DMSO/THF system: self-organization of 2-aryl-3-ethynyl-4-aroyl-5-methylpyrroles and aminoacroleins 二甲腈与乙炔在KOBut/DMSO/THF体系中的反应：2-芳基-3-乙基-4-芳基-5-甲基吡咯和氨基丙烯醛的自组织
IF 1.8 4区 化学
Mendeleev Communications Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.031
Elena Yu. Schmidt, Natal’ya A. Lobanova, Inna V. Tatarinova, Igor A. Ushakov, Boris A. Trofimov
{"title":"Reaction of benzonitriles with acetylene in the KOBut/DMSO/THF system: self-organization of 2-aryl-3-ethynyl-4-aroyl-5-methylpyrroles and aminoacroleins","authors":"Elena Yu. Schmidt,&nbsp;Natal’ya A. Lobanova,&nbsp;Inna V. Tatarinova,&nbsp;Igor A. Ushakov,&nbsp;Boris A. Trofimov","doi":"10.1016/j.mencom.2024.10.031","DOIUrl":"10.1016/j.mencom.2024.10.031","url":null,"abstract":"<div><div>Benzonitriles react with acetylene gas (12–14 °C, 15 min) in the KOBu<sup>t</sup>/DMSO/THF system to afford 2-aryl-3-ethynyl-4-aroyl-5-methylpyrroles and arylaminoacroleins that result from self-organization (in the presence of trace water) of two molecules of benzonitrile with three molecules of acetylene and one molecule of benzonitrile with one molecule of acetylene, respectively.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 868-870"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743922","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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