Beilstein Journal of Organic Chemistry最新文献_第9页

Photoluminescence color-tuning with polymer-dispersed fluorescent films containing two fluorinated diphenylacetylene-type fluorophores. 利用含有两种氟化二苯基乙炔型荧光团的聚合物分散荧光膜进行光致发光颜色调节。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-23 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.225

Kazuki Kobayashi, Shigeyuki Yamada, Motohiro Yasui, Tsutomu Konno

{"title":"Photoluminescence color-tuning with polymer-dispersed fluorescent films containing two fluorinated diphenylacetylene-type fluorophores.","authors":"Kazuki Kobayashi, Shigeyuki Yamada, Motohiro Yasui, Tsutomu Konno","doi":"10.3762/bjoc.20.225","DOIUrl":"10.3762/bjoc.20.225","url":null,"abstract":"The development of organic light-emitting devices has driven demand for new luminescent materials, particularly after the 2001 discovery of aggregation-induced emission. This study focuses on fluorinated diphenylacetylene-based luminescent molecules, revealing that specific molecular modifications can enhance fluorescence and achieve a wide range of photoluminescence colors. A simple and effective luminescence color-tuning method is proposed to investigate the photoluminescence behavior of two-component polymer dispersion films blended with two types of fluorinated diphenylacetylenes, namely blue- and yellow- or red-fluorescent fluorinated diphenylacetylenes. It is confirmed that if blue and green-yellow or yellow fluorophores are blended in appropriate ratios, a binary blend with color coordinates (0.20, 0.32) can be achieved, which approaches the white point of pure white emission. These findings contribute to the development of effective lighting and display devices as new white-light-emitting materials.","PeriodicalId":8756,"journal":{"name":"Beilstein Journal of Organic Chemistry","volume":"20 ","pages":"2682-2690"},"PeriodicalIF":2.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11514438/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational design for enantioselective CO₂ capture: asymmetric frustrated Lewis pairs in epoxide transformations. 对映选择性二氧化碳捕获的计算设计：环氧化物转化中的不对称受挫路易斯对。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-22 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.224

Maxime Ferrer, Iñigo Iribarren, Tim Renningholtz, Ibon Alkorta, Cristina Trujillo

{"title":"Computational design for enantioselective CO2 capture: asymmetric frustrated Lewis pairs in epoxide transformations.","authors":"Maxime Ferrer, Iñigo Iribarren, Tim Renningholtz, Ibon Alkorta, Cristina Trujillo","doi":"10.3762/bjoc.20.224","DOIUrl":"10.3762/bjoc.20.224","url":null,"abstract":"Carbon capture and utilisation (CCU) technologies offer a compelling strategy to mitigate rising atmospheric carbon dioxide levels. Despite extensive research on the CO2 insertion into epoxides to form cyclic carbonates, the stereochemical implications of this reaction have been largely overlooked, despite the prevalence of racemic epoxide solutions. This study introduces an in silico approach to design asymmetric frustrated Lewis pairs (FLPs) aimed at controlling reaction stereochemistry. Four FLP scaffolds, incorporating diverse Lewis acids (LA), Lewis bases (LB), and substituents, were assessed via volcano plot analysis to identify the most promising catalysts. By strategically modifying LB substituents to induce asymmetry, a stereoselective catalytic scaffold was developed, favouring one enantiomer from both epoxide enantiomers. This work advances the in silico design of FLPs, highlighting their potential as asymmetric CCU catalysts with implications for optimising catalyst efficiency and selectivity in sustainable chemistry applications.","PeriodicalId":8756,"journal":{"name":"Beilstein Journal of Organic Chemistry","volume":"20 ","pages":"2668-2681"},"PeriodicalIF":2.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11514440/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transition-metal-free decarbonylation-oxidation of 3-arylbenzofuran-2(3H)-ones: access to 2-hydroxybenzophenones. 3- 芳基苯并呋喃-2(3H)-酮的无过渡金属脱羰基氧化反应：获得 2-羟基二苯甲酮。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-21 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.223

Bhaskar B Dhotare, Seema V Kanojia, Chahna K Sakhiya, Amey Wadawale, Dibakar Goswami

引用次数: 0

The scent gland composition of the Mangshan pit viper, Protobothrops mangshanensis. 莽山蝮蛇（Protobothrops mangshanensis）的香腺成分。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-18 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.222

Jonas Holste, Paul Weldon, Donald Boyer, Stefan Schulz

{"title":"The scent gland composition of the Mangshan pit viper, Protobothrops mangshanensis.","authors":"Jonas Holste, Paul Weldon, Donald Boyer, Stefan Schulz","doi":"10.3762/bjoc.20.222","DOIUrl":"https://doi.org/10.3762/bjoc.20.222","url":null,"abstract":"The Mangshan pit viper, Protobothrops mangshanensis, is a rare, highly endangered snake native to the mountainous regions of Hunan Province in China. Snakes possess abdominal scent glands, which have been chemically studied in several species. These glands can contain various lipids and peptides, but very often also complex mixtures of carboxylic acids. We report here the occurrence of novel methyl-branched unsaturated acids found in the secretions of six captive individuals living in a zoo. The structures of these compounds, 4.6-dimethylalk-5-enoates in a homologous series from C11-C16, were characterized by GC-MS and GC-IR analysis and various microderivatization reactions including hydrogenation and esterification leading to methyl and pyridylmethyl esters. In addition, dimethyloxazoline formation helped to localize the double bond. The synthesis of methyl 4,6-dimethyldodec-5-enoate allowed the correct assignment of structures and showed the (E)-configuration of the double bond for the major naturally occurring diastereomers. These acids occur in small amounts compared to the major glandular components, cholesterol, and 1-O-hexadecylglycerol, as well as other common long-chain alcohols and amides. Although a general defensive function has been proposed for snake abdominal scent glands, the specific chemistry and moderate amounts of acids reported here may suggest a function in chemical signaling for the Mangshan pit viper. In addition, proline-containing diketopiperazines were identified for the first time in snake scent glands, although an artificial formation from amino acids likely present in the secretion cannot be excluded.","PeriodicalId":8756,"journal":{"name":"Beilstein Journal of Organic Chemistry","volume":"20 ","pages":"2644-2654"},"PeriodicalIF":2.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496706/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142493884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical study. 解密γ-环糊精疏水腔水合机制：一项综合实验和理论研究。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-17 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.221

Stiliyana Pereva, Stefan Dobrev, Tsveta Sarafska, Valya Nikolova, Silvia Angelova, Tony Spassov, Todor Dudev

{"title":"Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical study.","authors":"Stiliyana Pereva, Stefan Dobrev, Tsveta Sarafska, Valya Nikolova, Silvia Angelova, Tony Spassov, Todor Dudev","doi":"10.3762/bjoc.20.221","DOIUrl":"https://doi.org/10.3762/bjoc.20.221","url":null,"abstract":"Cyclodextrins (CDs) are host systems with inherent capability for inclusion complex formation with various molecular entities, mostly hydrophobic substances. Host CDs are highly accommodative to water molecules as well and usually contain water in the native state. There is still an ongoing discussion on both the total number of water molecules and their preferred binding position inside the cavities of the CDs. To understand the hydration/dehydration properties of γ-CD (the largest of the three most abundant native CDs), the main experimental methods applied in this study were differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). By coupling these techniques with density functional theory (DFT) calculations we try to shed some light on the mechanism of the γ-CD hydration and to address some unanswered questions: (i) what are the preferable locations for water molecules in the macrocyclic cavity (\"hot spots\"); (ii) what are the major factors contributing to the stability of the water cluster in the CD interior; (iii) what type of interactions (i.e., water-water and/or water-CD walls) contribute to the stability of the water assemble; (iv) how does the mechanism of the γ-CD hydration compare with those of its α-CD and β-CD counterparts.","PeriodicalId":8756,"journal":{"name":"Beilstein Journal of Organic Chemistry","volume":"20 ","pages":"2635-2643"},"PeriodicalIF":2.2,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496703/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142493883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient modification of peroxydisulfate oxidation reactions of nitrogen-containing heterocycles 6-methyluracil and pyridine. 有效改良含氮杂环 6-甲基尿嘧啶和吡啶的过硫酸盐氧化反应。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.219

Alfiya Raisovna Gimadieva, Yuliya Zulkifovna Khazimullina, Aigiza Aidarovna Gilimkhanova, Akhat Gaziz Anovich Mustafin

引用次数: 0

Applications of microscopy and small angle scattering techniques for the characterisation of supramolecular gels. 应用显微镜和小角散射技术表征超分子凝胶。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.220

Connor R M MacDonald, Emily R Draper

引用次数: 0

Synthesis and cytotoxicity studies of novel N-arylbenzo[h]quinazolin-2-amines. 新型 N-芳基苯并[h]喹唑啉-2-胺的合成和细胞毒性研究。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-14 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.218

Battini Veeraiah, Kishore Ramineni, Dabbugoddu Brahmaiah, Nangunoori Sampath Kumar, Hélène Solhi, Rémy Le Guevel, Chada Raji Reddy, Frédéric Justaud, René Grée

引用次数: 0

Base-promoted cascade recyclization of allomaltol derivatives containing an amide fragment into substituted 3-(1-hydroxyethylidene)tetronic acids. 含有酰胺片段的异麦芽酮醇衍生物在碱促进下级联再生成取代的 3-(1-羟基亚乙基)四酸。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-14 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.217

Andrey Nikolaevich Komogortsev, Constantine Vyacheslavovich Milyutin, Boris Valerievich Lichitsky

{"title":"Base-promoted cascade recyclization of allomaltol derivatives containing an amide fragment into substituted 3-(1-hydroxyethylidene)tetronic acids.","authors":"Andrey Nikolaevich Komogortsev, Constantine Vyacheslavovich Milyutin, Boris Valerievich Lichitsky","doi":"10.3762/bjoc.20.217","DOIUrl":"https://doi.org/10.3762/bjoc.20.217","url":null,"abstract":"For the first time, recyclization of allomaltol derivatives with an amide fragment in the side chain were investigated. It was shown that the studied process leads to substituted tetronic acids bearing a pyrrolidinone moiety. The application of 1,1'-carbonyldiimidazole and DBU is necessary for implementation of the considered reaction. Based on the performed research a general method for the synthesis of a wide range of (3E,5E)-3-(1-hydroxyethylidene)-5-(5-oxopyrrolidin-2-ylidene)furan-2,4(3H,5H)-diones was elaborated. The advantages of the presented protocol are easily available starting compounds and simple isolation of the target products without chromatographic purification. The synthetic utility of the prepared tetronic acids was demonstrated by further transformations at the hydroxyethylidene fragment. The structures of one obtained tetronic acid and one product of derivatization were confirmed by X-ray analysis.","PeriodicalId":8756,"journal":{"name":"Beilstein Journal of Organic Chemistry","volume":"20 ","pages":"2585-2591"},"PeriodicalIF":2.2,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496715/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142493882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transition-metal-free synthesis of arylboronates via thermal generation of aryl radicals from triarylbismuthines in air. 在空气中通过热力从三芳基铋生成芳基自由基的无过渡金属芳基硼酸盐合成。

IF 2.2 4区化学

Beilstein Journal of Organic Chemistry Pub Date : 2024-10-11 eCollection Date: 2024-01-01 DOI: 10.3762/bjoc.20.216

Yuki Yamamoto, Yuki Konakazawa, Kohsuke Fujiwara, Akiya Ogawa

引用次数: 0