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Cationic glycerolipid as a templating agent for the synthesis of mesoporous silica nanoparticles 阳离子甘油脂作为模板剂用于合成介孔二氧化硅纳米颗粒
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.038
Olga V. Dement’eva , Elena M. Shishmakova , Anastasia V. Ivchenko , Maxim S. Staltsov , Alina A. Markova , Victor M. Rudoy
A new method for encapsulating cationic glycerolipids is proposed, based on their use as templating agents in the sol–gel synthesis of mesoporous silica particles. Using the example of rac-N-{4-[(2-ethoxy-3-octadecyloxyprop-1-yl)-oxycarbonyl]butyl}-N’-methylimidazolium iodide, it is shown that this method results in the formation of high-capacity container particles with a pronounced porous structure and a narrow size distribution.
基于阳离子甘油脂作为模板剂在溶胶-凝胶合成介孔二氧化硅颗粒中的应用,提出了一种包封阳离子甘油脂的新方法。以racc - n -{4-[(2-乙氧基-3-十八烷基丙基-1-基)-氧羰基]丁基}- n ' -甲基咪唑碘化物为例,表明该方法可形成具有明显多孔结构和尺寸分布窄的大容量容器颗粒。
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引用次数: 0
Synthesis, structure and properties of spin-labeled photosensitive chromone derivative 自旋标记光敏色素衍生物的合成、结构和性质
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.019
Kirill V. Agliulin , Andrey V. Stepanov , Vladimir N. Yarovenko , Mikhail M. Krayushkin , Evgeny V. Tretyakov , Darina I. Nasyrova , Valentina V. Ilyushenkova , Anton O. Ayt , Tatyana M. Valova
A new hybrid chromone derivative bearing α-bromofuryl, p-(iminomethyl)benzoyl and 2,2,6,6-tetramethylpiperidin-1- oxyl moieties was synthesized by the azomethine reaction involving 4-amino-TEMPO. The benzoyl moiety in this paramagnetic molecule is almost perpendicular to the chromone plane. Having been exposed to UV light, this paramagnet undergoes a transformation accompanied by appearance of intense absorption and luminescence bands with maxima at 420 and 500 nm, respectively, i.e., the presence of paramagnetic moiety does not interfere with generation of fluorescence.
以4-氨基- tempo为原料,通过亚甲亚胺反应合成了含有α-溴呋喃基、对(亚甲基)苯甲酰和2,2,6,6-四甲基哌啶-1-氧基的杂化色素衍生物。顺磁性分子中的苯甲酰部分几乎垂直于染色质平面。经紫外光照射后,顺磁体发生转变,并出现强烈的吸收带和最大发光带,分别在420 nm和500 nm处,即顺磁部分的存在不干扰荧光的产生。
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引用次数: 0
Novel synthesis of 1,6- and 1,4-dialkyl glycolurils and their supramolecular organization 1,6-和1,4-二烷基糖醛酸的新合成及其超分子组织
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.032
Vladimir V. Baranov , Maria M. Antonova , Svetlana A. Aksenova , Natalya G. Kolotyrkina , Angelina N. Kravchenko
New regioselective reaction of 1-alkyl-5-hydroxy-4,5-diphenyl-1H-imidazol-2(5H)-one with alkylureas gives predominantly 1,6-dialkyl-3a,6a-diphenylglycolurils along with minor quantities of the 1,4-isomers. In case of propyl homologues, co-crystal of 1,6/1,4-dipropyl glycolurils would precipitate. Based on the analysis of the crystal packing of the products, new type of supramolecular chains for 1,4-disubstituted glycolurils has been identified.
1-烷基-5-羟基-4,5-二苯基- 1h -咪唑-2(5H)- 1与烷基脲的新区域选择性反应主要生成1,6-二烷基- 3,6 -二苯基糖基脲以及少量的1,4异构体。如果是丙基同系物,则会析出1,6/1,4-二丙基乙二醇共晶。通过对产物的晶体排列分析,鉴定出了1,4-二取代糖醛酸的新型超分子链。
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引用次数: 0
Regioselective arylation of (het)aryl fragment in 2-(het)aryl-1-methylperimidines under ruthenium catalysis 钌催化2-(het)芳基-1-甲基亚嘧啶中(het)芳基片段的区域选择性芳化
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.033
Konstantin E. Shepelenko , Irina G. Gnatiuk , Andrey A. Aleksandrov , Mikhail E. Minyaev , Victor M. Chernyshev
The ruthenium-catalyzed reaction of 2-(het)aryl-1-methyl- perimidines with aryl bromides proceeds as regioselective CH ortho-arylation of the (het)aryl fragment, perimidine core acting as a directing group. The reaction is selective and tolerates to different functional groups in aryl bromide thus allowing further functionalization of the obtained products.
钌催化2-(het)芳基-1-甲基-亚酰基与芳基溴的反应是(het)芳基片段的区域选择性CH邻芳基化,亚酰基核作为导向基团。该反应具有选择性,对芳基溴中的不同官能团具有耐受性,从而允许得到的产物进一步功能化。
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引用次数: 0
First example of isatin used in four-component synthesis of ionic unsymmetrical scaffold with three different heterocyclic rings isatin在含三个不同杂环的离子不对称支架的四组分合成中的第一个例子
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.030
Michail N. Elinson, Yuliya E. Ryzhkova, Varvara M. Kalashnikova, Alexander O. Chizhov, Artem N. Fakhrutdinov, Mikhail P. Egorov
The new type of four-component tandem Knoevenagel–Michael reaction was found: isatins, barbituric acids, malononitrile and morpholine at ambient temperature and without catalysts selectively form new non-symmetrical ionic scaffold, namely, morpholin-4-ium 5-(3-dicyanomethyl-2-oxoindolin-3-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydropyrimidin-4-olate derivatives, in 80-98% yields. Their structure was confirmed using 2D NMR such as 1H-1H COSY, 1H-13C HSQC, and 1H-13C HMBC correlation experiments. The products seem promising as they contain three different pharmacologically active heterocyclic rings.
发现了一种新型的四组分串联Knoevenagel-Michael反应:isatins、巴比妥酸、丙二腈和啉在常温下无催化剂条件下选择性地形成新的非对称离子支架,即morpholin-4-ium 5-(3-二氰甲基-2-氧吲哚啉-3-基)-1,3-二甲基-2,6-二氧基-1,2,3,6-四氢嘧啶-4-olate衍生物,收率为80-98%。通过二维核磁共振1H-1H COSY、1H-13C HSQC和1H-13C HMBC相关实验证实了它们的结构。这些产品似乎很有希望,因为它们含有三种不同的药理活性杂环。
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引用次数: 0
On evaluating the possibility of synthesizing virtually designed polymers 评价合成虚拟设计聚合物的可能性
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.008
Sergey V. Trepalin , Pavel V. Komarov , Andrey A. Knizhnik , Denis B. Shirabaykin , Alexander S. Sinitsa , Boris V. Potapkin
A method for assessing the synthesis complexity of in silico designed polymers using the modified Synthetic Accessibility Score Index is presented. This index is calculated by decomposing a chemical structure into smaller fragments and evaluating their contribution to the overall score. Also discussed are the data sources for these estimates, ways to overcome ambiguity in the representation of the smallest repeating unit of polymers, and the problem of evaluating the stability of chemical structures stored in machine- generated databases.
提出了一种利用改进的合成可及性评分指数评价硅设计聚合物合成复杂性的方法。该指数是通过将化学结构分解成更小的片段并评估它们对总分的贡献来计算的。还讨论了这些估计的数据源,克服聚合物最小重复单元表示中的歧义的方法,以及评估存储在机器生成数据库中的化学结构的稳定性问题。
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引用次数: 0
Insight into design of 3-hydroxy-4-pyridinone functionalized with isoniazid fragment: structural characterization and antimycobacterial evaluation 异烟肼片段功能化3-羟基-4-吡啶酮的设计:结构表征和抑菌评价
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.026
Marina A. Katkova , Galina S. Zabrodina , Roman V. Rumyantcev , Grigory Yu. Zhigulin , Ivan V. Skabitsky , Irina G. Fomina , Olga B. Bekker , Sergey Yu. Ketkov , Igor L. Eremenko
A new 3-hydroxy-4-pyridinone ligand, viz. N-(3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl)isonicotinamide bearing isoniazid fragment, was synthesized and characterized. The differences in molecular and electronic structures of the product compared to the parent isoniazid (INH) were revealed by X-ray diffraction and DFT calculations. They are responsible for a dramatic decrease in the antimyco- bacterial activity of the product in comparison with INH.
合成了一种新的3-羟基-4-吡啶酮配体,即N-(3-羟基-2-甲基-4-氧-4-吡啶-1-基)异烟酰胺异烟肼片段。通过x射线衍射和DFT计算,揭示了产物与母体异烟肼(INH)分子和电子结构的差异。与INH相比,它们是导致产品抗真菌活性急剧下降的原因。
{"title":"Insight into design of 3-hydroxy-4-pyridinone functionalized with isoniazid fragment: structural characterization and antimycobacterial evaluation","authors":"Marina A. Katkova ,&nbsp;Galina S. Zabrodina ,&nbsp;Roman V. Rumyantcev ,&nbsp;Grigory Yu. Zhigulin ,&nbsp;Ivan V. Skabitsky ,&nbsp;Irina G. Fomina ,&nbsp;Olga B. Bekker ,&nbsp;Sergey Yu. Ketkov ,&nbsp;Igor L. Eremenko","doi":"10.1016/j.mencom.2024.10.026","DOIUrl":"10.1016/j.mencom.2024.10.026","url":null,"abstract":"<div><div>A new 3-hydroxy-4-pyridinone ligand, <em>viz</em>. <em>N</em>-(3-hydroxy-2-methyl-4-oxo-4<em>H</em>-pyridin-1-yl)isonicotinamide bearing isoniazid fragment, was synthesized and characterized. The differences in molecular and electronic structures of the product compared to the parent isoniazid (INH) were revealed by X-ray diffraction and DFT calculations. They are responsible for a dramatic decrease in the antimyco- bacterial activity of the product in comparison with INH.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 850-853"},"PeriodicalIF":1.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142743917","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
Nickel nanoparticles formation during Ni catalyst activation revealed by identical location electron microscopy 同位电镜观察镍催化剂活化过程中镍纳米颗粒的形成
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.041
Anton E. Dzhusupov , Evgeniy O. Pentsak
Formation of metallic nickel nanoparticles was observed during nickel catalyst activation in hydrogen flow at high temperature. The scale of change in catalyst morphology was determined via identical location electron microscopy.
研究了高温氢流活化镍催化剂过程中金属镍纳米颗粒的形成。通过同位电镜测定催化剂形态变化的尺度。
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引用次数: 0
CuI and AgI scorpionate-like complexes based on sterically hindered tris(6-methyl-2-pyridyl)phosphine oxide 基于位阻三(6-甲基-2-吡啶基)氧化膦的CuI和AgI蝎蝎类配合物
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.014
Yan V. Demyanov , Irina Yu. Bagryanskaya , Alexander V. Artem’ev
The interaction of tris(6-methyl-2-pyridyl)phosphine oxide (L) with equimolar amounts of [Cu(MeCN)4]PF6 or AgClO4 in acetonitrile produces scorpionate-like complexes [M(L)(MeCN)]X (M = Cu and Ag; X = PF6- and ClO4-). At ambient temperature, these compounds exhibit orange (λmax = 608 nm) or turquoise (λmax = 490 nm) photo-luminescence with a quantum yield up to 16% and lifetimes of microsecond order.
三(6-甲基-2-吡啶基)氧化膦(L)与等摩尔量的[Cu(MeCN)4]PF6或AgClO4在乙腈中相互作用生成蝎蝎状配合物[M(L)(MeCN)]X (M = Cu和Ag);X = PF6-和ClO4-)。在室温下,这些化合物表现出橙色(λmax = 608 nm)或绿松石色(λmax = 490 nm)的光致发光,量子产率高达16%,寿命达到微秒级。
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引用次数: 0
A novel mechanochemical synthesis of cyclopentadienyl-type Ni/NHC complexes 一种新的环戊二烯型Ni/NHC配合物的机械化学合成方法
IF 1.8 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1016/j.mencom.2024.10.017
Oleg V. Khazipov, Anastasia S. Pyatachenko, Victor M. Chernyshev
A user-friendly and highly efficient mechanochemical synthesis of Ni/NHC complexes of the general formula (NHC)Ni(Cp)Cl (NHC is an N-heterocyclic carbene ligand; Cp is the cyclopentadienyl anion) under aerobic conditions is reported. The reaction between nickelocene and azolium salts (NHC proligands) proceeds with good to excellent yields of (NHC)Ni(Cp)Cl in the presence of a K2CO3 additive, which reduces the clumping of the reaction mixture. The developed process can be scaled up on a planetary ball mill.
一种方便、高效的机械化学合成Ni/NHC配合物的通式(NHC)Ni(Cp)Cl (NHC)是n -杂环碳配体;Cp是环戊二烯阴离子)在好氧条件下的报道。在K2CO3添加剂的存在下,二茂镍与氮盐(NHC前配体)的反应得到了(NHC)Ni(Cp)Cl的良好收率,减少了反应混合物的结块。所开发的工艺可以在行星球磨机上按比例放大。
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引用次数: 0
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Mendeleev Communications
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