检索结果-内蒙古大学图书馆

MARVEL analysis of high-resolution rovibrational spectra of 17O13c18O and 17O13c17O

Journal of Quantitative Spectroscopy and Radiative Transfer 2025年 343卷

作者： Azzam, Ala'a A.A. AlAlawin, Joud M.A. Tennyson, Jonathan Furtenbacher, Tibor császár, Attila G. Research Department AstroJo Institute Wasfi Al-Tal St Amman Jordan Department of Physics The University of Jordan Queen Rania St Amman Jordan Department of Physics and Astronomy University College London Gower Street LondonWC1E 6BT United Kingdom ELTE Eötvös Loránd University Institute of Chemistry Pázmány Péter sétány 1/A BudapestH-1117 Hungary

Spectroscopic networks, based on rovibrational line-center measurements found in 10/5 literature sources, are presented for the triply substituted carbon dioxide isotopologues 17O13c18O/17O13c17O (738/737, according to a well-established shorthand notation followed in this study). For 738/737, the spectroscopic networks contain 2058(1488)/1831(1349) measured(unique) transitions, belonging to 25/22 vibrational bands. The transitions collected for 738 and 737 span the wavenumber regions 623−7888 and 624−6739cm−1, respectively. These spectroscopic networks determine 945 and 877 empirical rovibrational energy levels for 738 and 737, respectively, extracted with the help of the MARVEL (Measured Active Rotational–Vibrational Energy Levels) protocol and code. The energy levels of 738/737 span the range of 0−8762/0−7201hccm−1 and the polyads from 0 to 11 for 738 and from 0 to 10 for 737. A detailed comparison of the empirical rovibrational energy levels of this study with their counterparts in two published databases, cDSD-296, and Ames-2021, shows very good overall agreement. © 2025 The Author(s)

关键词： Rovibrational energy levels cO 2 17 O 13 c 18 O 17 O 13 c 17 O Line positions Transitions MARVEL

来源：评论

学校读者我要写书评

暂无评论

Synthesis of Dibenzopyranones via Visible Light‐Mediated Pd‐catalyzed Esterification/c─H Activation cascade

引用

Asian Journal of Organic chemistry 2025年

作者： Padon chuentragool Teesuda Sirichai Aurapat Ngamnithiporn Somsak Ruchirawat Laboratory of Medicinal Chemistry Chulabhorn Research Institute 54 Kamphaeng Phet 6 Road Bangkok 10210 Thailand Centre of Excellence on Environmental Health and Toxicology Office of the Permanent Secretary (OPS) Ministry of Higher Education Research and Innovation (MHESI) Bangkok 10400 Thailand Program in Chemical Sciences Chulabhorn Graduate Institute Chulabhorn Royal Academy Bangkok 10210 Thailand

Dibenzopyranone is a privileged structure in natural products that exhibits multiple fascinating properties. Reported herein, is the synthesis of dibenzopyranone from o ‐bromo benzoic acids and aryl formates. The combination of a Pd‐catalyst and light irradiation allows the reaction to proceed under mild conditions at room temperature. Preliminary mechanistic studies suggested that the reaction undergoes an esterification process followed by a cyclization to form the dibenzopyranone ring structure. This method provides a complementary approach for the synthesis of substituted benzo[ c ]chromen‐6‐one from readily available materials.

关键词： benzo[ c ]chromen‐6‐one c─H functionalization Dibenzopyranone Light‐induced reaction Pd‐catalyzed reaction

来源：评论

学校读者我要写书评

暂无评论

characterization of the interaction between human cytochrome c and transfer RNA phe

引用

Magnetic Resonance Letters 2025年

作者： Guangqing Zhang Jianhua Zhan Xin chai Bin Jiang Maili Liu Xu Zhang Danyun Zeng Key Laboratory of Magnetic Resonance in Biological Systems State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics National Center for Magnetic Resonance in Wuhan Innovation Academy for Precision Measurement of Science and Technology Chinese Academy of Sciences Wuhan 430071 China University of Chinese Academy of Sciences Beijing 100049 China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Wuhan 430074 China Optics Valley Laboratory Wuhan 430074 China

cytochrome c (cyt c ) is released from mitochondria into the cytosol upon apoptotic stimulation, ultimately triggering programmed cell death. Recent studies have revealed that transfer RNA (tRNA) interacts with cyt c , impeding the formation of the apoptosome complex and thereby suppressing apoptosis. To elucidate the molecular mechanism underlying the interaction between cyt c and tRNA, nuclear magnetic resonance (NMR)-based chemical shift perturbation and intensity analysis were employed to characterize the binding interface between cyt c and tRNA phe . The findings demonstrate that cyt c primarily engages with tRNA phe through its 70-85 Ω-loop and N-terminal α-helix. This interaction sterically hinders the accessibility of small molecules, such as H 2 O 2 , to the hydrophobic pocket of cyt c , consequently attenuating its peroxidase activity. Furthermore, oxidative modification of cyt c , particularly the carbonylation of positively charged lysine residues, weakens this interaction.

关键词： interaction NMR cytochrome c tRNA oxidative modification

来源：评论

学校读者我要写书评

暂无评论

Integrated filler metal/base metal manufacturing via cold spray additive manufacturing for brazing c f /Sic and superalloy

Transactions of Materials Research

引用

Transactions of Materials Research 2025年第1期1卷

作者： Pengcheng Wang Weihan Liu Lei Gu Hao Ran Xiaoguo Song Zhaoyi Pan Haiyan chen Wenya Li State Key Laboratory of Solidification Processing Shaanxi Key Laboratory of Friction Welding Technologies Northwestern Polytechnical University Xi'an 710072 China State Key Laboratory of Advanced Welding and Joining Harbin Institute of Technology Harbin 150001 China Xi'an Space Engine Company Limited Xi'an 710072 China

A new integrated filler metal/base metal manufacturing method by cold spray additive manufacturing is proposed. The integrated cuTi filler metal/GH3536 and cuTi + W composite filler metal/GH3536 are prepared by cold spray additive manufacturing techniques. The large plastic deformation of cu and Ti particles and the tamping effect of W particles promote the interfacial bonding of particles, which improves the weldability of cold sprayed cuTi + W composite filler metals. Based on the cold sprayed cuTi + W composite filler metal, the c f /Sic composites and GH3536 are successfully brazed, and the typical microstructure and brazing mechanism are investigated. As a result, the shear strength of c f /Sic-GH3536 joint brazed by cold sprayed cuTi + W composite filler metal reaches 77 MPa. This study highlightes the great potential of cold spray additive manufacturing for integrated filler metal/base metal manufacturing in brazing.

关键词： Brazing cold spray additive manufacturing composite filler Interface reaction c f /Sic composite

来源：评论

学校读者我要写书评

暂无评论

Theoretical prediction of electronic, mechanical, and thermodynamic properties of layered ternary compounds (Uc) n M 3 c 2 (M=Si or Al;n=1,2) and two-dimensional U 2 c

引用

Nuclear Engineering and Technology 2025年第10期57卷

作者： Yaxian Shi chengzhen Miao Yujuan Zhang Jianhui Lan Xuwen Zhao changchun Ge Xinggang Li School of Materials Science and Engineering University of Science and Technology Beijing 100083 Beijing China Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety Institute of High Energy Physics Chinese Academy of Sciences 100049 Beijing China Department of Materials Science and Engineering Southern University of Science and Technology (SUSTech) Shenzhen 518055 China

Following the 2011 Fukushima Daiichi nuclear catastrophe, there has been a significant surge in interest towards innovative materials capable of enhancing the safety, performance, and efficiency of nuclear reactors. This study introduces a new class of layered ternary compounds, specifically (Uc) n Si 3 c 2 (n = 1,2), and derived two-dimensional (2D) U 2 c, discovered through first-principles calculations. We predict the electronic, mechanical, and thermodynamic properties of these compounds within the PBE and PBE + U frameworks, with a comparative analysis of the (Uc) n Al 3 c 2 (n = 1,2) series. Our findings reveal that the USi 3 c 3 and U 2 Si 3 c 4 compounds exhibit mechanical and dynamic stabilities, suggesting their potential for experimental synthesis under specific conditions. These compounds demonstrate superior mechanical and thermal properties as nuclear fuels, including higher elastic moduli and improved ductility compared to (Uc) n Al 3 c 2 compounds. The mechanical and dynamical stabilities of 2D U 2 c are confirmed, and the calculated thermal conductivity and mechanical properties position it as a promising candidate for high-performance nuclear fuel applications. We anticipate that the present work will bolster future experimental endeavors and help explore the practical applications of these novel materials in future nuclear systems.

关键词： Ternary layered carbides 2D U 2 c First-principle calculations Novel nuclear fuels

来源：评论

学校读者我要写书评

暂无评论

Photocatalytic coupling of N-Heteroarenes and Alkanes/Ethers with ce-Doped g-c3N4 and Bu4Ncl

引用

Synfacts 2025年第3期21卷 281-281页

作者： Yasuhiro Uozumi Kenji Tsukamoto

来源：评论

学校读者我要写书评

暂无评论

Z-scheme Ti 3 c 2 MXene@ceO 2 heterostructures for efficient and secondary pollution free photodegradation of pharmaceutical drug

引用

Nano Materials Science 2025年

作者： Muhammad Ali Abbasi Anna Pestereva Khuram Shahzad Madiha Khan Neri Giovanni Mika Sillanpää Enza Fazio c. corsaro Anna Orlova International Research and Education Centre for Physics of Nanostructures ITMO University Saint Petersburg 197101 Russia Department of Physics Baba Guru Nanak University Nankana Sahib 39100 Punjab Pakistan Department of Engineering University of Messina C.da Di Dio 98166 Messina Italy Functional Materials Group Gulf University for Science and Technology Mubarak Al-Abdullah 32093 Kuwait Adnan Kassar School of Business Lebanese American University Beirut 13-5053 Lebanon Department of Mathematical and Computational Sciences Physics Science and Earth Science University of Messina Viale F. Stagno d’Alcontres 31 Messina I-98166 Italy

The increasing concentrations of emerging organic contaminants (EOcs) in wastewater threaten human health and the environment. Their complex structures, low concentrations, and conversion into secondary metabolites challenge current remediation techniques. This study presents the Z-scheme Ti 3 c 2 MXene@ceO 2 (MX@ceO 2 ) heterostructures, synthesized by a facile in-situ sonochemical method, aimed at enhancing photocatalytic mineralization of highly toxic Doxorubicin (DOX) drug. Our findings reveal that the unique surface and structural properties of Ti 3 c 2 MXene facilitated the effective nucleation and growth of the ceO 2 . The growth mechanisms involved the adsorption of ce atoms through negatively charged functional groups, and anchoring to surface defects and vacancies in Ti 3 c 2 MXene. The formation of intimate interfacial heterojunctions between Ti 3 c 2 MXene and ceO 2 not only facilitated the charge separation and utilization but also improved the photostability, thereby improving the catalytic performance of the composite. Photodegradation experiments demonstrated 96% removal of DOX within 240 min of visible light exposure. Moreover, high-performance liquid chromatography analysis confirmed the complete mineralization of DOX. The post degradation analysis revealed the minimal cytotoxicity induced by photodegraded residues. The stability and sustained catalytic efficiency of MX@ceO 2 in degrading DOX into non-toxic residues position such Z-scheme heterostructures as promising candidates for long-term remediation of EOcs.

关键词： Ti 3 c 2 MXene ceO 2 Z-Scheme photocatalysis Photodegradation Doxorubicin

来源：评论

学校读者我要写书评

暂无评论

Dual activation pathways based on OH-functionalized alk-Ti 3 c 2 MXene/RuO x boosting the hydrogen generation

引用

chinese chemical Letters 2025年

作者： chongbei Wu Benzhi Wang Xuan Li Jiaxuan Gu Yihan Wu Zhe Zhao Pengfei Jia Jizhou Jiang Hebei Key Laboratory of Man-machine Environmental Thermal Control Technology and Equipment Hebei Center for Industrial Energy-saving and Pollution Control Research Hebei Vocational University of Technology and Engineering Xingtai 054000 China School of Mechanical Engineering and Institute of Advanced Machinery & Technology Sungkyunkwan University 2066 Seobu-ro Suwon 16419 Republic of Korea School of Material Science and Engineering Key Laboratory of Green Chemical Engineering Process of Ministry of Education Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Wuhan Institute of Technology Wuhan 430205 China

A meticulous design of the local environment at the interface between active species and the support, aimed at optimizing the adsorption of H 2 O molecules and BH 4 ⁻ anion, offers an ideal strategy for enhancing hydrogen generation via NaBH 4 hydrolysis through dual activation pathways. Theoretical predictions based on d-band center analysis and electron transfer calculations suggest that introducing -OH functional groups induce charge redistribution, enhancing charge concentration on alk-Ti 3 c 2 and facilitating the adsorption and activation of dual active species, H 2 O molecules and BH 4 ⁻ anion. Inspired by these predictions, the optimized alk-Ti 3 c 2 /RuO x catalyst demonstrates the highest catalytic activity, achieving a hydrogen generation rate (HGR) of 9468 mL min −1 g cat. −1 . Both experimental data and theoretical analyses confirm that the -OH functional groups promote charge enrichment on alk-Ti 3 c 2 , optimizing the adsorption of H 2 O molecules and BH 4 ⁻ anion, and reducing the dissociation energy barrier of the *OH-H-TS intermediate. This dual activation pathways mechanism lowers the activation energy for NaBH 4 hydrolysis, significantly enhancing the HGR performance. These findings, guided by theoretical insights, establish alk-Ti 3 c 2 /RuO x as an efficient catalyst for NaBH 4 hydrolysis and provide a strong foundation for future hydrogen generation catalyst designs.

关键词： Alk-Ti 3 c 2 /RuO x NaBH 4 hydrolysis Dual activation pathways Theoretical calculation catalytic mechanism

来源：评论

学校读者我要写书评

暂无评论

Radical dehydroxylative c -glycosylation of 1-hydroxycarbohydrates enabled by photoredox catalysis

Green Synthesis and Catalysis

引用

Green Synthesis and catalysis 2025年

作者： Wenyan Shi Xingxiu Yan Wuyin Wang Zhijun Sun Hong Yi Aiwen Lei College of Chemistry and Molecular Sciences Wuhan University Wuhan 430072 Hubei China The Institute for Advanced Studies (IAS) Wuhan University Wuhan 430072 Hubei China State Key Laboratory of Oral & Maxillofacial Reconstruction and Regeneration Key Laboratory of Oral Biomedicine Minis-try of Education Wuhan 430072 Hubei China Hubei Key Laboratory of Stomatology School & Hospital of Stomatology Frontier Science Center for Immunology and Metabolism Wuhan University Wuhan 430072 Hubei China

c -Glycosides, known for their superior in vivo stability compared to their O - and N -glycoside counterparts, have been widely explored as drug candidates and utilized in biological research. Traditional radical c-glycosidation techniques have relied on precursors such as glycosyl halides and glycosyl sulfones. These methods, however, face several challenges, including the instability of glycosyl precursors, the requirement for multi-step synthesis, and limited practicality. Herein, we present a straightforward, metal-free method to synthesize both sp 2 and sp 3 c-glycosides with high stereoselectivity via direct deoxy-glycosidation of readily available and stable 1-hydroxycarbohydrates. Mechanistic investigations indicate the involvement of glycosyl radicals in the reaction. cellular assays reveal the antitumor activity of the synthesized products, which underscores the potential of this strategy in medicinal chemistry.

关键词： Deoxyfunctionalization NHc c -glycosides carbohydrates Photoredox

来源：评论

学校读者我要写书评

暂无评论

Sources and fate of dissolved sulphate, carbonate, and nitrate in groundwater of the temperate climate zone: a high-resolution multi-isotope (H, c, O, S) study in north-eastern Germany**

引用

Isotopenpraxis Isotopes in Environmental and Health Studies 2025年第1期61卷

作者： Anna-Kathrina Jenner christoph Malik Gerd Böttcher Patricia Roeser Matthias Gehre Iris Schmiedinger Michael Ernst Böttcher a Geochemistry & Isotope Biogeochemistry Leibniz Institute for Baltic Sea Research (IOW) Warnemünde Germany a Geochemistry & Isotope Biogeochemistry Leibniz Institute for Baltic Sea Research (IOW) Warnemünde Germanyb Institute for Geography and Geology University of Greifswald Greifswald Germanyc Department of Hydrogeology UmweltPlan GmbH Stralsund Stralsund Germany d Landesamt für Umwelt Naturschutz und Geologie (LUNG) Güstrow Germany e Department Technical Biogeochemistry Helmholtz Centre for Environmental Research- UFZ Leipzig Germany a Geochemistry & Isotope Biogeochemistry Leibniz Institute for Baltic Sea Research (IOW) Warnemünde Germanyb Institute for Geography and Geology University of Greifswald Greifswald Germanyf Interdisciplinary Faculty University of Rostock Rostock Germany

ABSTRAcTDifferent natural and anthropogenic drivers impact the groundwater in the catchment area of the southern Baltic Sea, north-eastern Germany. To understand the sources and fate of dissolved sulphate, carbonate, and nitrate on a regional scale, in the present study, the hydrogeochemical and multi-stable isotope (H, c, O, S) composition of groundwater samples from up to more than 300 sites (depths from near-surface down to 291 m) was studied. To investigate the element sources and the water–rock–microbe interaction processes that took place along the groundwater flow path, a mass balance approach is combined with physico-chemical modelling. Microbial oxidation of pyrite using nitrate as electron acceptor and a superimposition by dissimilatory sulphate reduction at depth is shown in a drilled vertical profile at one site. This trend frames the behaviour of sulphate at many investigated groundwater wells. Dissolved inorganic carbon (DIc) in the groundwater was found to be controlled by the uptake of biogenic carbon dioxide, the dissolution of carbonate minerals, thein situoxidation of DOc and, at a few sites, the formation and/or oxidation of biogenic methane. Enhanced groundwater DIc loads may potentially increase future cO2degassing to the atmosphere upon release of groundwaters to the surface. These results form a comprehensive base for understanding the present situation and for future investigations.

关键词： Groundwater spring water hydro-biogeochemistry stable isotopes (H c O S) sources of carbonate sulphate and nitrate denitrification pyrite oxidation microbial sulphate reduction Southern Baltic Sea North-eastern Germany

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：