Bulletin of the Korean Chemical Society最新文献

Cover Picture: Frontier Femtosecond Mid-Infrared Pump-Probe and 2DIR Techniques: Advances in Experimental Methodologies (BKCS 5/2025) Joongwon Shim, Kwanghee Park, Minhyuk Lee, Minharng Cho, JunWoo Kim, Kyungwon Kwak 封面图片：前沿飞秒中红外泵浦探针和2DIR技术：实验方法的进展(BKCS 5/2025

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-26 DOI: 10.1002/bkcs.12864

引用次数: 0

Dual-atom catalyst design for efficient hydrazine oxidation reaction: A density functional theory study 高效肼氧化反应的双原子催化剂设计：密度泛函理论研究

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-19 DOI: 10.1002/bkcs.70026

Hyeonwoo Kim, Hanna Jeon, Hyeyoung Shin

{"title":"Dual-atom catalyst design for efficient hydrazine oxidation reaction: A density functional theory study","authors":"Hyeonwoo Kim, Hanna Jeon, Hyeyoung Shin","doi":"10.1002/bkcs.70026","DOIUrl":"https://doi.org/10.1002/bkcs.70026","url":null,"abstract":"As climate change accelerates due to the continued use of fossil fuels, hydrogen production technologies that offer both high efficiency and environmental sustainability are urgently needed for the global energy transition. However, conventional water electrolysis is limited by the oxygen evolution reaction (OER), which suffers from sluggish kinetics and high overpotentials, significantly reducing overall energy efficiency. To address this challenge, the hydrazine oxidation reaction (HzOR) has emerged as a promising alternative, featuring more favorable reaction kinetics and lower overpotentials. Despite its advantages, the practical implementation of HzOR remains limited due to its reliance on noble metal-based catalysts, which are costly and scarce. In this study, we propose a dual-atom catalyst (DAC) design strategy for efficient HzOR, using combinations of noble and non-noble metals (NiCo, CoPt, and NiIr). Density functional theory (DFT) calculations were performed to evaluate their structural stability, electronic structures, and catalytic performance. The results reveal that heterometallic DACs can enhance HzOR activity by optimizing intermediate adsorption and lowering activation energy. Among the studied systems, NiCo Type-I demonstrates the most favorable balance of catalytic efficiency and electronic conductivity. This work highlights the potential of DACs as cost-effective and efficient HzOR catalysts and provides design insights for next-generation hydrogen production technologies aligned with global decarbonization goals.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 5","pages":"554-561"},"PeriodicalIF":1.7,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140279","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

Method development of amine-containing metabolite analysis using di-tert-butyl dicarbonate derivatization coupled with liquid chromatography-mass spectrometry 二碳酸二叔丁基衍生-液相色谱-质谱联用分析含胺代谢物方法的建立

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-14 DOI: 10.1002/bkcs.70027

Lei Peng, Jeong Joo Pyo, Soo Hyun Park, Yongsoo Choi

{"title":"Method development of amine-containing metabolite analysis using di-tert-butyl dicarbonate derivatization coupled with liquid chromatography-mass spectrometry","authors":"Lei Peng, Jeong Joo Pyo, Soo Hyun Park, Yongsoo Choi","doi":"10.1002/bkcs.70027","DOIUrl":"https://doi.org/10.1002/bkcs.70027","url":null,"abstract":"Amine metabolites play crucial roles in biological systems and serve as biomarkers for various diseases. In this study, we developed a cost-effective derivatization method based on N-tert-butyloxycarbonylation (Boc), which is the most affordable among previously reported amine derivatization methods. This environmentally friendly approach enhances the retention and detection of amine metabolites in reversed-phase liquid chromatography-mass spectrometry, with Boc derivatives demonstrating excellent stability for at least 20 days at 4°C and 60 days at −20°C. Importantly, Boc derivatization does not affect the signal intensity or the number of non-amine metabolites, ensuring the method's compatibility with untargeted metabolomics workflows. The effectiveness of this method was validated using immature rice seed extracts from japonica and indica cultivars. Boc derivatization enabled the signal detection of 54 amine metabolites, with comparative analysis identifying 11 significantly differentiated metabolites between the two rice varieties, including histidine, methionine, pipecolate, and GABA. The specificity and robustness of this method confirm its utility for discovering biologically relevant metabolites in complex biological and agricultural samples. With its simplicity, catalyst-free workflow, stability, and improved sensitivity, the Boc derivatization method represents a valuable tool for amine metabolite screening in metabolomics research, offering a cost-effective and efficient solution for untargeted analysis.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 5","pages":"562-569"},"PeriodicalIF":1.7,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140444","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

Advances in the synthesis and biological functionality of pyrazolines and pyrazoles from chalcone precursors 查尔酮前体吡唑啉和吡唑的合成及其生物功能研究进展

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-13 DOI: 10.1002/bkcs.70022

Priyanka Rani, Sudeep Dhillon, Ginna Kumari, Mamta Chahal, Deepak Kumar Aneja, Bhawna Pareek, Mayank Kinger

引用次数: 0

Derivatizing immobilization methods for TEMPO radicals in metal–organic frameworks: Toward efficient aerobic oxidation and sequential reactions 金属有机骨架中TEMPO自由基的衍生化固定化方法：迈向高效的有氧氧化和顺序反应

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-07 DOI: 10.1002/bkcs.70019

Seungheon Cha, Daeyeon Lee, Jiwon Kang, Jonghyeon Lee, Seongwoo Kim, Houng Kang, Soyoung Park, Min Kim

{"title":"Derivatizing immobilization methods for TEMPO radicals in metal–organic frameworks: Toward efficient aerobic oxidation and sequential reactions","authors":"Seungheon Cha, Daeyeon Lee, Jiwon Kang, Jonghyeon Lee, Seongwoo Kim, Houng Kang, Soyoung Park, Min Kim","doi":"10.1002/bkcs.70019","DOIUrl":"https://doi.org/10.1002/bkcs.70019","url":null,"abstract":"Metal–organic frameworks (MOFs) offer a versatile platform for immobilizing catalytically active species, enabling diverse organic transformations through their structural tunability and well-defined pore environments. This study investigates the covalent immobilization of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) radicals in Zr-based MOFs, synthesizing six distinct frameworks with varying linkages, including amides, esters, ethers, triazoles, and ureas. The catalytic efficiency of these MOFs was evaluated in the aerobic oxidation of secondary alcohols to ketones, highlighting the role of electronic effects, linker size, and TEMPO radical density. Furthermore, these systems enabled a sequential catalytic process for isoxazole synthesis via cycloaddition, yielding 16 isoxazoles with high efficiency. While Zr-based MOFs exhibited robust performance in the initial oxidation step, their crystallinity degraded under TBN-excess conditions during the cycloaddition step. Ce substitution on MOF structure partially mitigated this structural degradation, demonstrating potential for enhanced recyclability. These findings offer a comprehensive framework for designing TEMPO-immobilized MOFs with improved catalytic versatility and stability in oxidative transformations.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 5","pages":"468-480"},"PeriodicalIF":1.7,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70019","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140701","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

Dielectric environment effects on rylene-based organic fluorophores: A quantum mechanical study 介电环境对乙烯基有机荧光团的影响：量子力学研究

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-05-07 DOI: 10.1002/bkcs.70023

Larissa Kupriyanova, Banyu Firdaus Soeriawidjaja, Juyoung Hwang, Myeongkee Park, Minseok Kwak, Yeonjoon Kim

引用次数: 0

Cover Picture: X-Ray Imaging Methods for Multiscale Characterization of Batteries (BKCS 4/2025) Sebastian Kunze, Chihyun Nam, Hwiho Kim, Jinkyu Chung, Eunki Hong, Jaejung Song, Hanbi Choi, Jongwoo Lim 封面图：电池多尺度表征的x射线成像方法（BKCS 4/2025） Sebastian Kunze, Chihyun Nam, Hwiho Kim, Jinkyu Chung, Eunki Hong, Jaejung Song, Hanbi Choi, Jongwoo Lim

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-04-25 DOI: 10.1002/bkcs.12862

引用次数: 0

Radiosynthesis and evaluation of a 68Ga-labeled brominated benzamide derivative for detection of melanoma in small animals 68ga标记的溴化苯甲酰胺衍生物在小动物黑色素瘤检测中的放射合成及评价

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-04-24 DOI: 10.1002/bkcs.70024

Dagyeong Hong, Chaewon Lee, Boreum Song, Eunsu Kim, Yejin Seo, Jiyu Kim, Wookyeong Jeong, Seong-Young Kwon, Dong-Yeon Kim, Ayoung Pyo

{"title":"Radiosynthesis and evaluation of a 68Ga-labeled brominated benzamide derivative for detection of melanoma in small animals","authors":"Dagyeong Hong, Chaewon Lee, Boreum Song, Eunsu Kim, Yejin Seo, Jiyu Kim, Wookyeong Jeong, Seong-Young Kwon, Dong-Yeon Kim, Ayoung Pyo","doi":"10.1002/bkcs.70024","DOIUrl":"https://doi.org/10.1002/bkcs.70024","url":null,"abstract":"Malignant melanoma has the highest mortality rate of any skin cancer due to its aggressive nature and high potential for metastasis, and early diagnosis is critical for improving outcomes because of the limited treatment options available for patients. We synthesized a brominated benzamide derivative labeled with 68Ga and evaluated its biological properties as an imaging agent for detecting melanoma using positron emission tomography (PET). The eluted 68Ga was dissolved in 1.0 M NaOAc buffer and labeled with the synthesized precursor. The radiochemical yield and radiochemical purity of the 68Ga chelation complex were confirmed by radio-thin layer chromatography. In vitro uptake was measured in the murine melanoma cell line (B16F10), and in vivo studies were performed with B16F10-bearing mice. The total radiochemical yield was over 95% (n > 3), and the radiochemical purity was above 98%. The 68Ga-labeled compound showed high uptake in B16F10 cells activated with l-tyrosine (2 mM) (6561.48 ± 1067.52 counts per minute [CPM] at 30 min, 8987.03 ± 888.64 CPM at 60 min). The labeled compound allowed visualization of B16F10 xenografts on microPET at 60 min after intravenous injection (tumor uptake: 1.20 ± 0.20% ID/g at 30 min, 0.91 ± 0.24% ID/g at 60 min). These results suggest that 68Ga-labeled 2,2′,2″,2‴-(2-(4-(3-(2-((2-(5-bromopicolinamido)ethyl)(methyl)amino)ethyl)thioureido)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (68Ga-MI-0202E1) has potential as a PET imaging probe for the detection of melanoma.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 5","pages":"540-546"},"PeriodicalIF":1.7,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140646","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

Facilitating CO oxidation reactivity via potassium intercalation on a single-atom gold catalyst supported by graphite 石墨负载的单原子金催化剂上钾嵌入促进CO氧化反应性

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-04-23 DOI: 10.1002/bkcs.70025

Rizky Hadiputra, Minhui Lee, Jaehoon Jung

{"title":"Facilitating CO oxidation reactivity via potassium intercalation on a single-atom gold catalyst supported by graphite","authors":"Rizky Hadiputra, Minhui Lee, Jaehoon Jung","doi":"10.1002/bkcs.70025","DOIUrl":"https://doi.org/10.1002/bkcs.70025","url":null,"abstract":"Heterogeneous single-atom catalysts (SACs) have gained significant attention due to their high catalytic activity and tunable reactivity, which are strongly influenced by the choice of support material. In this study, we employ density functional theory calculations to investigate CO oxidation on Au SACs adsorbed at single-vacancy (SV) sites of various carbon-based materials, including graphene, graphite (Gr), and K-intercalated graphite (K@Gr). Our computational results reveal that K@Gr provides enhanced catalytic stability and activity compared to other carbon-based support materials due to strong electrostatic interactions between intercalated K atoms and the carbon atoms surrounding the Au atom adsorbed at the SV site. The CO oxidation mechanism follows a sequential pathway involving the Langmuir–Hinshelwood and Eley–Rideal mechanisms, in which K@Gr exhibits superior performance in stabilizing key reaction intermediates and thereby provides a more favorable reaction energy profile along the entire reaction pathway. These findings highlight the potential of Gr interaction compounds, such as K@Gr, as promising support materials for SACs, offering both structural stabilization and enhanced catalytic performance through tunable electrostatic interactions.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 5","pages":"547-553"},"PeriodicalIF":1.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140740","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

Lithium diisobutyl-tert-butoxyaluminum hydride promoted ester hydroboration: An efficient protocol under solvent-free conditions at room temperature 二异丁基叔丁氧基氢化铝锂促进酯硼氢化：室温下无溶剂条件下的有效方案

IF 1.7 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2025-04-23 DOI: 10.1002/bkcs.70017

Hwan Hwi Kim, Hyun Ji Han, Ashok Kumar Jaladi, Duk Keun An

引用次数: 0