Bulletin of the Korean Chemical Society最新文献

{"title":"NMR structural studies of antimicrobial peptide, LPcin-YK5, with divalent metal ion and its antimicrobial activity","authors":"Minseon Kim,&nbsp;Jujin Park,&nbsp;Yongae Kim","doi":"10.1002/bkcs.12929","DOIUrl":"https://doi.org/10.1002/bkcs.12929","url":null,"abstract":"<p>Research studies on antimicrobial peptides (AMPs) that can combat antibiotic-resistant bacteria, an issue with antibiotic usage, are garnering attention. Among the AMP types, cationic AMPs can electrostatically interact with the bacterial membrane and destroy it, resulting in bacterial death. In the presence of metal ions, these cationic AMPs possess beneficial antimicrobial activity. In the present study, through structural change analysis and antimicrobial activity tests, we elucidated whether LPcin-YK5, a bovine-derived AMP analog with enhanced antimicrobial activity, interacts with the divalent ions copper(II) and zinc(II) ions. We observed that the interaction between YK5 and divalent ions contributed to the secondary structure stability of YK5, resulting in a synergistic effect on the antimicrobial activity; this is consistent with the interaction between other cationic AMPs and divalent ions. Interestingly, the secondary structural changes and antimicrobial activity against gram-negative bacteria of YK5 were more notable in the presence of zinc(II) than in that of copper(II). Therefore, the effects of YK5 and divalent ions may have implications for designing antibiotics against antibiotic-resistant microorganisms.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 2","pages":"122-130"},"PeriodicalIF":1.7,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446927","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}

{"title":"Synthesis of benzo-12-crown-4 ether immobilized silica for lithium-ion adsorption","authors":"Yun-Gyeong Jeong,&nbsp;Che-Ryong Lim,&nbsp;Yong-Bok Na,&nbsp;Yeoung-Sang Yun,&nbsp;Se-Jung Kim,&nbsp;Youn-Sik Lee","doi":"10.1002/bkcs.12926","DOIUrl":"https://doi.org/10.1002/bkcs.12926","url":null,"abstract":"<p>To develop an adsorbent for Li⁺ recovery from seawater and/or spent lithium batteries, a benzo-12-crown-4 ether (B12C4) moiety was immobilized with silica (immobilization yield: 0.70 meq g⁻¹). Compared to pure silica, the resulting adsorbent (FB12C4-SG) had a reduced Brunauer–Emmett–Teller surface area (500 vs. 180 m² g⁻¹) and pore volume (0.75 vs. 0.26 cm³ g⁻¹). The Li⁺ adsorption reached equilibrium at 31 mg g⁻¹ after 2 h (1000 ppm Li⁺ solution). The adsorption behavior was well explained by pseudo-second-order kinetics and the Langmuir adsorption model (maximum adsorption capacity: 33 mg g⁻¹). The material exhibited a Li⁺/Na⁺ adsorption selectivity factor of 4.2 and high chemical stability under acidic regeneration conditions (1.0 N HCl solution).</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"69-76"},"PeriodicalIF":1.7,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143116270","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}

{"title":"Cover Picture: Photophysical properties of 9,9-dimethyl-9,10-dihydroacridine-functionalized salen–indium complexes: Effects of structural rigidity and number of donor substituents (BKCS 12/2024) Yoseph Kim, Ji Hye Lee, Jaehoon Kim, Yeonsu Kim, Hyeonkwon Moon, Hyonseok Hwang, Junseong Lee, Jun Hui Park, Youngjo Kim, Myung Hwan Park","authors":"","doi":"10.1002/bkcs.12756","DOIUrl":"https://doi.org/10.1002/bkcs.12756","url":null,"abstract":"<p>The cover image depicts a DMAC-functionalized salen–In complex exhibiting intense green emission in the rigid matrix. This feature is attributed to the synergistic effects of enhanced structural rigidity and higher number of DMAC-donors on ICT-based radiative decay. This result will greatly contribute to the future development of highly efficient indium luminescent materials.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"45 12","pages":"937"},"PeriodicalIF":1.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.12756","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142861390","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}

{"title":"Integrative computational pipeline for identifying binding-enhancing mutations targeting the MBD2–p66α interaction: Implications for therapeutic applications","authors":"Sargol Mazraedoost,&nbsp;Hadi Sedigh Malekroodi,&nbsp;Myunggi Yi,&nbsp;J. Jay Liu,&nbsp;Sung In Lim","doi":"10.1002/bkcs.12923","DOIUrl":"https://doi.org/10.1002/bkcs.12923","url":null,"abstract":"<p>This study presents a comprehensive computational pipeline to identify and evaluate potential stabilizing mutations for the coiled-coil protein–protein interaction between methyl-CpG-binding domain protein 2 (MBD2) and transcriptional repressor p66-alpha (p66α). The pipeline begins with the BeAtMuSiC program, which employs statistical potentials derived from known structures to predict candidate stabilizing mutations at the protein–protein interface. Out of 565 potential mutations, 10 single-point mutations (K149I, K163I, A237F, K149L, K149M, K163L, R166M, R166W, K163F, and E155L) with the highest binding affinity were selected for further evaluation using rigorous alchemical free energy calculations. These alchemical simulations conducted using the double-system/single-box method, predicted changes in binding free energy (ΔΔ<i>G</i>) upon mutation while maintaining charge neutrality. The Crooks–Gaussian intersection technique was employed to analyze the results, identifying K149I, K149L, and K163L as potentially enhancing binding affinity the most, while mutations like K163F, A237F, and E155L were predicted to destabilize the interaction significantly. Complementary conventional Molecular Dynamics Simulations provided further support for the alchemical predictions, revealing decreased flexibility, increased contacts, and more compact structures for the predicted stabilizing mutants compared with the wild-type complex. Additionally, Molecular Mechanics Poisson–Boltzmann Surface Area (MM/PBSA) binding free energy calculations were performed, and their results were consistent with the direction of free energy change predicted by the alchemical approach. This multifaceted computational pipeline, combining predictive methods, alchemical simulations, and conventional analyses, offers valuable insights into modulating the binding affinity of the MBD2–p66α coiled-coil interaction. The identified stabilizing mutations can create numerous opportunities across biotechnology, biomedical research, and synthetic biology.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"57-68"},"PeriodicalIF":1.7,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143115708","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}

{"title":"Strategies to increase catalytic efficiency of manganese-catalyzed aerobic oxidation of 5-hydroxymethylfurfural","authors":"Hyejin Yu,&nbsp;Yeonkyeong Ryu,&nbsp;Younghoon Kim,&nbsp;Hyun Sung Kim,&nbsp;Hyun Gil Cha","doi":"10.1002/bkcs.12925","DOIUrl":"https://doi.org/10.1002/bkcs.12925","url":null,"abstract":"<p>The aerobic oxidation of 5-hydroxymethylfurfural (HMF) into 2,5-furandicarboxylic acid (FDCA), a bio-based plastic monomer, is an important process for the valorization of biomass. Here, manganese oxides of various oxidation states with identical morphologies and similar surface areas were synthesized by introducing oxygen vacancy sites, and they were investigated as heterogeneous catalysts for HMF oxidation. Mn₂O₃ exhibited a remarkable catalytic efficiency due to synergistic effect of the oxidation state of metal moieties, the basicity of the catalyst, and oxygen mobility of the oxide materials under basic condition.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"42-47"},"PeriodicalIF":1.7,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114209","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}

{"title":"Nucleic acid-templated chemical reactions for nucleic acid detection","authors":"Ji Young Ryu,&nbsp;Ha Yeong Park,&nbsp;Hayeong Shin,&nbsp;Ki Tae Kim","doi":"10.1002/bkcs.12924","DOIUrl":"https://doi.org/10.1002/bkcs.12924","url":null,"abstract":"<p>Nucleic acid-templated reactions are chemical processes driven by the increased effective concentration of reactants on nucleic acids through the sequence-specific hybridization of nucleic acids. Because these reactions translate the signals of target nucleic acids to detectable specific outputs, such as fluorescence, they can be applied for nucleic acid sensing and imaging. Owing to their advantageous features, such as signal amplification, isothermal nonenzymatic operation, and diverse reaction outputs and designs, the templated reactions have considerable potential for designing next-generation nucleic acid sensors with high sensitivity, selectivity, rapidity, and user-friendliness. Thus, over the past two decades, numerous templated reactions have been developed for more efficient nucleic acid detection. This review highlights recent advances in nucleic acid-templated reactions since 2020, focusing on the newly developed reactions and strategies for designing highly sensitive, selective, and accurate nucleic acid sensing systems. We also summarize templated reaction research since 2015 and explore how integrating these reactions with other signal amplification systems and readout methods has led to the development of practical nucleic acid sensors with improved properties. According to the analysis of each type of templated reactions (ligation, releasing, and transformation), design trends are discussed that inform the outlook for the future development of nucleic acid sensors utilizing templated reactions.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"24-34"},"PeriodicalIF":1.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114024","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}

{"title":"Photoredox catalysis of acridinium and quinolinium ion derivatives","authors":"Shunichi Fukuzumi,&nbsp;Yong-Min Lee,&nbsp;Wonwoo Nam","doi":"10.1002/bkcs.12922","DOIUrl":"https://doi.org/10.1002/bkcs.12922","url":null,"abstract":"<p>Photoredox catalysis has attracted increasing attention because of wide range of synthetic transformations and solar energy conversion applications. Reviews on photoredox catalysis have so far focused predominantly on the synthetic applications. This review highlights how organic photoredox catalysts were developed and how they function as efficient photocatalysts in mechanistic point of views. In particular, 9-mesityl-10-methylactidinium (Acr⁺–Mes) has been highlighted as one of the best organic photoredox catalysts. Acr⁺–Mes was originally developed as a model compound of the photosynthetic reaction center to mimic the long lifetime of the charge-separated state in which the energy is converted to chemical energy in photosynthesis. The reason why Acr⁺–Mes acts as one of the most efficient photoredox catalyst is clarified in terms of the one-electron redox potentials and long lifetimes of the electron-transfer state (Acr^•–Mes^•+) produced upon photoexcitation of Acr⁺–Mes in different solvents. The reason why the mesityl substituent at the 9-position of the Acr⁺ moiety is essential for the efficient photoredox catalysis is discussed in comparison with acridinium ions with different substituents R (Acr⁺–R) including 10-methylacridinium ion with no substituent (AcrH⁺). The mechanisms of photoredox catalysis of Acr⁺–Mes are discussed in various synthetic transformations and solar energy conversion reactions mimicking photosynthesis. Photoredox catalysis of quinolinium ion and its derivatives is also discussed in comparison with that of Acr⁺–Mes. Finally, immobilization of Acr⁺–Mes and quinolinium ions to form the composite catalysts with redox catalyst is discussed to improve the photoredox catalytic activity and stability.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"4-23"},"PeriodicalIF":1.7,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143113818","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}

{"title":"One-pot synthesis of spirooxindoles bearing α-methylene-γ-butyrolactone moiety from Morita–Baylis–Hillman carbonates of isatins and paraformaldehyde","authors":"Junseong Lee,&nbsp;Jae Nyoung Kim","doi":"10.1002/bkcs.12915","DOIUrl":"https://doi.org/10.1002/bkcs.12915","url":null,"abstract":"<p>One-pot synthesis of spirooxindoles bearing α-metylene-γ-butyrolactone moiety has been carried out by the reaction of Morita–Baylis–Hillman (MBH) carbonates of isatins and paraformaldehyde in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in refluxing 1,2-dichloroethane in moderate yields. The reaction proceeded via (i) the formation of resonance-stabilized <i>N</i>-ylide from DBU and the MBH carbonate of isatin, (ii) a selective γ-attack of <i>N</i>-ylide to formaldehyde, (iii) lactonization to liberate methoxide ion, (iv) addition of methoxide ion to the iminium part of DBU, (v) intramolecular hydride transfer via a six-membered transition state, and finally (vi) elimination of DBU.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"45 12","pages":"1015-1020"},"PeriodicalIF":1.7,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142860332","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}

{"title":"Regulation of classical zinc fingers for neuronal signaling in the central nervous system","authors":"Yunha Hwang,&nbsp;Soyeon Park,&nbsp;Hyunyong Kim,&nbsp;Yerim Park,&nbsp;Hyun Goo Kang,&nbsp;Dong-Heon Lee,&nbsp;Seung Jae Lee","doi":"10.1002/bkcs.12920","DOIUrl":"https://doi.org/10.1002/bkcs.12920","url":null,"abstract":"<p>Zinc finger (ZF) proteins are well-known for their regulatory functions in the central dogma, and their structural domains serve as promising scaffolds for the study of neurodegenerative diseases. These proteins often contain multiple ZF domains, enabling interactions with target molecules that regulate transcription and translation. The Cys₂His₂ (C₂H₂) type ZF domains, found in the brain, are associated with long- and short-term memory, neuronal differentiation and development, and other physiological processes. The classical C-X₂-C-X₁₂-H-X₃-H type ZF domains have been detected in studies of Parkinson's disease (PD) and are closely linked to biological pathways involved in a wide range of neurodegenerative diseases. In this review, we introduce three ZF proteins expressed in the brain: Parkin-interacting substrate (PARIS), zinc finger and BTB domain-containing 20 (ZBTB20), and zinc finger protein 18 (ZNF18). We explore the structural and functional roles of these ZF proteins in the brain. Each of these proteins contains more than four ZF domains, as well as functional domains such as KRAB, BTB, and SCAN, which perform modular roles independently of the ZF domains. Biophysical studies of PARIS have demonstrated that its classical three-ZF domain, PARIS(ZF2–4), forms hydrogen bonds with insulin response sequences (IRSs) with high specificity (<i>K</i>_d = 38.9 ± 2.4 nM). Metal coordination studies showed that PARIS binds Co²⁺ with high affinity (<i>K</i>_d = 49.1 ± 7.7 nM), more strongly than other ZF domains, and it also coordinates with other xenobiotic metal ions such as Fe²⁺ and Ni²⁺. Although Zn²⁺–PARIS(ZF2–4) binds specifically to IRSs, Fe²⁺–, Fe³⁺– or Co²⁺–PARIS(ZF2–4) cannot, due to distortions in the ZF domain structure that disrupt hydrogen bonding. These brain-specific ZF domains exhibit common patterns, with similar numbers of ZF domains and sequence homology at the <i>C</i>-terminus, whereas both the ZF domains and <i>N</i>-terminal protein–protein interaction domains contribute to their functional versatility. Elucidating the structure and function of these classical ZF proteins offers promising avenues for the treatment of diverse brain disorders, including Alzheimer's disease, PD, and autism spectrum disorder.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"45 12","pages":"977-986"},"PeriodicalIF":1.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862133","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}

{"title":"Synthesis of MFI zeolites with hierarchical porosity by dry-gel conversion","authors":"Susung Kim,&nbsp;Seunghwan Kim,&nbsp;Hae Sung Cho","doi":"10.1002/bkcs.12919","DOIUrl":"https://doi.org/10.1002/bkcs.12919","url":null,"abstract":"<p>Dry-gel conversion (DGC), which directly converts zeolite gel into crystals by vapor, is considered a promising method for reducing amounts of zeolite precursors and easily controlling crystallization. Synthesis of MFI zeolites employing the DGC method with different amounts of tetrapropylammonium bromide (TPABr) and sodium hydroxide (NaOH) was studied to investigate the effect of TPABr and NaOH on the crystallization of MFI zeolite, with the optimal condition for synthesis found to be 0.05625 for both NaOH/SiO₂ and TPABr/SiO₂. Additionally, carbon black (CB) was added onto the MFI zeolite precursor gel as a hard template to generate mesopores into zeolite frameworks. The resultant MFI zeolite with CB synthesized by the DGC method showed mesoporosity, with pore size distribution similar to the particle size of CB. However, the conventional hydrothermal method could not generate mesopores in MFI zeolite due to the separation of zeolite crystals from CB templates during crystallization.</p>","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"46 1","pages":"35-41"},"PeriodicalIF":1.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119459","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}