Bulletin of the Korean Chemical Society最新文献_第5页

Cover Picture: Antioxidant and Antimicrobial Activity of Terminalia bialata leaves (BKCS 7/2026) by Wonhee Kim, Hwicheol Shin, and Dong-Ku Kang 封面图片：Terminalia bialata叶片的抗氧化和抗菌活性（BKCS 7/2026），作者：Wonhee Kim， Hwicheol Shin, Dong-Ku Kang

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 DOI: 10.1002/bkcs.70151

引用次数: 0

Design, synthesis, and biological evaluation of ring-expanded thioacetal derivatives as potent and selective butyrylcholinesterase inhibitors 设计、合成和生物评价环扩展硫缩醛衍生物作为有效的和选择性的丁基胆碱酯酶抑制剂

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-05-21 DOI: 10.1002/bkcs.70179

Haneul Lee, Ji Hyun Hwang, Jun Woo Cheon, Dahee Kim, Jeong Ho Park

{"title":"Design, synthesis, and biological evaluation of ring-expanded thioacetal derivatives as potent and selective butyrylcholinesterase inhibitors","authors":"Haneul Lee, Ji Hyun Hwang, Jun Woo Cheon, Dahee Kim, Jeong Ho Park","doi":"10.1002/bkcs.70179","DOIUrl":"https://doi.org/10.1002/bkcs.70179","url":null,"abstract":"A novel series of thioacetal–amide derivatives (18–33) were developed as potent, selective butyrylcholinesterase (BuChE) inhibitors through a strategic ring-expansion of the lipoic acid scaffold. Transitioning from a five-membered 1,2-dithiolane to a six-membered 1,3-dithiane moiety induced a striking reversal in selectivity, achieving up to a 671-fold improvement over the lead compound A. Among the analogs, the meta-trifluoromethyl derivative 29 exhibited the highest BuChE potency (IC50 = 0.031 μM; 300-fold superior to galantamine), while the ortho-methoxy derivative 22 demonstrated exceptional selectivity (IC50 = 28.99 μM for AChE, IC50 = 0.080 μM for BuChE; SI = 362). Molecular docking simulations attributed this selectivity to the volumetric complementarity of the expansive BuChE active site, which accommodates the bulky thioacetal pharmacophore through robust π–π interactions, whereas the constricted AChE gorge induces severe steric clashes. These findings further support the thioacetal–amide scaffold as a promising lead for advanced-stage Alzheimer's disease, with favorable in vitro cytocompatibility at concentrations well above the enzyme-active range.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 7","pages":"834-844"},"PeriodicalIF":2.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148534399","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

Steric modulation of nitric oxide photodissociation kinetics in iron–nitrosyl complexes 铁-亚硝基配合物中一氧化氮光解动力学的立体调节

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-06-23 DOI: 10.1002/bkcs.70187

Jisu Choe, Jaeheung Cho

{"title":"Steric modulation of nitric oxide photodissociation kinetics in iron–nitrosyl complexes","authors":"Jisu Choe, Jaeheung Cho","doi":"10.1002/bkcs.70187","DOIUrl":"https://doi.org/10.1002/bkcs.70187","url":null,"abstract":"Nitric oxide (NO) photorelease from transition metal–nitrosyl complexes enables spatiotemporal control of NO delivery for biological and therapeutic applications. Here, we investigated how steric modification of a pyridinophane ligand influences NO photorelease behavior in nonheme iron–nitrosyl complexes. Replacement of tert-butyl substituents with cyclohexyl groups preserved the tetradentate coordination architecture while altering the steric environment around the iron center. Photochemical studies revealed that [Fe(CHDAP)(NO)(H2O)]2+ underwent slower NO photorelease than [Fe(TBDAP)(NO)(H2O)]2+ under identical irradiation conditions. Structural comparisons based on density functional theory indicated subtle differences between the two complexes, suggesting that modest ligand-derived perturbations can influence Fe–NO bonding and photodissociation behavior. Electrochemical analysis also showed ligand-dependent changes in redox properties. Taken together, these results show that steric modification within a conserved macrocyclic scaffold can produce a change in NO photoreactivity without altering the ligand framework.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 7","pages":"772-776"},"PeriodicalIF":2.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70187","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148534427","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

A sequential Ugi-click reactions approach for generation of novel hybrid amides/triazole-sulfonamide as VEGFR-2 inhibitors targeting NSCLC and triple-negative breast cancer 一种序列Ugi-click反应方法用于产生新型杂化酰胺/三唑-磺胺作为VEGFR-2抑制剂靶向NSCLC和三阴性乳腺癌

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-06-05 DOI: 10.1002/bkcs.70178

Mohammed Salah Ayoup, Marwa Mohammed Rashwan, Amr Negm, Asmaa E. Kassab, Mohamed S. Nafie, Gina N. Tageldin, Marwa F. Harras, Magda M. F. Ismail, Amal F. Dawood, Laila F. Awad

{"title":"A sequential Ugi-click reactions approach for generation of novel hybrid amides/triazole-sulfonamide as VEGFR-2 inhibitors targeting NSCLC and triple-negative breast cancer","authors":"Mohammed Salah Ayoup, Marwa Mohammed Rashwan, Amr Negm, Asmaa E. Kassab, Mohamed S. Nafie, Gina N. Tageldin, Marwa F. Harras, Magda M. F. Ismail, Amal F. Dawood, Laila F. Awad","doi":"10.1002/bkcs.70178","DOIUrl":"https://doi.org/10.1002/bkcs.70178","url":null,"abstract":"This study rationally designed and synthesized a library of flexible Ugi-Alkyne bis-amides and a sequential Ugi-Click reactions approach for the generation of novel hybrids amides/triazole-sulfonamide as possible VEGFR-2 inhibitors and apoptosis-inducing candidates. Several promising hits were identified in the cytotoxicity evaluation against A549, MDA-MB-231, and normal lung epithelial BEAS-2 B cells. Compound 7 exhibited the highest selectivity index (SI = 6.7 for MDA-MB-231; SI = 8.6 for A549) and superior potency to Sorafenib. Interestingly, compound 10 showed the most potent VEGFR-2 inhibition with an IC50 value of 0.084 μM, comparable to Sorafenib (IC50 = 0.075 μM). In both cancer cell lines, compounds 6, 7, 10, 12, and 23 markedly increased the tumor-suppressive microRNAs miR-200c and miR-132 while downregulating the carcinogenic markers c-Myc, CD44, CD133, VEGF, and TGF. Compounds 7, 12, and 23 showed the strongest impacts. Additionally, compounds 12 and 23 significantly raised the activity of caspase-3 and caspase-9, indicating the activation of apoptosis. Their substantial inhibitory potential was confirmed by VEGFR-2 kinase assay and molecular docking, which further clarified important binding interactions, especially with hinge residue Cys919 and gatekeeper residues Glu885 and Asp1046. Overall, these results showed that the Ugi-derived diamides, particularly compound 7, are prospective anticancer leads that influence apoptosis, metastasis-related indicators, and angiogenesis via miRNA-associated pathways.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 7","pages":"814-833"},"PeriodicalIF":2.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148532536","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

Antioxidant and antimicrobial activity of Terminalia bialata leaves 黄连叶的抗氧化和抗菌活性研究

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-05-21 DOI: 10.1002/bkcs.70181

Yeseul Park, Soyun Choi, Taeyoung Park, Kry Maspal, Wonhee Kim, Jae-Shin Kang, Hwicheol Shin, Dong-Ku Kang

引用次数: 0

From brush conformation to 3D Supraparticles: Programmable self-assembly of polymer-grafted nanoparticles in emulsion confinement 从电刷构象到三维超粒子：乳液约束下聚合物接枝纳米颗粒的可编程自组装

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-06-08 DOI: 10.1002/bkcs.70186

Hongseok Yun

{"title":"From brush conformation to 3D Supraparticles: Programmable self-assembly of polymer-grafted nanoparticles in emulsion confinement","authors":"Hongseok Yun","doi":"10.1002/bkcs.70186","DOIUrl":"https://doi.org/10.1002/bkcs.70186","url":null,"abstract":"This review highlights recent advances in the self-assembly of polymer-grafted nanoparticles (PGNPs) within the three-dimensional (3D) confinement of emulsion droplets to construct supraparticles with programmable superstructures. PGNPs serve as versatile building blocks, where the interparticle interactions can be precisely tailored by engineering the macromolecular parameters of the grafted chains, such as chemical composition, grafting density, and molecular weight. In emulsion systems, the interplay between interfacial energy, entropic forces, and isotropic shrinkage during solvent evaporation drives the formation of highly ordered architectures, including Mackay icosahedral supracrystals and symmetry-broken polyhedral clusters that are often inaccessible in bulk phases. We provide an in-depth analysis of the assembly mechanisms, focusing on the role of polymer brush conformation and the physical constraints imposed by the emulsion environment. Furthermore, the potential applications of these 3D supraparticles in next-generation plasmonic sensing, spatially compartmentalized catalysis, and shape anisotropy-directed assembly are discussed, offering a perspective on future research directions in the field of programmable colloidal matter.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 7","pages":"787-800"},"PeriodicalIF":2.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70186","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148532810","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

Exploration of structure–activity relationship of 2,4-diaminopyrimidine derivatives as hematopoietic progenitor kinase 1 inhibitors 2,4-二氨基嘧啶衍生物作为造血祖激酶1抑制剂的构效关系探讨

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-07-17 Epub Date: 2026-06-11 DOI: 10.1002/bkcs.70188

Heechan Shin, Mi-Ran Byun, Joon Seok Choi, Sujin Lee

引用次数: 0

Vitamins as potent cancer treatments through regulating the activity and expression of MMP-2 and MMP-9 维生素通过调节MMP-2和MMP-9的活性和表达作为有效的癌症治疗

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-06-08 Epub Date: 2026-05-07 DOI: 10.1002/bkcs.70173

Yen Thi Nguyen, Eungchan Kim, Ha Vy Thi Vo, Song Ja Kim, Namdoo Kim, Hyuck Jin Lee

{"title":"Vitamins as potent cancer treatments through regulating the activity and expression of MMP-2 and MMP-9","authors":"Yen Thi Nguyen, Eungchan Kim, Ha Vy Thi Vo, Song Ja Kim, Namdoo Kim, Hyuck Jin Lee","doi":"10.1002/bkcs.70173","DOIUrl":"https://doi.org/10.1002/bkcs.70173","url":null,"abstract":"Matrix metalloproteinases (MMP-2 and MMP-9) are key regulators of cancer progression, contributing to tumor invasion, angiogenesis, and metastasis. Despite the development of synthetic inhibitors, their clinical application remains limited due to toxicity and safety concerns. In this study, we investigated the potential of common vitamins, vitamin A (VA), vitamin B6 (VB), vitamin C (VC), and vitamin D3 (VD), as regulators of MMP-2/9 expression and activity in lung (A549) and cervical (HeLa) cancer cells. Immunofluorescence and Western blot analyses revealed that all examined vitamins could reduce MMP-2 and MMP-9 expression, with VA, VD, and VB exhibiting pronounced inhibitory effects in both cell lines. VC showed comparatively modest effects, particularly on MMP-2 expression. Mechanistically, these reductions were associated with the suppression of MAPK signaling pathways, including decreased phosphorylation of JNK and ERK. Enzymatic activity assays demonstrated that VA and VD selectively inhibited MMP-2 activity in a dose-dependent manner, whereas no significant inhibition of MMP-9 activity was observed. Docking simulations suggested that VA could interact with the S1′ pocket of MMP-2, while VD could bind near the catalytic domain, supporting their inhibitory potential. Collectively, these findings indicate that vitamins, particularly VA, VD, and VB, could regulate both MMP-2 and MMP-9 expression and activity through transcriptional and MAPK signaling pathway modulation. This study highlights the potential of vitamins as low-toxicity therapeutic or adjunct agents for targeting MMP-mediated cancer progression.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 6","pages":"745-755"},"PeriodicalIF":2.2,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bkcs.70173","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202958","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

Anionic CO2 activation across nitrogen-doped organic and metal frameworks: An electronic topology perspective 阴离子CO2活化跨氮掺杂有机和金属框架：电子拓扑的观点

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-06-08 Epub Date: 2026-04-24 DOI: 10.1002/bkcs.70169

Minhyeok Noh, Haejoo Kim, Aloke Bapli, Sang Hak Lee

{"title":"Anionic CO2 activation across nitrogen-doped organic and metal frameworks: An electronic topology perspective","authors":"Minhyeok Noh, Haejoo Kim, Aloke Bapli, Sang Hak Lee","doi":"10.1002/bkcs.70169","DOIUrl":"https://doi.org/10.1002/bkcs.70169","url":null,"abstract":"The activation of CO2 represents one of the most enduring challenges in catalysis, energy conversion, and carbon utilization. Recent studies reveal that excess electron density, whether localized on metallic clusters, delocalized within π-conjugated organic frameworks, or transiently formed as radical anions, plays the decisive role in breaking the thermodynamic inertness of CO2. This review integrates experimental and theoretical advances, tracing the evolution of anionic activation of CO2 from Pt hydride cluster anions to nitrogen-doped polyaromatic catalysts. By connecting in vacuo spectroscopy, density functional theory (DFT), and ab initio molecular dynamics (AIMD), we delineate a unified electronic framework linking associative and dissociative activation, static and dynamic electron donation, and metal versus metal-free paradigms. The role of the CO2 radical anion in photocatalysis is discussed alongside the emerging design principles for next-generation catalysts that exploit charge accumulation rather than expensive metallic centers.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 6","pages":"689-697"},"PeriodicalIF":2.2,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202966","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

Mitigation of ionization-induced quantitative bias in LC–MS/MS analysis of N-nitrosamine drug-substance-related impurities in Rasagiline pharmaceutical products 缓解雷沙吉兰药品中n-亚硝胺类药物相关杂质LC-MS /MS分析中电离诱导的定量偏倚

IF 2.2 4区化学

Bulletin of the Korean Chemical Society Pub Date : 2026-06-08 Epub Date: 2026-05-09 DOI: 10.1002/bkcs.70171

Chan Hong Min, Han Bin Oh

{"title":"Mitigation of ionization-induced quantitative bias in LC–MS/MS analysis of N-nitrosamine drug-substance-related impurities in Rasagiline pharmaceutical products","authors":"Chan Hong Min, Han Bin Oh","doi":"10.1002/bkcs.70171","DOIUrl":"https://doi.org/10.1002/bkcs.70171","url":null,"abstract":"Accurate quantification of N-nitrosamine drug-substance–related impurities (NDSRIs) in pharmaceutical products requires careful control of ionization-induced artifacts during LC–MS/MS analysis. In pharmaceutical matrices where the active pharmaceutical ingredient (API) is present at concentrations several orders of magnitude higher than the target impurity, in-source fragmentation can generate overlapping product ions, leading to significant quantitative bias. In this study, we demonstrate that certain atmospheric-pressure ionization conditions induce in-source decomposition of both rasagiline and its corresponding nitroso impurity, producing a common fragment ion at m/z 117. This overlap can compromise analytical specificity and potentially result in overestimation of impurity levels. To mitigate this ionization-induced quantitative bias, Heated Electrospray Ionization (H-ESI) parameters were systematically optimized to preserve the intact protonated molecular ion (m/z 201) while minimizing thermally induced fragmentation. In addition, a gradient LC method incorporating a high-organic wash step and flow diversion strategy was established to enhance analytical robustness under routine quality control conditions. The optimized LC–MS/MS method demonstrated excellent linearity (R2 > 0.998), acceptable precision (RSD ≤ 11.5%), and sufficient sensitivity (LOQ 30 ng/mL) to meet current regulatory requirements. These findings highlight the critical importance of ion-source selection in nitrosamine impurity analysis and provide a practical strategy to reduce the risk of ionization-induced quantitative bias in pharmaceutical LC–MS/MS applications.","PeriodicalId":54252,"journal":{"name":"Bulletin of the Korean Chemical Society","volume":"47 6","pages":"724-735"},"PeriodicalIF":2.2,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148203032","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