ChemistryOpen最新文献_第10页

First-Principles Design of Room Temperature Ferromagnetic Metallic Rare-Earth Zintl Compounds AB₂C₂ (A = Ce, Pr, Nd; B = Li; C = Sb) for Next-Generation Spintronic and Magneto-Electronic Applications. 用于下一代自旋电子和磁电子应用的室温铁磁金属稀土锌化合物AB2C2 （A = Ce, Pr, Nd; B = Li; C = Sb）的第一性原理设计

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70225

Hayat Ullah, Maria Jilani, Ashfaq Ahmad, Asif Mahmood, Sadia Yasin, Uzma Hameed, Akif Safeen, Basit Ali

{"title":"First-Principles Design of Room Temperature Ferromagnetic Metallic Rare-Earth Zintl Compounds AB2C2 (A = Ce, Pr, Nd; B = Li; C = Sb) for Next-Generation Spintronic and Magneto-Electronic Applications.","authors":"Hayat Ullah, Maria Jilani, Ashfaq Ahmad, Asif Mahmood, Sadia Yasin, Uzma Hameed, Akif Safeen, Basit Ali","doi":"10.1002/open.70225","DOIUrl":"10.1002/open.70225","url":null,"abstract":"A comprehensive density functional theory (DFT) study investigates the structural, electronic, and magnetic properties of rare-earth Zintl compounds AB2C2 (A = Ce, Pr, Nd; B = Li; C = Sb). Calculations employing the FPLAPW method (WIEN2k code) utilize PBE-GGA and GGA + U approximations to accurately treat correlated 4f electrons. Structural optimization reveals ferromagnetic (FM) ordering as the most stable ground state for all compounds, with optimized lattice parameters aligning with lanthanide series trends. Electronic structure analysis confirms metallic behavior driven by rare-earth 4f and 5d states near the Fermi level. Density of states analysis shows significant hybridization between Sb-p and RE-d states, indicating covalent interactions within the anionic [Sb] networks consistent with the Zintl concept. Magnetic characterization reveals total moments localized on rare-earth sites, with strong FM exchange interactions stabilizing the ground state. Calculated Curie temperatures (TC) from DFT + U (with Ueff = 0.52-0.58 Ry) and empirical relations exceed room temperature, despite DFT being a 0K method, the predicted TC > 300 K indicates that ferromagnetic order persists under ambient conditions comparable to values reported for spintronic Heusler alloys. Negative formation and cohesive energies confirm thermodynamic stability and experimental viability. In conclusion, these compounds exhibit a promising combination of robust room-temperature ferromagnetism, metallic conductivity, and structural stability, fundamental prerequisites for spintronic materials requiring efficient spin-polarized transport, identifying these Zintl phases as compelling candidates for experimental exploration.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70225"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13276281/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148270577","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

Recent Advances on Application of Modified Biochar for the Removal of Pharmaceutical Compounds from Wastewater. 改性生物炭去除废水中药物类化合物的研究进展。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70221

Ebrahim Tangestani, Ravinder Kumar, Catherine M Miller, Elsa Antunes

{"title":"Recent Advances on Application of Modified Biochar for the Removal of Pharmaceutical Compounds from Wastewater.","authors":"Ebrahim Tangestani, Ravinder Kumar, Catherine M Miller, Elsa Antunes","doi":"10.1002/open.70221","DOIUrl":"10.1002/open.70221","url":null,"abstract":"The widespread use of pharmaceutical compounds (PCs) has led to their extensive contamination in aquatic environments. Biochar, a carbon-rich and porous material, offers a promising solution for the remediation of PCs, particularly when modified. Modification methods can be physical (ball milling, steam activation, and CO2 activation) or chemical (acid/alkali treatment, oxidation, surface functionalization, metal impregnation, and nano structuring). These treatments enhance biochar's structural properties including pore size, pore volume, surface area, and surface functionality, thereby increasing its affinity for PCs and improving removal efficiency. Modified biochar enables multiple adsorption mechanisms, including pore diffusion, electrostatic interactions, hydrophobic effects, hydrogen bonding, and π-π interactions, which act synergistically to remove PCs from water. This review critically discusses various biochar modification techniques, their efficacies, and key parameters influencing their performance. It also highlights adsorption mechanisms, regeneration strategies, and the importance of biochar stability for economic and environmental feasibility. Additionally, life cycle and techno-economic analyses are discussed to evaluate the financial and technical viability of using modified biochar for PCs' remediation. Finally, the review outlines the major challenges associated with modification techniques and provides insights into future research directions to enhance the removal of PCs from aqueous environments.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70221"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13240449/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147986642","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

Evolution of Thiosemicarbazones: From First- to Second-Generation Metal Chelators and Their Reactive Oxygen Species-Mediated Effects in Melanoma. 硫代氨基脲的进化：从第一代到第二代金属螯合剂及其活性氧在黑色素瘤中的作用。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.202500333

Rohina Alim, Scott D Andrew, Christopher J Parkinson

{"title":"Evolution of Thiosemicarbazones: From First- to Second-Generation Metal Chelators and Their Reactive Oxygen Species-Mediated Effects in Melanoma.","authors":"Rohina Alim, Scott D Andrew, Christopher J Parkinson","doi":"10.1002/open.202500333","DOIUrl":"10.1002/open.202500333","url":null,"abstract":"Worldwide, melanoma remains a significant public health concern, with an estimated 325,000 new cases and 57,000 deaths recorded in 2020. If current trends persist, these figures are projected to rise to 510,000 new cases and 96,000 deaths annually by 2040, a 50% and 68% increase, respectively. Despite advances in targeted therapies and immunotherapy, there remains an urgent need for novel, selective treatments-particularly potential low cost oral treatments in low and middle income countries. Thiosemicarbazone (TSC) derivatives, particularly those incorporating ONS (ONS, first generation) and NNS (NNS, second generation) donor motifs, have emerged as promising candidates for melanoma therapy. This review traces the evolution of TSCs from early-stage compounds to more advanced analogs, emphasizing how structural refinements have enhanced their anticancer potency and selectivity. Classical thiosemicarbazones such as Triapine and Dp44mT display multifaceted mechanisms of action, including potent metal ion chelation, inhibition of ribonucleotide reductase (RR), and the induction of oxidative stress through reactive oxygen species (ROS) generation. The redox activity of their metal complexes facilitates ROS accumulation, which contributes to apoptosis in melanoma cells, that often exhibit elevated basal oxidative stress. Preclinical studies demonstrate strong cytotoxicity and some tumor selectivity for these agents, though clinical translation remains limited. The ongoing development of thiosemicarbazone-based therapeutics continues to offer promise for more effective and selective melanoma treatment strategies.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e202500333"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13184555/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147970931","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

Core-Sheath Nanofibers From a Modified Coaxial Electrospinning for Transdermal Delivery of Finasteride. 经皮递送非那雄胺的改良同轴静电纺丝芯-鞘纳米纤维。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.202500564

Liang Sun, Yisa Zhao, Xiyu Caomeng, Deng-Guang Yu, Ping Liu

{"title":"Core-Sheath Nanofibers From a Modified Coaxial Electrospinning for Transdermal Delivery of Finasteride.","authors":"Liang Sun, Yisa Zhao, Xiyu Caomeng, Deng-Guang Yu, Ping Liu","doi":"10.1002/open.202500564","DOIUrl":"10.1002/open.202500564","url":null,"abstract":"Traditional blending electrospinning has a series of issues during implementation, and the corresponding monolithic nanofibers can always be updated through the intentional design of core-sheath nanostructures. In this study, a modified coaxial electrospinning approach was employed to refine the electrospinning process by eliminating abnormal phenomena, while simultaneously imparting core-sheath nanostructures and improved transdermal finasteride (FIN) delivery performance. Using an electrospinnable ethylcellulose (EC) solution containing FIN as the core fluid and an unspinnable polyvinylpyrrolidone (PVP)/sodium dodecyl sulfate (SDS) solution as the sheath fluid, medicated core-sheath nanofibers (E3) were fabricated continuously and robustly. The monolithic nanofibers (E2) from a conventional blending electrospinning were prepared as a comparison. FIN existed in an amorphous state within both E2 and E3 nanofibers, attributed to its excellent compatibility with EC. The sustained release profiles of nanofibers E2 and E3 are similar, but the penetration rates of FIN molecules from the nanofibers E2 and E3 always have significant differences from the initial tests at 0.5 h (10.32 ± 4.31% and 12.85 ± 5.14% for nanofibers E2 and E3, respectively) to the final tests at 4.0 h (38.16 ± 5.47% and 51.31 ± 5.19% for nanofibers E2 and E3, respectively). The mechanism underlying the robust preparation enabled by the unspinnable sheath fluid is proposed: it prevents multiple abnormal phenomena inherent to single-fluid blending processes. This protocol offers a versatile strategy to upgrade traditional single-fluid blending electrospinning products, endowing them with an improved functional performance.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e202500564"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13265395/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148249420","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

Evaluation of Photophysical Properties and Biological Applications of Diarylmethanes. 二芳基甲烷的光物理性质及其生物应用评价。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.202500601

H Ranjini Jenifer, Fateh V Singh, M M Balamurali

{"title":"Evaluation of Photophysical Properties and Biological Applications of Diarylmethanes.","authors":"H Ranjini Jenifer, Fateh V Singh, M M Balamurali","doi":"10.1002/open.202500601","DOIUrl":"10.1002/open.202500601","url":null,"abstract":"Diarylmethane derivatives represent a versatile class of organic molecules with promising therapeutic relevance owing to their structural diversity and favorable drug-like attributes. Although their synthesis has been widely studied, their biomedical potential remains comparatively underexplored. In this work, a panel of biaryl- and teraryl-cored diarylmethanes was examined for their electronic and photophysical characteristics, alongside an assessment of their biological activities through integrated experimental and computational approaches. The compounds displayed significant binding affinity toward biomacromolecules (BSA as 216.12 M-1, while for ct-DNA, it is 5.47 × 105 M-1), including proteins and nucleic acids. To further probe their anticancer potential, molecular docking was performed against the active site of PARP1 (PDB ID: 5HA9), a key enzyme implicated in cancer progression, followed by molecular dynamic simulations to elucidate binding mechanisms. Computational findings indicated a favorable docking pose and robust interaction profile within the PARP1 binding pocket, with minimal perturbation to protein stability and conformation. The anti-inflammatory properties of the synthesized derivatives were evaluated via protein-denaturation inhibition assays. Moreover, AI-driven in silico tools were employed to predict the anticancer activity. Additionally, pharmacokinetic and pharmacodynamic analyses were conducted to assess their drug-likeness.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e202500601"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13240489/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148013683","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

Magnetic Nickel-Containing Heterogeneous Catalysts for the Heck Reaction: Catalyst Design, Performance, and Sustainability. Heck反应的磁性含镍非均相催化剂：催化剂的设计、性能和可持续性。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70244

Forouzan Karimi, Hamideh Sarreshtehdar Aslaheh, Ahmad Poursattar Marjani, Kurosh Rad-Moghadam

{"title":"Magnetic Nickel-Containing Heterogeneous Catalysts for the Heck Reaction: Catalyst Design, Performance, and Sustainability.","authors":"Forouzan Karimi, Hamideh Sarreshtehdar Aslaheh, Ahmad Poursattar Marjani, Kurosh Rad-Moghadam","doi":"10.1002/open.70244","DOIUrl":"10.1002/open.70244","url":null,"abstract":"Heck reaction is one of the key processes for forming carbon-carbon bonds in modern organic synthesis and is typically catalyzed by palladium complexes. In recent years, considerable attention has been devoted to the use of nickel as a cocatalyst/modifier alongside palladium as well as the active component in hybrid systems; in particular, magnetic nickel-based nanocatalysts, owing to their high specific surface area, good tolerance toward various functional groups, and easy recovery using a magnetic field, are considered efficient and recyclable options for palladium-catalyzed Heck reactions. This review summarizes recent advances in the design, synthesis, and application of nickel-based magnetic nanocatalysts, with a focus on systems combined with palladium (including nanocomposites, Ni-Pd bimetallic structures, and supported hybrid nanostructures) in the Heck reaction. In many cases, the highlighted catalysts exhibit high yields and desirable recyclability under mild conditions (including aqueous or solvent-free media). Strategies such as surface functionalization, the use of synergistic supports like graphene oxide, silica, and carbon nanotubes, and the engineering of bimetallic/multimetallic systems (to enhance performance alongside palladium) are also discussed. This review covers studies from 2013 to 2025.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70244"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13276274/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148270525","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

Thermal Conductivity Enhancement of Cu- and Ag-Decorated MWCNT Hybrid Nanofluids Synthesized via Probe Ultrasonication. 探针超声合成Cu和ag修饰MWCNT杂化纳米流体的热导率增强。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70243

S Heshmatian, M Aligholami, M Akbari, S Shafiei, I G Madiba, S Azizi, M Maaza

{"title":"Thermal Conductivity Enhancement of Cu- and Ag-Decorated MWCNT Hybrid Nanofluids Synthesized via Probe Ultrasonication.","authors":"S Heshmatian, M Aligholami, M Akbari, S Shafiei, I G Madiba, S Azizi, M Maaza","doi":"10.1002/open.70243","DOIUrl":"10.1002/open.70243","url":null,"abstract":"Hybrid Ag/MWCNT and Cu/MWCNT nanofluids were synthesized in ethylene glycol using a surfactant-free probe ultrasonication method and evaluated at ultralow solid concentration (0.001-0.01 wt%). TEM analysis indicated decoration of MWCNTs with Ag and Cu nanoparticles, while Raman spectroscopy indicated defect-mediated interactions and structural perturbation of the functionalized MWCNT framework, as suggested by increased ID/IG ratios. UV-Vis spectra showed Ag/MWCNT and Cu/MWCNT plasmonic bands at 380-420 and 300-360 nm, respectively, confirming dispersion in EG. At 0.001 wt%, periodic UV-Vis/zeta-potential tests over 4 weeks indicated acceptable stability, with preserved spectra and negative ζ values ≥30 mV. Thermal conductivity measurements (20°C-70°C) revealed clear enhancement with temperature and metal concentration, reaching ≈5.5% for Ag/MWCNT-EG and ≈8% for Cu/MWCNT-EG at 0.01 wt% and 70°C. The superior performance of Cu/MWCNT-EG is likely associated with stronger interfacial interactions between Cu and carboxylated MWCNTs, enabling more efficient phonon-electron heat transfer pathways. Compared with similar carbon-, metal-, and hybrid-based nanofluids commonly using ≥0.05-0.3 wt%, this work achieves measurable thermal improvement at 0.001-0.01 wt%, highlighting an effective, scalable, surfactant-free platform for designing stable, low-viscosity, high-performance heat transfer fluids for high heat flux heat exchangers, electronic cooling applications.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70243"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13244566/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148197473","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

Modulation of Oxygen Vacancies on Cu/ZnO by Promoter for Higher Alcohol Synthesis From Syngas. 合成气合成高醇助剂对Cu/ZnO上氧空位的调制

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70233

Min Tian, Enjuan Ma, Xing Tian, Wei Huang, Shirong Li

{"title":"Modulation of Oxygen Vacancies on Cu/ZnO by Promoter for Higher Alcohol Synthesis From Syngas.","authors":"Min Tian, Enjuan Ma, Xing Tian, Wei Huang, Shirong Li","doi":"10.1002/open.70233","DOIUrl":"10.1002/open.70233","url":null,"abstract":"The influence of promoters on oxygen vacancies (Ovs) within CuZn catalysts is crucial for optimizing CO hydrogenation to higher alcohols (C2+OH). The CuZn catalysts were successfully prepared with controlled Ovs concentrations via a fully liquid-phase technique through the incorporation of various promoters (Cr, Al, Ga). Additional metal atoms were introduced at ZnO tetrahedral sites of Al3+- and Ga3+-doped CuZn catalysts, facilitating the formation of Ovs within the lattice. Conversely, Cr formed a CuCr2 bimetallic phase mixture in the Cr-doped CuZn, which thwarted the promotional effect of Cr3+ in the precursor and inhibited the generation of ZnO defects. Enhanced Ovs facilitated the transport of electrons from ZnO to Cu, increasing the CuZn interaction and promoting the formation of additional Cu0 and Znδ+ defects. The CO dissociative intermediates (CHx*) were formed at Cu0 sites, while nondissociative intermediates (CO* and CHxO*) were formed at Cu+ or Ovs sites. These intermediates then participated in CC coupling at Znδ+ sites and subsequent hydrogenation to form C2+OH. The Ga-doped CuZn catalyst showed optimal performance, yielding 17.22% CO conversion with 60.22% ethanol and 71.90% C2+OH proportions in the alcohol products.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70233"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13240414/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148013758","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

Recent Advances in Intramolecular C─N Bond Formation for Pyrrolidine Synthesis. 吡咯烷合成分子内C─N键形成研究进展。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70182

Rasma Kroņkalne, Māris Turks

{"title":"Recent Advances in Intramolecular C─N Bond Formation for Pyrrolidine Synthesis.","authors":"Rasma Kroņkalne, Māris Turks","doi":"10.1002/open.70182","DOIUrl":"10.1002/open.70182","url":null,"abstract":"Pyrrolidines constitute a privileged class of nitrogen heterocycles that are ubiquitous in pharmaceuticals, bioactive molecules, and functional materials, thereby continuing to stimulate the development of efficient and versatile synthetic strategies. Among these, intramolecular C─N bond formation represents one of the most fundamental and broadly applicable approaches for the construction of pyrrolidine frameworks. Despite its central importance, a systematic overview focusing specifically on this ring-closing paradigm has been lacking. This review summarizes key advances reported between 2013 and 2025 in the synthesis of pyrrolidines via intramolecular C─N bond formation, focusing specifically on examples featuring a polar ring-closure step N: → C(+/δ+). The discussion is organized according to the ring-formation mechanism, encompassing transition-metal-catalyzed and metal-free cyclization of alkenyl and alkynyl amines, tandem annulation processes, intramolecular nucleophilic additions to carbonyl compounds, nucleophilic substitution reactions, and regioselective C(sp3)-H activation of aliphatic amines, including Hofmann-Löffler-Freytag-type transformations. By highlighting mechanistic features, substrate scope, and synthetic utility, this review aims to provide a comprehensive and practical reference for the design of new pyrrolidine syntheses based on intramolecular C─N bond formation.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70182"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13184554/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147970962","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

Synthesis, Photophysical Characterization, and Anticancer Evaluation of Novel Furochromene Derivatives. 新型呋喃铬衍生物的合成、光物理表征及抗癌评价。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-06-01 DOI: 10.1002/open.70213

Amal Rabahi, Mustapha Mounir Bouhenna, Hasnia Abdeldjebar, Massinissa Baymout, Malika Makhloufi-Chebli, Walter Luyten, Hamdi Bendif, Anis Ahmad Chaudhary, Walid Elfalleh, Stefania Garzoli

{"title":"Synthesis, Photophysical Characterization, and Anticancer Evaluation of Novel Furochromene Derivatives.","authors":"Amal Rabahi, Mustapha Mounir Bouhenna, Hasnia Abdeldjebar, Massinissa Baymout, Malika Makhloufi-Chebli, Walter Luyten, Hamdi Bendif, Anis Ahmad Chaudhary, Walid Elfalleh, Stefania Garzoli","doi":"10.1002/open.70213","DOIUrl":"10.1002/open.70213","url":null,"abstract":"A series of novel furochromen derivatives, namely (2E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-arylprop-2-en-1-ones 4a-c, were synthesized via the Knoevenagel condensation of 6-hydroxy-4,7-dimethoxybenzofuran-5-ylethanone 2 with various aromatic aldehydes. Molecular structures were fully established using ultraviolet-visible spectroscopy (UV-vis), fourier transform infrared (FTIR), Mass Spectrometry, and nuclear magnetic resonance (NMR) techniques. The photophysical characteristics of the compounds were systematically studied in various solvents at 298 K., revealing significant solvatochromic behavior and fluorescence emission, suggesting their potential as fluorescent probes for biological imaging. In addition, quantum chemical calculations discrete fourier transform (DFT)/B3LYP) were performed to determine highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energies and dipole moments in both ground and excited states. To assess their biological relevance, the synthesized compounds were tested for their antiproliferative activity against human cancer cell lines A549 (lung), HepG2 (liver), and HCT-116 (colon), using real-time cell impedance spectroscopy. Among the tested molecules, compound 4c showed the most potent cytotoxic effect, with complete inhibition of cell viability in A549 and HepG2 cells and an IC50 of 4.6 µM against A549. These findings highlight the dual potential of furochromene derivatives as both photophysical tools and promising anticancer candidates.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":"e70213"},"PeriodicalIF":3.0,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13239818/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147986644","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