ChemistryOpen最新文献_第2页

Organ-Specific Phytochemical Composition and Bioactivity Profiling of Chaerophyllum aksekiense: A Multiassay Antioxidant, Enzyme Inhibition, and Correlation-Based Evaluation. 叶藻器官特异性植物化学成分和生物活性分析：多测定抗氧化、酶抑制和相关评价。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70220

Bedrettin Selvi, Elif Aktürk Bozdemir

{"title":"Organ-Specific Phytochemical Composition and Bioactivity Profiling of Chaerophyllum aksekiense: A Multiassay Antioxidant, Enzyme Inhibition, and Correlation-Based Evaluation.","authors":"Bedrettin Selvi, Elif Aktürk Bozdemir","doi":"10.1002/open.70220","DOIUrl":"10.1002/open.70220","url":null,"abstract":"Understanding organ-specific phytochemical variation is essential for elucidating how chemical diversity shapes biological activity in narrowly distributed Apiaceae. This study provides the first comprehensive evaluation of the nonvolatile phytochemical composition, antioxidant potential, and enzyme inhibitory properties of ethanol extracts obtained from the leaves, flowers, stems, and roots of Chaerophyllum aksekiense. Total phenolic and flavonoid levels differed markedly among organs, with leaves exhibiting the highest phenolic content and flowers the greatest flavonoid accumulation. LC-ESI-MS/MS analysis revealed distinct distribution patterns of key compounds, including hyperoside, gallic acid, caffeic acid, and hydroxybenzoic acids. Antioxidant activity differed across assays, with leaf extracts demonstrating the strongest electron-transfer and radical-scavenging capacities in phosphomolybdenum, CUPRAC, FRAP, DPPH, and ABTS assays, reflected by the highest relative antioxidant capacity index (RACI) score. Stem extracts were the most effective metal chelators. Enzyme inhibition activities were similarly differentiated; leaves and roots exhibited the strongest cholinesterase inhibition, roots were most active against α-amylase, and leaves against α-glucosidase. Correlation analysis highlighted gallic and caffeic acids as major contributors to both antioxidant and enzyme-modulatory outcomes. Collectively, these findings emphasize that C. aksekiense displays pronounced organ-specific phytochemical organization that drives its diverse bioactivities, and they identify key organs and compounds with potential value for future mechanistic and application-oriented studies.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70220"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13125860/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763879","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

Synergistic Photophysical and Mechanical Enhancement in Europium Supramolecular Hydrogel by Incorporating Gd(DPA)₃ Complex (DPA = Dipicolinate). Gd(DPA)3配合物（DPA =二吡啶甲酸酯）对铕超分子水凝胶的光物理和机械增效作用。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70202

Caroliny O Cavalcante, Suelen C F Pereira, Sanderson H S Malta, José Y R Silva, Wilson B, Leonis Lourenço da Luz, Juliana A B da Silva, Severino Alves Júnior

{"title":"Synergistic Photophysical and Mechanical Enhancement in Europium Supramolecular Hydrogel by Incorporating Gd(DPA)3 Complex (DPA = Dipicolinate).","authors":"Caroliny O Cavalcante, Suelen C F Pereira, Sanderson H S Malta, José Y R Silva, Wilson B, Leonis Lourenço da Luz, Juliana A B da Silva, Severino Alves Júnior","doi":"10.1002/open.70202","DOIUrl":"https://doi.org/10.1002/open.70202","url":null,"abstract":"Lanthanide hydrogels HGLn with iminodiacetic acid (Ln = Eu and Gd) and Na3[Ln(DPA)3]·9H2O complexes (DPA = dipicolininate) were successfully synthesized via hydrothermal microwave-assisted and via precipitation, respectively. Incorporation of Ln(DPA)3 complexes into the HGLn hydrogels resulted in the improvement of the spectroscopic properties and mechanical behavior. Rheological studies of the europium hydrogels doped with Gd(DPA)3 complex (HGEu-Gd) showed a significant increase in the stiffness of the material by increasing the concentration of the incorporated complex. This effect also influences the increase in luminescence intensity of the HGEu-Gd hybrid. A computational modeling study of the interaction between the complex and hydrogel matrix suggests that this interaction does not affect the coordination symmetry of either Eu3+ or Gd3+. On the other hand, there were changes in the corresponding emission lifetimes, although not accompanied by changes in the emission spectral profile. The individual contributions to the luminescence of the hybrid gel were related to the maintenance of individual material characteristics and those resulting from hydrogel-complex interactions.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70202"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13106984/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763927","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

Sustainable Ethanol-Based Reversed-Phase Liquid Chromatography for Determination of Diltiazem pKa and Quantification with Integrated Green and White Analytical Metrics. 可持续乙醇基反相液相色谱法测定地尔硫卓pKa及绿白一体化定量分析。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70215

Zehra Üstün, İlkay Konçe, Ebru Çubuk Demiralay

{"title":"Sustainable Ethanol-Based Reversed-Phase Liquid Chromatography for Determination of Diltiazem pKa and Quantification with Integrated Green and White Analytical Metrics.","authors":"Zehra Üstün, İlkay Konçe, Ebru Çubuk Demiralay","doi":"10.1002/open.70215","DOIUrl":"10.1002/open.70215","url":null,"abstract":"This study presents a sustainable chromatographic method for the analysis of diltiazem. Retention behavior and the effect of mobile phase pH were investigated to determine the dissociation constant. Chromatographic experiments were performed at 37°C on a Gemini NX C18 column in binary mixtures of ethanol-water containing 40%, 45%, and 50% (v/v) ethanol and methanol-water containing 45%, 50%, and 55% (v/v) methanol. Using these retention data, the <math> <semantics> <mrow><msubsup><mrow></mrow> <mi>w</mi> <mi>w</mi></msubsup> <mi>p</mi> <msub><mi>K</mi> <mi>a</mi></msub> </mrow> <annotation>${}_w^wpK_a$</annotation></semantics> </math> value of diltiazem, which has low solubility in water, was calculated. Beyond analytical performance, the sustainability of method was evaluated multimetrically approach using the Environmental, Performance, and Practicality Index, the Carbon Footprint Reduction Index, and the Sustainability of Analytical Methods Index. This complementary framework provides a holistic assessment of operational greenness, carbon intensity, and global sustainability goals in accordance with the latest guidelines. The method for diltiazem determination according to these tools showed linearity with a correlation coefficient of 0.999 in the concentration range of 1.0-15 µg/mL and achieved acceptable precision and accuracy. Validated according to ICH Q2(R2) guidelines, the procedure was successfully applied to tablet formulations and forced degradation studies. This work establishes a comprehensive, ecofriendly methodological approach suitable for pharmaceutical analysis.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70215"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13096578/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147728574","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

Fusion Molecules Between the STAT5b Inhibitor Stafib-2-CR and a Cereblon Ligand. STAT5b抑制剂Stafib-2-CR与小脑配体的融合分子

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.202600007

Theresa Münzel, Karl Christian Seidenstücker, Christoph Protzel, Angela Berg, Thorsten Berg

引用次数: 0

A Stepwise Approach to 1,4,10,13-Tetraaza-18-Crown-6 Ether. 1,4,10,13-四氮杂-18-冠-6醚的逐步研究

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70201

Pieter Troosters, Lara Bruneel, Wim Dehaen, Tomas Opsomer

引用次数: 0

Ionic Hydrogel Triboelectric Sensor for Real-Time Swimming Kinematics Monitoring and Stroke Recognition. 用于实时游泳运动监测和行程识别的离子水凝胶摩擦电传感器。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70208

Xiao Liang, Zhao Liu

{"title":"Ionic Hydrogel Triboelectric Sensor for Real-Time Swimming Kinematics Monitoring and Stroke Recognition.","authors":"Xiao Liang, Zhao Liu","doi":"10.1002/open.70208","DOIUrl":"10.1002/open.70208","url":null,"abstract":"Recently, wearable sports electronics have attracted increasing attention for their potential to enable continuous motion tracking and energy-autonomous operation in complex athletic environments. In this work, we present a flexible triboelectric nanogenerator (PAC-TENG) constructed from a PVA/Ala/CaCl2 ionic hydrogel electrode and a compliant silicone triboelectric layer. The PAC hydrogel provides high stretchability, stable ionic conductivity, and strong deformation tolerance, while the silicone surface ensures efficient and repeatable charge generation. Benefiting from this synergistic design, the PAC-TENG achieves excellent electrical outputs, including a peak voltage of 472.9 V, a short-circuit current of 37.1 µA, and a transferred charge of 104.1 nC, along with high power density under matched load. The device exhibits strong sensitivity to bending angle, applied force, and motion frequency, enabling accurate perception of human biomechanics. When mounted on swimming-related joints, the PAC-TENG can reliably monitor stroke patterns and detect abnormal motion signals, highlighting its promise for self-powered aquatic sports analytics and intelligent safety monitoring.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70208"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13096586/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147728589","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

Dual-Functional and Low-Toxicity ZnO Nanoparticles From Pomegranate Peel: Impact of Synthesis Parameters on Photocatalytic and Supercapacitive Performance. 石榴皮制备的双功能低毒ZnO纳米粒子：合成参数对光催化和超级电容性能的影响

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70209

Roumaissa Djafarou, Ouarda Brahmia, Naima Benchikha, Fatma Kılıç Dokan, Ertugrul Sahmetlioglu, Ayomide Victor Atoki, Mohammed Messaoudi

{"title":"Dual-Functional and Low-Toxicity ZnO Nanoparticles From Pomegranate Peel: Impact of Synthesis Parameters on Photocatalytic and Supercapacitive Performance.","authors":"Roumaissa Djafarou, Ouarda Brahmia, Naima Benchikha, Fatma Kılıç Dokan, Ertugrul Sahmetlioglu, Ayomide Victor Atoki, Mohammed Messaoudi","doi":"10.1002/open.70209","DOIUrl":"https://doi.org/10.1002/open.70209","url":null,"abstract":"The development of eco-efficient multifunctional nanomaterials is crucial for environmental remediation and energy storage. This study systematically investigated the impact of synthesis temperature (25°C vs. 80°C) and zinc acetate concentration (0.5-2 M) on pomegranate peel extract-mediated ZnO nanoparticles. Physicochemical characterization revealed that ambient synthesis (25°C) at 2 M (sample A2) produced an interconnected hierarchical architecture with a specific surface area (SSABET) of 12.1 m2/g, a zeta potential of -28.6 mV, and a narrow bandgap of 2.744 eV. Consequently, A2 exhibited superior bifunctional performance, achieving a photocatalytic rate constant (kapp) of 0.065 min-1 for the degradation of Methylene Blue (10 ppm) and a specific capacitance of 208 F g-1 at 1 A g-1. Crucially, electrochemical impedance spectroscopy confirmed that the interconnected framework of A2 provided a negligible charge-transfer resistance (Rp = 0.0043 Ω), facilitating efficient charge transport compared to the resistive, fragmented morphologies produced at 80°C (Rp = 3069.64 Ω). Furthermore, A2 demonstrated low acute ecotoxicity toward Artemia salina (LC50 = 4842 μg/mL). These findings provide a data-driven framework for the low-energy synthesis of high-performance, sustainable ZnO nanomaterials.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70209"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13098670/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763777","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

Mercury (II) Removal From Stock Solutions Using Pulsed Electrochemical Technique Coupled With Biochar Adsorbent. 脉冲电化学技术耦合生物炭吸附剂去除原液中的汞（II）

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.202500395

Werkne Sorsa Muleta, Lelisa Regea Mengistu, Madhappan Santhamoorthy, Perumal Asaithambi

{"title":"Mercury (II) Removal From Stock Solutions Using Pulsed Electrochemical Technique Coupled With Biochar Adsorbent.","authors":"Werkne Sorsa Muleta, Lelisa Regea Mengistu, Madhappan Santhamoorthy, Perumal Asaithambi","doi":"10.1002/open.202500395","DOIUrl":"10.1002/open.202500395","url":null,"abstract":"Mercury (Hg) in water bodies is a major environmental concern due to its high toxicity and bioaccumulation in the food chain. Conventional treatment methods have limited effectiveness in removing mercury. This study explores a combined approach involving pulsed electrooxidation (PEO) and biochar adsorption for enhanced Hg removal from synthetic water. Biochar, produced from agricultural waste, was optimized for efficient oxidation. Batch adsorption experiments evaluated the performance of the biochar adsorbent, analyzing factors such as dosage, contact time, and initial Hg concentration. The integration of PEO and biochar adsorption resulted in a synergistic enhancement of Hg removal from synthetic water. For maximum Hg removal effectiveness, the PEO approach was applied, using electrode spacings of 0.5 and 1 cm. The process's conductivity was increased by adding sodium chloride. The results indicated optimal removal efficiencies of 97.37% and 96.24% with PEO alone and 98.92% and 97.899% when PEO was combined with magnetic biochar for 0.5 cm and 1 cm electrode spacing, respectively. At pH of 6.03, 34.15 of minutes of reaction time, 1.55 g/L of magnetic biochar, 0.43 amps of current, 0.45 Kwh/m3, electric energy consumed, and 227 mg/L of mercury concentration, these results were collected. According to the results, mercury (II) be effectively removed from aqueous solutions by using a combination of PEO and biochar adsorption.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e202500395"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13150347/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147834248","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

Chemical Constituents and Biological Potentials of Teucrium scordium subsp. scordioides Extracts: In Vitro Experimental and In Silico Perspectives. Teucrium scordium亚种的化学成分及生物电位。蝎科植物提取物：体外实验和计算机研究。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70216

Bengusu Hacer Akgul, Sakina Yagi, Mehmet Veysi Cetiz, Enver Saka, Gokhan Zengin, Eulogio J Llorent-Martínez, Marina Gómez-Torres, Ismail Yapıcı, Ilhami Gulcin, Evren Yıldıztugay

{"title":"Chemical Constituents and Biological Potentials of Teucrium scordium subsp. scordioides Extracts: In Vitro Experimental and In Silico Perspectives.","authors":"Bengusu Hacer Akgul, Sakina Yagi, Mehmet Veysi Cetiz, Enver Saka, Gokhan Zengin, Eulogio J Llorent-Martínez, Marina Gómez-Torres, Ismail Yapıcı, Ilhami Gulcin, Evren Yıldıztugay","doi":"10.1002/open.70216","DOIUrl":"10.1002/open.70216","url":null,"abstract":"This study was undertaken to examine, for the first time, the antioxidant and enzyme inhibitory properties of several extracts obtained from the aerial parts of Teucrium scordium subsp. scordioides (Schreb.) Arcang (family: Lamiaceae). Among the extracts, the EtOH extract contained the highest total phenolic (89.96 mg GAE/g) and flavonoid (45.74 mg RE/g) contents. Phenylethanoid glycosides were predominant, particularly in the ethanol and aqueous extracts, and teucroside/forsythoside B and verbascoside/forsythoside A were tentatively identified as the major compounds. EtOH and 70% EtOH extracts showed comparable (p > 0.05) anti-DPPH activity (201.89 and 188.52 mg TE/g), Cu++ (562.81 and 547.88 mg TE/g), and Fe+++ (329.13 and 320.08 mg TE/g) reducing capacities. The EtOH extract showed the best antityrosinase activity (72.00 mg KAE/g). The EtOAc extract inhibited human carbonic anhydrase (CA) isoenzymes I and CAII (IC50 = 26.86 and 65.37 μg/mL, respectively). Complementary in silico analyses of the major phenylethanoid and flavonoid glycosides supported their possible multitarget interaction patterns and identified the Forsythoside A-BChE complex as a computationally favorable model for future experimental validation. Overall, these findings indicate that T. scordium subsp. scordioides may represent a natural source of antioxidants and enzyme inhibitors for use in different health-promoting formulations.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70216"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13125859/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763783","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

Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications. 联苯菊酯立体异构体及其调控意义。

IF 3.1 4区化学

ChemistryOpen Pub Date : 2026-05-01 DOI: 10.1002/open.70212

Nayara C M Santos, Nayara D Coutinho, Vitor S Duarte, Anderson Catao, Antônio S N Aguiar, Lucas D Dias, James O Fajemiroye, Hamilton B Napolitano

{"title":"Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications.","authors":"Nayara C M Santos, Nayara D Coutinho, Vitor S Duarte, Anderson Catao, Antônio S N Aguiar, Lucas D Dias, James O Fajemiroye, Hamilton B Napolitano","doi":"10.1002/open.70212","DOIUrl":"10.1002/open.70212","url":null,"abstract":"Bifenthrin (BF) is a synthetic pyrethroid insecticide extensively applied in agricultural and urban pest control. The molecular structure contains two stereogenic centers, giving rise to four stereoisomers with distinct physicochemical, electronic, and biological properties. However, many regulatory frameworks still consider BF as a single racemic active substance. Herein, we present a comprehensive structural and theoretical investigation of BF, integrating solid-state analysis with electronic structure calculations based on density functional theory. Also, supramolecular arrangements were analyzed using Hirshfeld surface, quantum theory of atoms in molecules, and natural bond orbital approaches. In parallel, global and local reactivity descriptors were evaluated through frontier molecular orbital analysis, molecular electrostatic potential mapping, and Fukui indices. Finally, the findings reveal stereoelectronic differences among the BF stereoisomers, with the 1S,3S isomer displaying a markedly anisotropic charge distribution and enhanced electronic reactivity, thereby underscoring the importance of incorporating stereochemical knowledge into pesticide risk assessment.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 5","pages":"e70212"},"PeriodicalIF":3.1,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13096588/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147728619","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