ChemistryOpen最新文献_第5页

Bioleaching as an Eco-Friendly Nano-Factory for Sustainable Inorganic Waste Management: Current Advancements, Challenges, and Opportunities. 生物浸出作为可持续无机废物管理的环保纳米工厂：目前的进展、挑战和机遇。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-15 DOI: 10.1002/open.202500104

Adhish Jaiswal, S Irudhaya Raj, Adegoke Isiaka Adetunji, Latifa Negadi, Sangeeta Singh, Kaniki Tumba, Indra Bahadur, Imran Uddin

{"title":"Bioleaching as an Eco-Friendly Nano-Factory for Sustainable Inorganic Waste Management: Current Advancements, Challenges, and Opportunities.","authors":"Adhish Jaiswal, S Irudhaya Raj, Adegoke Isiaka Adetunji, Latifa Negadi, Sangeeta Singh, Kaniki Tumba, Indra Bahadur, Imran Uddin","doi":"10.1002/open.202500104","DOIUrl":"https://doi.org/10.1002/open.202500104","url":null,"abstract":"Inorganic waste management and metal recovery technology pose significant challenges to the global research community and policymakers. Bioleaching is an economical, eco-friendly, and sustainable technology used for extracting metals and nanoparticles from inorganic waste streams, including e-waste, fly ash, ore, spent batteries, and petroleum catalysts. Valuable metals are recovered from these waste materials by microbial action. Bioleaching occurs by redoxolysis, acidolysis, and complexolysis processes. The present review provides insights into global trends and hazards of e-waste while also discussing the bioleaching of metals and nanoparticles from various inorganic wastes. In addition, the review focuses on the mechanistic pathway of the bioleaching process and computational aspects, such as the response surface method employed for enhanced recovery of metals from solid waste materials. Various physicochemical and biological parameters influencing metal bioleaching, as well as economic impacts and challenges affecting the bioleaching of metals from solid wastes, are discussed.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500104"},"PeriodicalIF":2.5,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076299","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

Front Cover: Synthesis of Thieno[2,3-c]pyridine Derivatives by 1,2,3-Triazole-Mediated Metal-Free Denitrogenative Transformation Reaction (ChemistryOpen 5/2025)

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-13 DOI: 10.1002/open.202580501

Kumsal Eroğlu, Prof. Dr. Ömer Tahir Günkara, Prof. Dr. Wim Dehaen

引用次数: 0

SiO₂@Benzothiazole-Cl@Fc as an Efficient Heterogeneous Catalyst for the Synthesis of 1,3,5-Trisubstituted Pyrazoles by A³ Coupling. SiO2@Benzothiazole-Cl@Fc作为A3偶联合成1,3,5-三取代吡唑的高效非均相催化剂。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-13 DOI: 10.1002/open.202500024

Fadhil Faez Sead, Vicky Jain, Roopashree R, Aditya Kashyap, Suman Saini, Girish Chandra Sharma, Pushpa Negi Bhakuni, Mosstafa Kazemi, Ramin Javahershenas

{"title":"SiO2@Benzothiazole-Cl@Fc as an Efficient Heterogeneous Catalyst for the Synthesis of 1,3,5-Trisubstituted Pyrazoles by A3 Coupling.","authors":"Fadhil Faez Sead, Vicky Jain, Roopashree R, Aditya Kashyap, Suman Saini, Girish Chandra Sharma, Pushpa Negi Bhakuni, Mosstafa Kazemi, Ramin Javahershenas","doi":"10.1002/open.202500024","DOIUrl":"https://doi.org/10.1002/open.202500024","url":null,"abstract":"This research introduces the preparation and analysis of a newly heterogeneous catalyst developed silica nanospheres supporting a ferrocene-containing ionic liquid (IL) (SiO2@Benzothiazole-Cl@Fc) for the A3 coupling reaction. The catalyst facilitates the efficient synthesis of 1,3,5-trisubstituted pyrazoles from aromatic hydrazides, aldehydes, and aromatic alkynes. Incorporating ferrocene enhances the catalytic activity. Comprehensive characterization techniques, including NMR, Fourier transform infrared, transmission electron microscopy, energy-dispersive X-ray spectroscopy, and scanning electron microscopy, confirm the successful functionalization of silica nanospheres. The catalytic performance was evaluated under various reaction conditions, demonstrating high yields and selectivity for the desired pyrazole products. This work highlights the potential of ferrocene-based ILs in green chemistry applications, providing a sustainable approach to synthesizing valuable heterocyclic compounds.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500024"},"PeriodicalIF":2.5,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143978527","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

Effect of Electron Donor Groups on Optoelectronic Properties of Betalain Dyes: A DFT Study. 电子给体基团对甜菜碱染料光电性能影响的DFT研究。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-13 DOI: 10.1002/open.202400525

Melkizedeck Hiiti Tsere, Rene Costa, Geradius Deogratias, Tatiana Pogrebnaya, Alexander Pogrebnoi, Revocatus Machunda, Ohoud S Al-Qurashi, Nuha Wazzan, Nambury Surendra Babu

{"title":"Effect of Electron Donor Groups on Optoelectronic Properties of Betalain Dyes: A DFT Study.","authors":"Melkizedeck Hiiti Tsere, Rene Costa, Geradius Deogratias, Tatiana Pogrebnaya, Alexander Pogrebnoi, Revocatus Machunda, Ohoud S Al-Qurashi, Nuha Wazzan, Nambury Surendra Babu","doi":"10.1002/open.202400525","DOIUrl":"https://doi.org/10.1002/open.202400525","url":null,"abstract":"A sensitizer is a vital component of dye-sensitized solar cells (DSSCs); it absorbs incident photons, excites electrons, and facilitates charge transfer to the semiconductor. In the present work, modification of betalain dyes through grafting of electron donor groups has been performed. The reported optoelectronic properties of the investigated dyes are determined using density functional theory (DFT) and time-dependent DFT methods. The investigated sensitizers exhibit maximum absorption between 400 and 442 nm with light-harvesting efficiencies exceeding 93%. Favorable interactions are observed between the dyes and the hydrogenated TiO2 cluster, (TiO2)6H3. The obtained binding energies range from -1.39 to -0.97 eV in the gas phase and -0.31 to -0.03 eV in water. The electronic spectra of the dye@TiO2 complexes show broader and intensive bands with bathochromic shifts when compared to the individual dyes. The charge density distribution in the complexes indicates appropriate ability of the dyes for charge injection to the semiconductor. Among the considered dyes, the most promising candidates for use in DSSCs have been selected.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2400525"},"PeriodicalIF":2.5,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143985932","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

Cs₂CO₃-N,N-Dimethylacetamide-Promoted Esterification of Arylformic Acids with a-Bromo Esters via Nucleophilic Substitution. Cs2CO3-N， n -二甲基乙酰胺促进芳基甲酸与a-溴酯的亲核取代酯化反应。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-13 DOI: 10.1002/open.202500129

Xinyan Song, Mingxin Li, Haihong Bao, Mohan Hao, Hanxiang Wang, Yu Tian, Yue Wu, Yun Zhou, Ruiying Wan, Wei Li, Haixing Guan

引用次数: 0

Chemical Characterization, Antioxidant and Enzyme-Inhibitory Activities of Different Extracts from Three Phlomis Species. 三种兰属植物不同提取物的化学性质、抗氧化和酶抑制活性。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-12 DOI: 10.1002/open.202500004

Sakina Yagi, Gokhan Zengin, Mehmet Veysi Cetiz, Zoltán Cziáky, József Jeko, Muammer Bahşi, Uğur Çakılcıoğlu, Halbay Turumtay, Abdurrahman Aktumsek

{"title":"Chemical Characterization, Antioxidant and Enzyme-Inhibitory Activities of Different Extracts from Three Phlomis Species.","authors":"Sakina Yagi, Gokhan Zengin, Mehmet Veysi Cetiz, Zoltán Cziáky, József Jeko, Muammer Bahşi, Uğur Çakılcıoğlu, Halbay Turumtay, Abdurrahman Aktumsek","doi":"10.1002/open.202500004","DOIUrl":"https://doi.org/10.1002/open.202500004","url":null,"abstract":"Phlomis species (family Lamiaceae) are highly valued as food and herbal medicine. The present study is designed to investigate the chemical composition and antioxidant and enzyme inhibitory activities of extracts from P. fruticosa, P. herba-venti, and P. kurdica aerial parts. Different classes of metabolites, including phenolic acids, phenylethanoids, flavonoids, iridoids, organic acids, terpenes, and fatty acids, are identified in the three species, with methanol as the best solvent to recover bioactive compounds from the three species in addition to ethyl acetate for P. kurdica. Around 70% methanol extract of P. herba-venti exerts the best radical scavenging and ions-reducing properties, while its methanol extract exhibits the highest acetylcholinesterase inhibitory activity. The ethyl acetate extract of P. fruticosa displays the best chelating power, and its other polar extracts have the highest total antioxidant activity. Furthermore, molecular docking and molecular dynamics simulations have underscored the therapeutic potential of bioactive compounds, including isoverbascoside, samioside, forsythoside B, and hattushoside. In conclusion, the study indicates that these three Phlomis species are a rich source of bioactive molecules with possible therapeutic applications, and the selection of appropriate extraction solvents is crucial for the targeted biological activity.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500004"},"PeriodicalIF":2.5,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143984866","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

Thermodynamic and Interfacial Characterization of Petroleum Industry Surfactants: A Study on Critical Micelle Concentration and Interfacial Tension Behavior under Mild Conditions. 石油工业表面活性剂的热力学和界面表征：温和条件下临界胶束浓度和界面张力行为研究。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-09 DOI: 10.1002/open.202500066

Rebeka Bejczi, Roland Nagy

{"title":"Thermodynamic and Interfacial Characterization of Petroleum Industry Surfactants: A Study on Critical Micelle Concentration and Interfacial Tension Behavior under Mild Conditions.","authors":"Rebeka Bejczi, Roland Nagy","doi":"10.1002/open.202500066","DOIUrl":"https://doi.org/10.1002/open.202500066","url":null,"abstract":"Surfactants play a vital role in oil and gas applications, particularly in enhanced oil recovery (EOR), where interfacial tension (IFT) reduction and micellization are key to improving fluid mobility. This study aims to evaluate the interfacial and thermodynamic properties of five widely used petroleum surfactants to better understand their efficiency under mild reservoir-like conditions. IFT is measured using the spinning drop tensiometer across a temperature range of 25-40 °C, while critical micelle concentrations (CMC) are determined via conductometric methods. Thermodynamic parameters of micellization are calculated from temperature-dependent CMC data. The results show that micellization is an entropy-driven process for all tested surfactants. The studied surfactants significantly reduce IFT values within the tested temperature range, underscoring their potential for practical application in EOR formulations. The study also confirms that accurate determination of CMC is essential in optimizing surfactant efficiency under varying environmental conditions.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500066"},"PeriodicalIF":2.5,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143968326","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

Electrocoagulation Column for the Removal of Chromium from Tannery Wastewater: Adsorption Kinetics and Sludge Recovery. 电絮凝塔去除制革废水中的铬：吸附动力学和污泥回收。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-09 DOI: 10.1002/open.202400497

Nahid M Genawi, Nafis Mahmud, Elfatih A Hassan, Muftah H El-Naas

{"title":"Electrocoagulation Column for the Removal of Chromium from Tannery Wastewater: Adsorption Kinetics and Sludge Recovery.","authors":"Nahid M Genawi, Nafis Mahmud, Elfatih A Hassan, Muftah H El-Naas","doi":"10.1002/open.202400497","DOIUrl":"https://doi.org/10.1002/open.202400497","url":null,"abstract":"Electrocoagulation is an efficient electrochemical technology used for the treatment of contaminants in wastewater with reportedly high efficiency in treating chromium-rich wastewater. In this study, the removal of chromium (III) ions from tannery wastewater by electrocoagulation is investigated at different pH, current density, and chromium concentrations. The complete removal of chromium ions is achieved at a pH of 6.5, current density of 10.0 mA cm-2, and chromium concentration of 500 mg L-1 in batch experiments within an hour. The results showed that the formation of coagulant species during the first 30 min facilitated the chromium removal efficiency through both electrocoagulation and adsorption at low pH of 4. When taking into account varying adsorbent mass, the acquired adsorption kinetics data demonstrates an excellent fit to the pseudo-second-order model, predicting a chromium absorption of 5000 mg g-1 compared to the experimental uptake of 5108 mg g-1. In contrast, the experimental and calculated uptakes for fixed adsorbent mass were 5108 and 83333 mg g-1, respectively. The observed discrepancy in the uptake when using fixed mass confirms the advantage of considering the variable adsorbent mass for predicting the adsorption during electrocoagulation. Moreover, 97% of chromium was recovered from the generated sludge using 4% H2SO4 which can ensure the minimization of the hazardus sludge disposal.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2400497"},"PeriodicalIF":2.5,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143966099","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

Dual-Function Bis-Tetraphenylethenes for Selective Metal Ion and Glutathione Detection and Current Transformer Application. 双功能双四苯乙烯选择性金属离子和谷胱甘肽检测及电流互感器应用。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-06 DOI: 10.1002/open.202500045

Sinan Bayindir, Sebiha Akar, Abdullah S Hussein, Ferruh Lafzi, İkram Orak

{"title":"Dual-Function Bis-Tetraphenylethenes for Selective Metal Ion and Glutathione Detection and Current Transformer Application.","authors":"Sinan Bayindir, Sebiha Akar, Abdullah S Hussein, Ferruh Lafzi, İkram Orak","doi":"10.1002/open.202500045","DOIUrl":"https://doi.org/10.1002/open.202500045","url":null,"abstract":"This study reports the synthesis of bis-substituted tetraphenylethenes (TPEs) and the investigation of their photophysical and photochemical properties. Utilizing the aggregation-induced emission characteristic of TPEs, this study demonstrates that BPh-TPE and BRh-TPE function as \"turn-off\" fluorescent sensors for detecting Cu2+ and Hg2+/Ag+, respectively, exhibiting quenched fluorescence in the presence of these ions. The limits of detection (LODs) for Cu2+, Hg2+, and Ag+ are determined to be 299, 522 nM, and 1.58 μM, respectively. Interestingly, the probes also show \"turn-on\" fluorescence upon the addition of glutathione (GSH) in the presence of Cu2+ or Hg2+. Specifically, the LOD for GSH using the BPh-TPE-Cu2+ complex is 457 nM. Practical applicability is confirmed via visual color changes on filter paper and in water samples. These findings highlight the potential of these TPE derivatives for detecting copper, mercury, silver ions, and GSH in environmental water. Additionally, Al/organic layer/p-Si heterojunction devices incorporating spin-coated TPE layers are fabricated. Their electrical behaviors are analyzed through current-voltage and current-time measurements under varying light conditions. Transient photocurrent analysis indicates strong photoresponse, supporting their suitability for optoelectronic and photovoltaic applications.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500045"},"PeriodicalIF":2.5,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143976089","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

Computational Approaches for PPARγ Inhibitor Development: Recent Advances and Perspectives. PPARγ抑制剂开发的计算方法：最新进展和展望。

IF 2.5 4区化学

ChemistryOpen Pub Date : 2025-05-06 DOI: 10.1002/open.202500087

Ayanda M Magwenyane, Hezekiel M Kumalo

{"title":"Computational Approaches for PPARγ Inhibitor Development: Recent Advances and Perspectives.","authors":"Ayanda M Magwenyane, Hezekiel M Kumalo","doi":"10.1002/open.202500087","DOIUrl":"https://doi.org/10.1002/open.202500087","url":null,"abstract":"The development of peroxisome proliferator-activated receptor gamma (PPARγ) inhibitors has attracted significant interest for treating metabolic disorders, cancer, and inflammatory diseases. This review highlights the crucial role of computational modelling in advancing PPARγ inhibitor development, emphasizing how these techniques streamline the identification, optimization, and evaluation of new drug candidates. Key methods include molecular docking, QSAR, and molecular dynamics simulations, which enhance the efficiency and accuracy of inhibitor design. Computational modelling has deepened our understanding of PPARγ binding mechanisms and conformational dynamics, allowing researchers to predict and optimize ligand-receptor complex stability. Despite these advancements, challenges remain, such as improving predictions of pharmacokinetic properties (ADME) to evaluate drug-like qualities. In conclusion, computational modelling has significantly enhanced PPARγ inhibitor discovery and development, offering new opportunities to address complex diseases. Continued refinement of these models, combined with experimental validation and emerging technologies, is crucial for overcoming current limitations and achieving successful clinical outcomes.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500087"},"PeriodicalIF":2.5,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143975241","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