ChemPlusChem最新文献_第4页

Archaeometric Analyses of Medieval Pottery From the Lower Danube Region, Romania. 罗马尼亚多瑙河下游地区中世纪陶器的考古分析。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-04 DOI: 10.1002/cplu.202500113

Roxana Bugoi, Constantin Haitǎ, Cristina Talmaţchi, Ana-Maria Banici

{"title":"Archaeometric Analyses of Medieval Pottery From the Lower Danube Region, Romania.","authors":"Roxana Bugoi, Constantin Haitǎ, Cristina Talmaţchi, Ana-Maria Banici","doi":"10.1002/cplu.202500113","DOIUrl":"https://doi.org/10.1002/cplu.202500113","url":null,"abstract":"This paper discusses the pottery manufacturing in the Lower Danube region during the Early Medieval period. Optical Microscopy (OM), Particle Induced X-ray Emission (PIXE) and X-ray Diffraction (XRD) were performed on thirty-two ceramic shards unearthed at Pantelimonu de Sus, Romania, dated to the 8th-10th c. AD. The petrographic observations showed an important variability in terms of mineral composition, homogeneity and porosity, documented by the presence of four types of ceramic paste, indicating the use of alluvial and kaolinitic clays. The mineralogy of selected ceramic fragments was further refined by powder XRD. The Principal Component Analysis (PCA) of the PIXE data separated the fragments made of kaolinitic clays from the rest. The archaeometric investigations showed that during the Early Middle Age, the potters from Pantelimonu de Sus used alluvial and kaolinitic clays, most likely of local or regional origin to manufacture various kind of vessels. Most potteries were fired in an oxidising atmosphere - complete or incomplete - at temperatures ranging from 600 °C to 900 °C. The analytical data were compared to those previously obtained on coeval ceramic finds from some nearby archaeological sites; a certain degree of similarly of the results was evidenced.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500113"},"PeriodicalIF":3.0,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214477","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

Mechanochemical Large-Scale Rapid Synthesis of Ultrapure Sodium Hexafluorophosphate. 超纯六氟磷酸钠的机械化学大规模快速合成。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-04 DOI: 10.1002/cplu.202400640

Marimuthu Senthilkumaran, Bharathkumar H Javaregowda, Prakash Babu Rajendran, Rajalakshmi Balasubramanian, Thalasseril G Ajithkumar, Sapna Ravindranathan, Kothandam Krishnamoorthy

{"title":"Mechanochemical Large-Scale Rapid Synthesis of Ultrapure Sodium Hexafluorophosphate.","authors":"Marimuthu Senthilkumaran, Bharathkumar H Javaregowda, Prakash Babu Rajendran, Rajalakshmi Balasubramanian, Thalasseril G Ajithkumar, Sapna Ravindranathan, Kothandam Krishnamoorthy","doi":"10.1002/cplu.202400640","DOIUrl":"https://doi.org/10.1002/cplu.202400640","url":null,"abstract":"Among the sodium battery electrolytes, sodium hexafluorophosphate (NaPF6) exhibits superior conductivity, anodic stability, and stable cathode electrolyte interface compared to other electrolytes. Therefore, the synthesis of pure NaPF6 through a simple process is very important. Usually, NaPF6 is synthesized using HF. In our approach, NaPF6 is synthesized by grinding dry ammonium hexafluorophosphate (NH4PF6) and sodium metal. Sodium injects an electron into the ammonium ion, which results in the formation of ammonia and hydrogen. The gram scale synthesis is completed in about 30 min. Purification of the product is not needed. The product purity is confirmed by various spectroscopic and electrochemical techniques. Usually, NaPF6 comprises NaF, HF, and solvents as impurities that affect the performance of SIBs. It has been confirmed that the NaPF6 synthesized by our mechanochemical approach in the absence of solvent is devoid of impurities despite the absence of product purification step. Furthermore, the synthesis of pure NaPF6 (250 g) is demonstrated using a grinder used as household item in cooking Indian pancakes, which costs about 300 USD. The duration of the synthesis of 250 g pure NaPF6 is 1 h. The purity of this sample is comparable to that of NaPF6 (5 g) synthesized using mortar and pestle.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2400640"},"PeriodicalIF":3.0,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214480","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

Donor-Acceptor Interactions of C₆₀F₁₈ with Polycyclic Aromatic Hydrocarbons: Size Effects in Bulk Crystallization and Surface Constraints. c60f18与多环芳烃的供体-受体相互作用：体积结晶和表面约束的尺寸效应。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-03 DOI: 10.1002/cplu.202500243

Nicholas J DeWeerd, Sebastian Balser, Long K San, Rogger Palacios-Rivera, Steven H Strauss, Esther Barrena, Yu-Sheng Chen, Carmen Ocal, Daniel Martin-Jimenez, Olga V Boltalina

{"title":"Donor-Acceptor Interactions of C60F18 with Polycyclic Aromatic Hydrocarbons: Size Effects in Bulk Crystallization and Surface Constraints.","authors":"Nicholas J DeWeerd, Sebastian Balser, Long K San, Rogger Palacios-Rivera, Steven H Strauss, Esther Barrena, Yu-Sheng Chen, Carmen Ocal, Daniel Martin-Jimenez, Olga V Boltalina","doi":"10.1002/cplu.202500243","DOIUrl":"10.1002/cplu.202500243","url":null,"abstract":"An in-depth study of donor-acceptor (D/A) interactions between the high-dipole acceptor C60F18 (A) and polycyclic aromatic hydrocarbon (PAH) donors-pyrene, perylene, and coronene-reveals a surprisingly strong PAH size influence on the D/A complex stoichiometry and ordering in co-crystals. The crystallographic study shows the tendency of D/A mixtures to form stacked layered structures for the larger PAHs, perylene and coronene, while the role of aromatic π-π interactions diminishes, in contrast to the smaller pyrene/C60F18 system. The behavior of the layered-D/A assemblies is investigated by utilizing sequential deposition and co-evaporation of C60F18 and coronene on Au(111) surfaces. Scanning tunneling microscopy shows that the flat lying configuration adopted by coronene on the metal, which forms highly ordered close-packed monolayers stabilized by the interaction between their π electrons and the high density of gold surface states, hinders the formation of the ordered assemblies of the corresponding co-crystal. The influence of the substrate plus the critical role played by electronic and steric effects in the co-crystal formation are believed to cause the lack of viability. However, it is remarkable that, on the surface, adsorbed single C60F18 molecules are well centered on top of one coronene molecule, facilitating charge transfer between D and A molecules.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500243"},"PeriodicalIF":3.0,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214478","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

Characterization of the Colorants in Antonio Raimondi's Botanical Watercolors by XRF and Raman Spectroscopies. 用XRF和拉曼光谱表征Antonio Raimondi植物水彩画中的着色剂。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-03 DOI: 10.1002/cplu.202500268

Patricia Gonzales, Betty Cristina Galarreta, Sara Isabel Córdova Tuppia, Luis Felipe Villacorta Ostolaza, Ximena Bruna Lema

{"title":"Characterization of the Colorants in Antonio Raimondi's Botanical Watercolors by XRF and Raman Spectroscopies.","authors":"Patricia Gonzales, Betty Cristina Galarreta, Sara Isabel Córdova Tuppia, Luis Felipe Villacorta Ostolaza, Ximena Bruna Lema","doi":"10.1002/cplu.202500268","DOIUrl":"https://doi.org/10.1002/cplu.202500268","url":null,"abstract":"X-Ray fluorescence and Raman spectroscopic analysis of a set of 17 of Antonio Raimondi's botanical watercolors was performed. Results from this first non-destructive chemical study allowed us to start to understand the palette of this important Italian naturalist who registered Peruvian botanical history in the 19th century. Carbon-based black, vermillion, Prussian blue, chrome yellow, gamboge, lead white, yellow ochre, red lead, and hematite were the main colorants identified in these watercolors. In addition to this, azurite and lazurite were also detected by Raman but the absence of their corresponding signals in XRF analysis suggests that they may be mixed in small quantities with the main colorants. Finally, the presence of phthalocyanine blue and beta-oxy-naphthoic acid, modern synthetic colorants that were introduced in the 20th century, suggests a later intervention in a few of these illustrations. This information contributes to a better understanding of the materials used by Raimondi specifically, and of the colorants available to artists at that time in Peru.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500268"},"PeriodicalIF":3.0,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207263","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

Thermally Crosslinked Triphenylamine-Fluorene Conjugated Polymers: A Strategy for Stable and Efficient Electrochromic Materials. 热交联三苯胺-芴共轭聚合物：一种稳定高效的电致变色材料策略。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-03 DOI: 10.1002/cplu.202500186

Dongwen Zou, Xiaopeng Zhang, Hongyang Li, Ying Cui, Qilin Zhang, Yaowu He, Hong Meng

{"title":"Thermally Crosslinked Triphenylamine-Fluorene Conjugated Polymers: A Strategy for Stable and Efficient Electrochromic Materials.","authors":"Dongwen Zou, Xiaopeng Zhang, Hongyang Li, Ying Cui, Qilin Zhang, Yaowu He, Hong Meng","doi":"10.1002/cplu.202500186","DOIUrl":"10.1002/cplu.202500186","url":null,"abstract":"A series of thermally crosslinkable triphenylamine-fluorene conjugated polymers (MeVb1, MeVb2, and MeVb3) with varying crosslinking densities are synthesized and systematically studied. Upon thermal crosslinking, these polymers exhibit enhanced solvent resistance and uniform film morphology. All films demonstrate stable electrochromic behavior, with tunable color transitions from transmissive yellow to deeper color. All-solid-state electrochromic devices incorporating these polymers and WO3 exhibit excellent reversibility. Among them, the MeVb3-X-based device, which has the highest crosslinking density, achieves the best solvent resistance and a high optical contrast (ΔT%) of 61.3% at 900 nm, fast switching speeds (3.3 s for coloration and 1.7 s for bleaching), and high coloration efficiency (up to 296.2 cm2 C-1). Furthermore, it demonstrates good cyclic stability, maintaining 90% of its initial contrast after 1000 cycles. These results highlight the potential of thermally crosslinked conjugated polymers as highly stable and efficient electrochromic materials, making them promising candidates for practical electrochromic applications.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500186"},"PeriodicalIF":3.0,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214481","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

Proposal of Molecular-Level Crystallization Mechanism for Halogenated Benzyl Alcohols: A Study of Isostructural Crystals. 卤化苄基醇分子水平结晶机理的提出：同构晶体的研究。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-06-01 DOI: 10.1002/cplu.202500144

Patrick Teixeira Campos, Pedro Henrique Cunha do Couto, Álex Canez Lemos Souza, Juliano Alex Roehrs

{"title":"Proposal of Molecular-Level Crystallization Mechanism for Halogenated Benzyl Alcohols: A Study of Isostructural Crystals.","authors":"Patrick Teixeira Campos, Pedro Henrique Cunha do Couto, Álex Canez Lemos Souza, Juliano Alex Roehrs","doi":"10.1002/cplu.202500144","DOIUrl":"10.1002/cplu.202500144","url":null,"abstract":"Herein, crystallization mechanisms for halogenated benzyl alcohols, based on theoretical energetic and topological data of intermolecular and supramolecular interactions, are proposed. All interactions are verified and energetically classified by density functional theory and their contribution at each contact point is analyzed using quantum theory of atoms in molecules model. Weak interactions, such as CH···X, CH···C e C···X, perform a key role in stabilizing the crystal packing due to the larger contact area of these fragments and their higher occurrence, compared to strong interactions such as OH···O. The crystallization mechanisms are proposed based on the model developed by the research group. The mechanism starts with the strongest interaction (π···π) present in the first coordination sphere, which forms the first 1D supramolecular chain. From this chain, hypotheses of approximation between these chains are analyzed to determine the most stable arrangement for the formation of the supramolecular layer 2D. The process continues until the formation of a supramolecular structure (3D) with growth in its three directions through interactions X···X via σ-hole. The compounds in the ortho and para positions demonstrated isostructuralism in the equivalent positions, even with the variation of the halogen (chlorine and bromine).","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500144"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197852","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

Exploring Substituted Dihydroxybenzenes as Urease Inhibitors through Structure-Activity Relationship Studies in Soil Incubations. 在土壤培养中探讨取代二羟基苯作为脲酶抑制剂的构效关系。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-05-31 DOI: 10.1002/cplu.202500068

Joses G Nathanael, Haohan Kang, Uta Wille

{"title":"Exploring Substituted Dihydroxybenzenes as Urease Inhibitors through Structure-Activity Relationship Studies in Soil Incubations.","authors":"Joses G Nathanael, Haohan Kang, Uta Wille","doi":"10.1002/cplu.202500068","DOIUrl":"10.1002/cplu.202500068","url":null,"abstract":"Urea fertilization as nitrogen (N) source is essential for increasing crop productivity. However, it results in significant N loss through ammonia volatilization, nitrate leaching, and nitrous oxide emissions, causing environmental harm and economic loss. Urease, an enzyme in soil, rapidly catalyzes urea hydrolysis to ammonia/ammonium. To reduce ammonia volatilization, urease inhibitors delay hydrolysis until urea is dissolved in the soil body. The commercial product N-(n-butyl)thiophosphoric triamide (NBPT) is effective only in certain soils, yet it dominates the current global urease inhibitor market. This study examines the performance of un- and substituted dihydroxybenzenes (DHBs) as alternatives to NBPT in two Australian soils. Among them, 4-fluorocatechol (DHB 6) and 4-bromocatechol (DHB 8) are more effective in delaying urea hydrolysis than NBPT in acidic sandy loam soil. Michaelis-Menten kinetics reveals that NBPT acts as a competitive inhibitor, while DHB 8 acts as a noncompetitive inhibitor. Density functional theory calculations suggest that DHB 8 binds to the cysteine residue in the urease mobile flap, reducing its flexibility and preventing it from assisting urea hydrolysis. This study demonstrates the potential of DHBs as efficient urease inhibitors in certain soils, offering an environmentally viable alternative to NBPT.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500068"},"PeriodicalIF":3.0,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144191306","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

Unveiling Electron Dynamics in the Electrochemical Reduction of CO₂ to Methane on Copper. 揭示铜上CO2电化学还原为甲烷的电子动力学。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-05-31 DOI: 10.1002/cplu.202500250

AbhayRam Balakrishnan, Wei-Sen Chen, Yu-Ho Cheng, Kuan-Hua Wang, Mu-Jeng Cheng

{"title":"Unveiling Electron Dynamics in the Electrochemical Reduction of CO2 to Methane on Copper.","authors":"AbhayRam Balakrishnan, Wei-Sen Chen, Yu-Ho Cheng, Kuan-Hua Wang, Mu-Jeng Cheng","doi":"10.1002/cplu.202500250","DOIUrl":"10.1002/cplu.202500250","url":null,"abstract":"Electrochemical reduction of CO2 (CO2ER) into fuels is a crucial strategy for mitigating climate change and meeting sustainable energy demands. Among catalytic materials, copper stands out due to its ability to convert CO2 into a diverse range of hydrocarbons and oxygenates with significant current density. Quantum mechanical studies have greatly advanced the understanding of CO2ER on copper surfaces; however, most have focused on thermodynamics and/or kinetics to elucidate reaction mechanisms or explain experimental trends, leaving orbital-level insights largely unexplored. In this study, density functional theory calculations combined with intrinsic bond orbital analysis to track orbital evolution across 13 protonation steps involved in CO2ER to methane are employed. Based on these results, an arrow-pushing diagram is constructed to illustrate the electron flow for each step. This methodology allows to identify the key orbital used by each CO2ER intermediate to accommodate the transferred proton. Furthermore, this approach also reveals that the copper electrode actively participates in six protonation steps by exchanging pairs of electrons with CO2ER intermediates that are either selectivity-determining or rate-determining steps. These insights deepen the understanding of CO2ER mechanisms and provide a foundation for developing strategies to enhance its efficiency and selectivity.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500250"},"PeriodicalIF":3.0,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144191307","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

4D Printing with Liquid Crystal Elastomers: Materials, Methods, and Emerging Applications. 4D打印与液晶弹性体：材料，方法和新兴的应用。

IF 3 4区化学

ChemPlusChem Pub Date : 2025-05-29 DOI: 10.1002/cplu.202500049

Raj Kumar Khan

{"title":"4D Printing with Liquid Crystal Elastomers: Materials, Methods, and Emerging Applications.","authors":"Raj Kumar Khan","doi":"10.1002/cplu.202500049","DOIUrl":"10.1002/cplu.202500049","url":null,"abstract":"4D printing represents a transformative leap in material science, enabling the fabrication of smart materials that change shape, properties, or functions over time in response to stimuli like heat, light, or magnetic fields. Among these, liquid crystal elastomers (LCEs) stand out due to their unique combination of liquid crystalline order and polymer elasticity. This fusion enables LCEs to undergo large, reversible shape changes, making them ideal for applications in soft robotics, biomedical devices, sensors, and adaptive optics. This review explores the latest advancements in the 4D printing of LCEs, focusing on cutting-edge fabrication techniques such as direct ink writing, VAT photopolymerization, and hybrid approaches. These methods provide precise control over molecular alignment, enabling the creation of programmable structures capable of complex movements. Integrating LCEs with nanoparticles, liquid metals, and shape-memory polymers has further enhanced their mechanical strength, thermal stability, and multifunctionality. Despite these breakthroughs, challenges remain in achieving scalability, long-term stability, and cost-effective production. This review highlights these hurdles and discusses potential solutions while emphasizing the future potential of LCEs in revolutionizing industries such as healthcare, robotics, and environmental monitoring. This article aims to inspire further innovation in 4D-printed LCE technologies by offering a comprehensive overview.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e2500049"},"PeriodicalIF":3.0,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144172381","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

Modification of Palladium Catalyst Properties by p-Elements (Sulfur and Phosphorus) in the Direct Synthesis of Hydrogen Peroxide: A Comparative Study. 过氧化氢直接合成中p元素（硫和磷）改性钯催化剂性能的比较研究

IF 3 4区化学

ChemPlusChem Pub Date : 2025-05-28 DOI: 10.1002/cplu.202500190

Lyudmila B Belykh, Nikita I Skripov, Elena A Milenkaya, Tatyana A Kornaukhova, Fedor K Schmidt

引用次数: 0