ChemistrySelectPub Date : 2025-06-28DOI: 10.1002/slct.202502229
Bo Zhao, Zhihua Li, Ziteng Guo, Ziyi Wang, Kang Xie, Weicheng Zhang
{"title":"Exploring the Effects of Trifluoromethyl Group on the Molecular Structure and Properties of Polyimides","authors":"Bo Zhao, Zhihua Li, Ziteng Guo, Ziyi Wang, Kang Xie, Weicheng Zhang","doi":"10.1002/slct.202502229","DOIUrl":"https://doi.org/10.1002/slct.202502229","url":null,"abstract":"<p>To realize high integration and miniaturization of electronic components, the microelectronics field is in urgent need of low dielectric constant materials with high mechanical properties. In this work, a series of fluorinated polyimide films were prepared, the free volume of fluorinated polyimide was calculated using molecular dynamics simulations, and the effect of the trifluoromethyl structure on the thermal, mechanical, and dielectric properties of polyimide (PI) films was discussed. The results show that introducing a trifluoromethyl structure can significantly reduce the dielectric constant and water uptake of PI films. Molecular dynamics simulation results show that the introduction of trifluoromethyl structure increased the free volume fraction of PI, and the films prepared by HFPBDA and 6FDA showed the best performance, with dielectric constant and water uptake were 3.21 and 0.57%, respectively. The tensile strength and elongation at break were 102 MPa and 13.0%, respectively.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144511172","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}
{"title":"Visible Light-Responsive Nanoflower Spheres Bi2-xMoO6:xY3+ for Degradation of Ciprofloxacin","authors":"Yanting Li, Ruolan Wei, Chunjiao Hu, Xiulong Li, Jian Kang, Jingmei Li, Xin Shang, Jianlai Liu, Deye Qu, Deming Han","doi":"10.1002/slct.202500869","DOIUrl":"https://doi.org/10.1002/slct.202500869","url":null,"abstract":"<p>Treatment of residual antibiotics in water is one of the hottest issues facing humanity today, and residual antibiotics can jeopardize the environment and human health. In this study, a Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup> photocatalytic material was prepared to treat residual antibiotics. Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup> showed excellent sensitivity to ciprofloxacin. The experimental results showed that the degradation performance of different ratios of Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup> for ciprofloxacin was much higher than that of a single material. Among them, 1000 mg/L Bi<sub>1.93</sub>MoO<sub>6</sub>:0.07Y<sup>3+</sup> showed 96.99% degradation of ciprofloxacin under LED light irradiation, and 97.15% under sunlight irradiation, which highlighted the good photoresponsivity ability of the material. In addition, Bi<sub>1.93</sub>MoO<sub>6</sub>:0.07Y<sup>3+</sup> removed 43.08% of total nitrogen, 78.00% of total phosphorus, and reduced 84.07% of chemical oxygen demand in aquaculture wastewater within 300 min. The ability of Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup> to treat real wastewater was demonstrated, proving the good application prospect of Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup>. MTT cytotoxicity assay proved the non-toxicity of Bi<sub>2-x</sub>MoO<sub>6</sub>:xY<sup>3+</sup> at laboratory concentration from the cellular level. Stability and recyclability studies confirmed its structural integrity over multiple cycles, highlighting its long-term viability. This study provides a new material that is green, simple, easy to prepare, and has good photocatalytic degradation capability, which is expected to be applied in treating residual antibiotics.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503082","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}
{"title":"Investigation of Ni Doped Zr Metal Ion Scaffolds by Coprecipitation Method for Structural and Biomaterial Applications","authors":"Poovendran Karuppiah, Saranya Selvam, Prasanna Venkatesh Vadivel Murugan, Kathiresan Karuppiah","doi":"10.1002/slct.202501925","DOIUrl":"https://doi.org/10.1002/slct.202501925","url":null,"abstract":"<p>Nickel-substituted zirconium particles (Zr<sub>1-</sub><i><sub>x</sub></i>Ni<i><sub>x</sub></i>O<sub>2</sub>, <i>x</i> = 0, 0.08, 0.18, 0.28, and 0.38) were prepared employing the coprecipitation method. Rietveld refinement supplemented with X-ray diffraction (XRD) revealed that the cubic crystal structure existed even after addition of Ni<sup>2+</sup> ions. Elemental identification was confirmed via energy-dispersive X-ray analysis (EDAX), while scanning electron micrography indicated an irregular, rod-like form following mechanical milling. Optical property was investigated by UV–vis spectroscopy, which provided band gap, and photoluminescence (PL) measurement, which revealed electron-hole recombination with peak emission at 530 nm. Electron density distribution was also explored to verify charge transfer in the material. Antibacterial activity of the nanoparticles was examined against Streptococcus oralis and <i>Bacteroides fragilis</i> and exhibited satisfactory antimicrobial activity. Besides, hemolysis tests were also performed to measure red blood cell destruction. The findings were used to establish the optimal Ni concentration that has to be maintained for preserving structural and functional features of the host lattice of Zr. This study opens avenues for the construction of improved biomaterials for possible use in antimicrobial treatment and biomedical engineering.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503153","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}
{"title":"Green Chemistry: Strategies and Sustainable Approaches for Bridging UN SDGS","authors":"Manish Kumar Sah, Zaineb O. Ettarhouni, Roshani Pathak, Jineetkumar Gawad, Chandrakant Bonde, Satya Prakash Arya, Ajaya Bhattarai","doi":"10.1002/slct.202500847","DOIUrl":"https://doi.org/10.1002/slct.202500847","url":null,"abstract":"<p>Green chemistry provides a sustainable approach to chemical processes by minimizing waste, lowering toxicity, and increasing energy efficiency, all while adhering to its 12 principles. Utilizing renewable resources is essential to green chemistry because it promotes a circular economy in which waste is reduced and materials are reused. This strategy focuses on creating environmentally friendly substitutes for conventional chemical processes, like bio-based synthesis techniques that use enzymes, microbes, and plant extracts to lessen reliance on non-renewable resources. Furthermore, waste-to-value initiatives, like turning agricultural waste into useful products like carbon dots for CO<sub>2</sub> capture, demonstrate how green chemistry can solve environmental issues. In order to lessen the environmental impact of chemical production, green chemistry is also being applied to the development of non-toxic and energy-efficient synthesis techniques. These developments help to improve public health and lower pollution levels in addition to promoting safer, cleaner manufacturing methods. For industries looking to implement more sustainable practices, green chemistry's emphasis on eco-friendly materials and processes offers game-changing solutions. Through the reduction of environmental impact, the promotion of the use of renewable resources, and the improvement of chemical process efficiency, green chemistry offers a novel framework for advancing sustainability across multiple sectors.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503193","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202406183
Xiaoliang Wang, Lige Guo, Kui Pan, Shaobin Yang
{"title":"Mechanism for NiAl-LDH/Graphene Oxide Heterojunctions Absorbing HCl: A First-Principles Study","authors":"Xiaoliang Wang, Lige Guo, Kui Pan, Shaobin Yang","doi":"10.1002/slct.202406183","DOIUrl":"https://doi.org/10.1002/slct.202406183","url":null,"abstract":"<p>Layered double hydroxide (LDH), graphene and their heterojunction can adsorb hydrogen chloride (HCl) released during the pyrolysis of polyvinyl chloride (PVC). But the mechanism is not clear. To investigate the adsorption mechanism and inform the development of high-performance HCl adsorbents and PVC heat stabilizers, this paper established heterojunction models of NiAl-LDH/graphene (LDH/G) and NiAl-LDH/graphene oxide (LDH/GO). It analyzed electronic properties, adsorption orientation, sites, and capacity of HCl on the LDH/G heterojunction by first principles. The most stable adsorption structure is the HCl molecule perpendicular to the G plane, with Cl near the G plane at distance of 3.519 Å, and the adsorption energy is −0.328 eV. LDH/GO heterostructure has excellent adsorption capacity. Among them, LDH/GO with epoxy groups in graphene demonstrates the highest adsorption stability, with an adsorption energy of −0.878 eV. Differential charge density plots show that the structure has the most electron transfer. The partial density of states and total density of states reveal charge transfer occurring during the hybridization and adsorption processes involving the Ni-3d, C-2p, O-2p, and Cl-3p orbitals. The maximum number of adsorbed HCl for the structure is 11 by molecular dynamics simulation. Therefore, LDH/GO heterojunction is a promising material for the adsorption of HCl.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503100","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202503393
Anton D. Degtiarev, Aleksandr A. Barashkin, Yuri K. Grishin, Vitaly A. Roznyatovsky, Viktor A. Tafeenko, Elena A. Tarasenko, Elena K. Beloglazkina
{"title":"Synthesis of Chiral Dispiro-indolinone-pyrrolidine-rhodanines Using (R)/(S)-1-(2,4-dimethoxyphenyl)ethylamine","authors":"Anton D. Degtiarev, Aleksandr A. Barashkin, Yuri K. Grishin, Vitaly A. Roznyatovsky, Viktor A. Tafeenko, Elena A. Tarasenko, Elena K. Beloglazkina","doi":"10.1002/slct.202503393","DOIUrl":"https://doi.org/10.1002/slct.202503393","url":null,"abstract":"<p>The use of (R) or (S)-1-(2,4-dimethoxyphenyl)ethylamines as starting compounds makes it possible to obtain the individual enantiomers of dispiro-indolinone-pyrrolidine-rhodanines with a yield of up to 53% based on a three-step synthesis through the formation of 5-arylidenrhodanines with a chiral substituent at N(3) atom, their subsequent 1,3-dipolar cycloaddition with azomethine ylide generated in situ from isatin and sarcosine and chromatographic separation of the resulting diastereomers.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503154","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202500613
Dr. Arikasuci Fitonna Ridassepri, Yutaro Umejima, Shota Sato, Dr. I. Gusti Made Sanjaya, Nur Hayati, Samik Samik, Prof. Jun Nakamura
{"title":"Investigating the Potency of Boron Doping on Graphene Nanoclusters as Catalysts for CO Reduction Reaction","authors":"Dr. Arikasuci Fitonna Ridassepri, Yutaro Umejima, Shota Sato, Dr. I. Gusti Made Sanjaya, Nur Hayati, Samik Samik, Prof. Jun Nakamura","doi":"10.1002/slct.202500613","DOIUrl":"https://doi.org/10.1002/slct.202500613","url":null,"abstract":"<p>Graphene materials exhibit significant potential as electrocatalysts for the CO reduction reaction (CORR), a crucial process for mitigating greenhouse gas emissions. This study investigates the impact of boron (B) doping on the catalytic performance of graphene nanoclusters (GNCs) for CORR using density functional theory (DFT). Pristine GNC (C<sub>54</sub>H<sub>18</sub>) and B-doped GNC (C<sub>53</sub>H<sub>18</sub>B) were examined through the computational hydrogen electrode (CHE) model. The results demonstrate that B doping slightly enhances adsorption energy, with C<sub>53</sub>H<sub>18</sub>B exhibiting higher adsorption energy (−2.40 × 10<sup>−2</sup> eV) than C<sub>54</sub>H<sub>18</sub> (−0.79 × 10<sup>−2</sup> eV), indicating a modest improvement in interaction strength, which is attributed to the electron-deficient sites introduced by the B atom, which strengthen CO-surface interactions, as evidenced by a shorter distance of 3.62 Å in C<sub>53</sub>H<sub>18</sub>B compared to 3.92 Å in C<sub>54</sub>H<sub>18</sub>. Free energy diagrams for both models reveal that methanol formation follows the same pathway: *CO → *CHO → *CH<sub>2</sub>O→ *OCH<sub>3</sub> →CH<sub>3</sub>OH. Notably, the overpotential required for spontaneous reaction is significantly lower for B-GNC (0.89 V) than for the pristine GNC (1.50 V), indicating that B doping effectively enhances the electrocatalytic activity of GNCs for CORR. These findings highlight that B-GNC is a promising candidate for metal-free electrocatalysts with improved performance for sustainable COR applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202500613","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503191","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202500713
Perihan Akbaş
{"title":"Antimicrobial and Phytochemical Insights into Leiotulus aureus: A Study using SEM, FTIR, and GC-MS","authors":"Perihan Akbaş","doi":"10.1002/slct.202500713","DOIUrl":"https://doi.org/10.1002/slct.202500713","url":null,"abstract":"<p><i>Leiotulus aureus</i>, a member of the Apiaceae family, has traditional medicinal uses in Türkiye for conditions such as stomach pain, hemorrhoids, and nail ailments. It also holds cultural significance, being utilized as a food ingredient in certain regions. This study aims to investigate the chemical composition and antimicrobial properties of <i>L. aureus</i>, assessing its potential applications in the food and pharmaceutical sectors. Ethanol, acetone, and water extracts of the plant were analyzed using SEM, EDS, XRD, FTIR, and GC-MS/MS. EDS revealed high organic content, notably carbon (58.7%), oxygen (35%), and C<sub>2</sub>H<sub>1</sub>Ca<sub>1</sub>O<sub>5</sub>. FTIR analysis identified key functional groups including alcohols, acids, and amines. GC-MS/MS showed abundant bioactives such as cyclohexene (42.01%), ethyl lactate (34.05%), and butyl isobutyrate (11.62%), differing by solvent. Ethanol extracts demonstrated the strongest antimicrobial activity, notably against <i>Candida albicans</i> (20 mm) and <i>Yersinia enterocolitica</i> (18 mm), while MIC values ranged from 250–500 µg mL<sup>−1</sup>. These findings confirm the presence of diverse bioactive compounds with notable antibacterial and antifungal potential, supporting the ethnobotanical use of <i>L. aureus</i>. The study offers a foundation for further isolation and pharmacological evaluation of its active constituents, highlighting its promise as a natural source for therapeutic applications in the pharmaceutical and food industries.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503192","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202501607
Alexandra Vihireva, Konstantin Shirshin, Olga Vdovina, Alexandr Chicharov
{"title":"Polyacrylic Acid as an Effective Inhibitor of the Calcium Carbonate Deposits","authors":"Alexandra Vihireva, Konstantin Shirshin, Olga Vdovina, Alexandr Chicharov","doi":"10.1002/slct.202501607","DOIUrl":"https://doi.org/10.1002/slct.202501607","url":null,"abstract":"<p>Polyacrylic acid (PAA) and copolymer of acrylic and maleic acid (P(AA-co-MA)) are synthesized to study the inhibition efficiency by radical polymerization. The inhibition efficiency of calcium carbonate deposits is determined by titrimetric method. Homopolymer of acrylic acid shows the best efficiency. The inhibitory ability of PAA of certain molecular weight (MW) is studied. The highest inhibition efficiency of calcium carbonate deposits is observed for PAA with M<sub>w</sub> around 2000. The influence of the nature of links of the chain growth regulator on the inhibitory ability of PAA is also established. It is noted the presence of sulfite functional group in the polymer chain contributes to better inhibitory ability.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503188","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}
ChemistrySelectPub Date : 2025-06-27DOI: 10.1002/slct.202501205
Li Xu, Xingdong Zhu, Qiong Zhang, Xinyan Zhang, Xin Zhang
{"title":"Effective Selective Catalytic Reduction of NOx with NH3 over MnCeOx/Cu-SSZ-39 Composite Catalyst: Improved Low Temperature Activity and Hydrothermal Stability","authors":"Li Xu, Xingdong Zhu, Qiong Zhang, Xinyan Zhang, Xin Zhang","doi":"10.1002/slct.202501205","DOIUrl":"https://doi.org/10.1002/slct.202501205","url":null,"abstract":"<p>In this study, a composite catalyst, MnCeO<sub>x</sub>/Cu-SSZ-39, was synthesized by coupling MnCeO<sub>x</sub> with Cu-SSZ-39 zeolite and evaluated for NH<sub>3</sub>-SCR (selective catalytic reduction by NH<sub>3</sub>) performance. The incorporation of MnCeO<sub>x</sub> significantly enhanced the low-temperature SCR activity of Cu-SSZ-39 and broadened its operating temperature window. This improvement was attributed to the increased surface chemisorbed oxygen with high mobility, which facilitated NO oxidation to NO<sub>2</sub>, thereby promoting the fast SCR pathway and enhancing low-temperature activity. Furthermore, the hybrid catalyst exhibited higher concentrations of isolated Cu<sup>2</sup>⁺ and Ce<sup>3+</sup>/Mn<sup>4+</sup> species, improving redox capacity and surface acidity, both critical for low-temperature SCR reactions. Notably, MnCeO<sub>x</sub>/Cu-SSZ-39 demonstrated superior hydrothermal stability compared to pure Cu-SSZ-39, maintaining higher SCR activity after aging. Mechanistic studies revealed a strong metal oxide-zeolite interaction, where MnCeO<sub>x</sub> stabilized the zeolite framework, suppressed dealumination, and prevented Cu species aggregation during hydrothermal aging. These findings provide a promising strategy for designing Cu-SSZ-39 catalysts with excellent low-temperature activity, broad-temperature performance, and enhanced hydrothermal stability.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 25","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503099","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}