ChemistrySelect最新文献

{"title":"Low Pass Filter Based Lithium-ion Battery Equivalent Circuit Model With High Accuracy","authors":"Shaogui Fan,&nbsp;Zelu Shao,&nbsp;Ding Wen,&nbsp;Yuxin Zhang,&nbsp;Wencong Wang,&nbsp;Congcong Yu,&nbsp;Yaning Wang","doi":"10.1002/slct.202402844","DOIUrl":"https://doi.org/10.1002/slct.202402844","url":null,"abstract":"<p>The equivalent circuit model (ECM) of lithium batteries provides a simplified way to describe their output behaviors. In this paper, a low pass filter-based ECM of lithium battery is proposed with high accuracy. A voltage source is employed to represent the capability of the lithium battery to store energy chemically, a RC branch paralleled with the voltage source represents the charge transfer process. This RC branch acts as a low pass filter, and the capacitance buffers the charges during charging or discharging process, and this explains the dynamic voltage recovery process. However, with the traditional RC branches-based ECM, the dynamic voltage is realized by the resistance in parallel with the capacitor, which discharges the capacitor and the RC branch is series-connected with the voltage source. The proposed ECM is compared with the 1-RC Thevenin model, which has the same number of model parameters with the proposed model. The parameters are obtained by the hybrid pulse power characterization (HPPC) test. The output voltage accuracy of the 1-RC Thevenin model and the proposed model with LFP battery and NCM battery is verified with different test conditions. The experimental results show that the proposed ECM has higher accuracy, this validates the correctness of the proposed model.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868478","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":"Eco-Friendly Synthesis of Cobalt Oxide Nanoparticles Using Gum Arabic Polymer: Examining Their Photocatalytic Efficiency and Cytotoxicity","authors":"Ali Mohandes,&nbsp;Mahmoud Reza Aghamaali,&nbsp;Zahra Sabouri,&nbsp;Majid Darroudi","doi":"10.1002/slct.202400558","DOIUrl":"https://doi.org/10.1002/slct.202400558","url":null,"abstract":"<p>In this paper, cobalt oxide nanoparticles (Co₃O₄ nanoparticles) were fabricated via a sol–gel method utilizing gum arabic polymer as a nontoxic reducing agent. To explore the characterization of the Co₃O₄ nanoparticles, different analyses were conducted. XRD outcome emphasized that the particle size of Co₃O₄ nanoparticles was between 36 nm and 42 nm, while the FESEM images showed that the Co₃O₄ nanoparticles were agglomerated due to their small size and spherical shape. Following these suitable characterization outcomes, the photocatalytic activity of Co₃O₄ nanoparticles was done on organic dye methylene blue (MB) decolorization under UVA light, and the outcomes were indicative of 92% degradation after 140 min. Over and above that, the cytotoxicity effects of Co₃O₄ nanoparticles were examined against the noncancer cells (L929) and HepG2 cells via MTT assay, and the IC₅₀ amount for cancer cells was around 475 µg/mL.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868477","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":"Continuous-Flow Photochemistry: The Synthesis of Marketed Pharmaceutical Compounds","authors":"Vishal Srivastava,&nbsp;Praveen P. Singh,&nbsp;Surabhi Sinha,&nbsp;Pravin K. Singh,&nbsp;Deepak Kumar","doi":"10.1002/slct.202405020","DOIUrl":"https://doi.org/10.1002/slct.202405020","url":null,"abstract":"<p>Chemistry professionals from all kinds of fields and disciplines in the academic and commercial sectors have recently shown a great deal of interest in continuous-flow chemistry. Flow methods are used nowadays for rapid optimization and assessment, as well as for production and scale-up, reaction discovery, and methodology. Photochemical processes are currently receiving a lot of attention from the scientific community, and the application of flow methods for these approaches has shown the advantages of flow chemistry and its importance in modern chemistry and industry worldwide. This study illustrates the most recent advancements and benefits of continuous flow photochemical reactions in relation to the synthesis of active pharmaceutical compounds and recommended frameworks.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868472","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":"Synthesis of Fused 1,2,3-Triazoles of Benzimidazole Using Copper (I) Catalysis; in Vitro and in Silico Studies","authors":"Saidi Reddy Modugu,&nbsp;Dr. Satheesh Kumar Nukala,&nbsp;Dr. Gouthami Dasari,&nbsp;Dr. Karthik Bokkala,&nbsp;Dr. Bandari Srinivas","doi":"10.1002/slct.202404527","DOIUrl":"https://doi.org/10.1002/slct.202404527","url":null,"abstract":"<p>In this study, we described the synthesis of some new benzimidazole-1,2,3-triazole hybrids (<b>4a–n</b>) using well-known copper-catalyzed CuAAC and C─H arylation cascade reactions. We validated the structures of all compounds by using ¹H NMR, ¹³C NMR, and mass spectrometry. In vitro assessment of anticancer efficacy against breast cancer cells, such as MCF-7 and MDA-MB-468, demonstrated that compounds <b>4d</b>, <b>4e</b>, and <b>4f</b> had superior activity comparable to the standard drug Erlotinib. Furthermore, compounds <b>4d</b>, <b>4e</b>, and <b>4f</b> have the highest inhibitory efficacy against the tyrosine kinase EGFR, relative to the reference drug Erlotinib. Molecular docking investigations of the effective compounds <b>4d</b>, <b>4e</b>, <b>4f</b>, and <b>4n</b> with EGFR showed a greater affinity for the target protein. Furthermore, the in silico pharmacokinetic profile of the potent compounds <b>4d</b>, <b>4e</b>, <b>4f</b>, and <b>4n</b> was determined by using SWISS/ADME and pkCSM, and all the four compounds obeyed Lipinski, Ghose, Veber, Egan, and Muegge guidelines without any variation.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868469","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":"Removal of Methyl Green by CuO/COF Photocatalysts with Enhanced Adsorption and Photocatalytic Activity","authors":"Aijuan Wang,&nbsp;Xiaping Chen,&nbsp;Hanmin Tang,&nbsp;Fei Huang,&nbsp;Dr. Dongmei Yao","doi":"10.1002/slct.202404454","DOIUrl":"https://doi.org/10.1002/slct.202404454","url":null,"abstract":"<p>In this paper, copper oxide/covalent organic framework (CuO/COF) composites were prepared and investigated the photocatalytic performances for the removal of dyes. The characterization results of FTIR, XRD, and XPS, all proved that the CuO/COF composite were successfully prepared. The mapping of CuO/COF showed that the Cu element was uniformly distributed in the COF. After CuO was composited with COF, the energy band gap <i>E</i>_g decreased from 1.14 eV to 0.81 eV. The highest photocatalytic degradation rate of the CuO/COF composite was 94.00%. At the same time, the photocatalytic wavelength could be shifted from 254 nm to 356 nm. The enhancement of the photocatalytic activity of the CuO/COF composite was attributed to the increase in carrier transfer rate and the increase in the active sites. These results show that the CuO/COF photocatalyst has a strong potential for removing organic dyes under light of 254–356 nm, which also provides a certain reference value for the development of photocatalytic materials.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868468","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":"Nickel (II) and Copper (II) Schiff Base Derivatives: Design, Characterization, Biological Activity","authors":"Prof. Hany M. Abd El-Lateef,&nbsp;Prof. Mai M. Khalaf,&nbsp;Prof. Mohamed Gouda,&nbsp;Mr. Mohammed N. Almarri,&nbsp;Prof. Antar A. Abdelhamid,&nbsp;Prof. Saleh Al-Ghamdi,&nbsp;Prof. Amer A. Amer,&nbsp;Dr. Aly Abdou","doi":"10.1002/slct.202403970","DOIUrl":"https://doi.org/10.1002/slct.202403970","url":null,"abstract":"<p>This work presents the designing and characterization of two novel metal complexes derived from a Schiff base, <i>N</i>,<i>N</i>’-ethane-1,2-diylbis[1-(2-chloroquinolin-3-yl)methanimine] (EBCQ), coordinated with Ni (II) (NiEBCQ), and Cu (II) (CuEBCQ). Structures of the metal complex derivatives were proposed utilizing a variety of analytical methods having elemental analysis, ultraviolet-visible spectroscopy, mass spectroscopy, infrared spectroscopy, magnetic properties, conductivity measurement, and thermal analysis. The obtained data revealed octahedral geometries for both NiEBCQ and CuEBCQ complexes, denoted as [Ni(EBCQ)(H₂O)₂(Cl)₂] and [Cu(EBCQ)(H₂O)₂(Cl)₂], respectively. Density functional theory computations were employed for confirming the molecular structures and exploring quantum chemical parameters of both EBCQ and its metal complex derivatives. The anti-inflammatory results reveal that the EBCQ ligand and its metal complexes, NiEBCQ, and CuEBCQ, exhibit varying degrees of inhibition, with CuEBCQ showing the highest potency. CuEBCQ achieved 89.80% inhibition at 300 µM, with an <i>IC</i>₅₀ value of 86.38 µM, indicating its superior anti-inflammatory activity compared to NiEBCQ (<i>IC</i>₅₀ of 92.33 µM) and the ligand EBCQ (<i>IC</i>₅₀ of 169.07 µM). In the antioxidant assays, the CuEBCQ complex again showed the most pronounced activity, achieving an <i>IC</i>₅₀ of 74.16 µM, outperforming both NiEBCQ (<i>IC</i>₅₀ of 89.06 µM) and the EBCQ ligand (<i>IC</i>₅₀ of 101.58 µM). The antibacterial tests confirmed the metal complexes' superiority, particularly CuEBCQ, which displayed excellent inhibition against <i>Bacillus cereus</i> compared to the ligand. Molecular docking studies targeting specific proteins (5IKT for human cyclo-oxygenase-2, and 5IJT for human peroxiredoxin 2) were performed to assess the binding affinities and interactions of EBCQ and its metal complex derivatives. The results propose promising potential for the application of EBCQ and its metal complexes as novel therapeutic agents with diverse biological activities. Finally, antibacterial effectiveness of the ligand and its complexes were monitored opposed to several Gram-positive and Gram-negative bacteria.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868470","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":"A Sustainable Nanoporous Adsorbent for Reducing Amoxicillin in Pharmaceutical Wastewater: Magnetic Tea Waste Hydrochar","authors":"Mohammad Hassan Shahavi,&nbsp;Mohammad Akbari,&nbsp;Nadir Ayrilmis,&nbsp;Ali Dorieh","doi":"10.1002/slct.202404915","DOIUrl":"https://doi.org/10.1002/slct.202404915","url":null,"abstract":"<p>In this research, a sustainable approach to augmenting nanoporous and high-capacity adsorbents widely employed in amoxicillin (AMX) removal from pharmaceutical wastewater was introduced in this study. Iron oxide particles were incorporated into tea factory waste material under microwave hydrothermal carbonization, aiming to produce a green and enhanced magnetic adsorbent material. The chemical structure, morphology, and surface charge of the magnetic tea waste hydrochar (MTWHC) were characterized. The results show that the synthesized nanoporous magnetic tea waste hydrochar has an average pore diameter of 1.90 nm. The value of the SBET was measured at about 30.22 cm²/g for the MTWHC. Furthermore, the adsorbent showed a remarkable maximum removal efficiency of 93.8%, highlighting its significant potential for implementation in wastewater treatment. The Freundlich isotherm was a good fit to the experimental data, indicating that the multilayer adsorption mechanism is responsible for its compatibility and an adsorption capacity of 3.2047 mg/g was measured using this method. This approach not only introduces an environmentally friendly modification to a widely used material but also highlights the potential of magnetic tea waste hydrochar as an innovative additive in composite matrices. This research is an important contribution to the ongoing development of advanced, sustainable composites with a lower environmental impact.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868471","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":"Fabrication of Porous Silica-ruthenium Oxide Composite Catalysts for Hydrogenation of Carbon Dioxide Into Formic Acid","authors":"Prof. Tetsuo Umegaki,&nbsp;Kei Sato,&nbsp;Kenjiro Saeki,&nbsp;Prof. Yoshiyuki Kojima","doi":"10.1002/slct.202402465","DOIUrl":"https://doi.org/10.1002/slct.202402465","url":null,"abstract":"<p>Porous silica–ruthenium oxide composite catalysts were prepared with sol–gel-based method using a cationic surfactant, cethyltrimethylammonium bromide (CTAB), as templates to form well-ordered nanopores in the catalyst particles. The previously reported heterogeneous catalysts for hydrogenation of carbon dioxide into formic acid generally worked as metallic state, while the catalyst in the present study worked without reduction procedure for the catalyst activation to obtain the metallic states of the active ruthenium species. The textural properties of the catalysts in this work were affected by various pretreatment procedures, and washing and calcination pretreatments were identified as effective procedures to remove the surfactant micelle templates with 2–4 times higher specific surface area and pore volumes. The catalytic activity also improved with the pretreatments, and the catalyst with washing followed by calcination showed nearly three times higher activity than the catalyst without any pretreatments. The crystalline size of the active ruthenium species and the catalytic performance of porous silica–ruthenium oxide composite catalyst was influenced by amount of TEOS, the catalyst including small RuO₂ crystalline phase was obtained with high amount of TEOS and exhibited high activity for hydrogenation of carbon dioxide into formic acid with comparative TON to previously reported metallic ruthenium-based catalysts.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868686","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":"Design and Synthesis of Isatin-1,2,3-triazole Hybrids as Anticancer Agents","authors":"Bhavika Mohite,&nbsp;Bhadreshkumar K. Chabhadiya,&nbsp;Khushal M. Kapadiya,&nbsp;Vijay M. Khedkar,&nbsp;Smita Jauhari","doi":"10.1002/slct.202404601","DOIUrl":"https://doi.org/10.1002/slct.202404601","url":null,"abstract":"<p>Isatin, a chemically defined indole-1<i>H</i>-2,3-dione, is widely considered a desirable therapeutic fragment in the field of drug discovery. Similarly, the 1,2,3-triazole ring is a major pharmacophore system among nitrogen containing heterocycles. Molecular hybrids comprising isatin and acyl azides functions linked by triazole rings were synthesized and tested for cytotoxic effects against sixty human cancer cell lines due to the drug resistance with most of the currently utilized anticancer medicines. The 1,2,3-triazole-isatin hybrids <b>(8a–8j)</b> were produced in high yields and with exceptional purity via Huisgen's 1,3-dipolar cycloaddition involving acyl azide, <b>7a–7j</b>, and an Isatin-based <i>N</i>-alkyne <b>3</b> in the presence of water as the principal solvent and <i>n</i>-Bu-OH and DMF as cosolvents. compounds <b>8c</b>, <b>8g</b>, and <b>8h</b>showed highly effective growth inhibition against breast, leukemia, and melanoma cell lines, with mortality ranging from 6% to 99% and PGI = &gt;70% in the majority of instances. While <b>8a</b> and <b>8b</b> showed weak to moderate action against all the tested cancer cell line and few compounds <b>8d</b>, <b>8f</b>, <b>8i,</b> and <b>8j</b> shows low activity. A molecular docking study against cyclin-dependent kinase (CDK2) could provide insights into the mechanistic basis of antitumor activity.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868582","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":"Boosting Carrier Mobility in Novel Naphthodithiophene Diimide (NDTI)-Based Triad Through π-Conjugation Expansion","authors":"Huijuan Ran,&nbsp;Kun Kang,&nbsp;Tongyi Wang,&nbsp;Jing Yao Wang,&nbsp;Xue Tang,&nbsp;Jian-Yong Hu","doi":"10.1002/slct.202405113","DOIUrl":"https://doi.org/10.1002/slct.202405113","url":null,"abstract":"<p>Enhancing the length of π-conjugation in molecules represents an efficient strategy for fine-tuning the optoelectronic characteristics of organic semiconductors. Nevertheless, this approach is infrequently conducted for small molecules with n-type properties. Herein, we report the design and synthesis of a novel naphthodithiophene diimide (NDTI)-based small-molecule semiconductor, <b>NDTI-BBTE</b>, featuring a long benzo[b]thiophen-2-ylethynyl (BTE) end cap. <b>NDTI-BBTE</b> exhibits good solubility in some common organic solvents and a LUMO energy level of −4.15 eV, promoting stable electron transport in ambient conditions. Compared to our previously reported <b>NDTI-BET</b> with a thiophenylethynyl end cap, <b>NDTI-BBTE</b> shows improved device performance, achieving a maximum electron mobility of 0.052 cm² V⁻¹ s⁻¹ under identical conditions. The XRD and AFM measurements reveal that <b>NDTI-BBTE</b> has lower <i>d</i>-spacing and higher crystallinity than <b>NDTI-BTE</b>. These results demonstrate that increasing π-conjugation length of the molecules is a simple and effective strategy for designing solution-processable, air-stable n-type organic semiconductors for printed electronics.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 47","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868581","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}