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Cleome arabica L. extract as a novel green corrosion inhibitor for AISI 1045 carbon steel in 0.5 M HCl: insights from experimental and theoretical DFT analyses 在 0.5 M HCl 溶液中作为 AISI 1045 碳钢新型绿色缓蚀剂的阿拉伯艳紫铆提取物:实验和理论 DFT 分析的启示。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-14 DOI: 10.1039/D4RA06477A
Imane Ait Bouabdallah, Fatima Adjal, Aida Zaabar, Abdelkader Benchikh, Djamila Guerniche, Chafia Ait Ramdane-Terbouche, Ana P. Piedade, Mahmoud Z. Ibrahim, Noureddine Nasrallah and Abderrezak Abdi

The search for sustainable, cost-effective and environmentally friendly corrosion inhibitors for hydrochloric acid (HCl) solution in industrial applications has garnered increasing interest in plant extracts and their refined metabolites. In this research, Cleome arabica L. (CA) extract, found in the Algerian Sahara, was considered due to its low cost compared to other studied plants and higher content of active compounds, thereby emerging as a promising candidate and offering the potential to promote a circular economy model. This study assessed the effectiveness of CA extract as a green corrosion inhibitor for AISI 1045 carbon steel in 0.5 M HCl solution and highlighted its potential to advance the field of green corrosion inhibitors. ATR-FTIR and LC-ESI-MS/MS analyses revealed the presence of significant organic compounds, including coumaric acid (74.58%), 4-methoxybenzoic acid (12.53%), and kaempferol (8.05%), which contributed to the corrosion inhibition. The inhibitory effectiveness of the CA extract was evaluated at five concentrations, ranging from 0.125 to 1 g L−1, using weight loss measurements, potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). The highest inhibition efficiency (η = 94.45%) was observed at a CA extract concentration of 1 g L−1 after 196 hours of immersion in 0.5 M HCl. Thermodynamic analysis using the Langmuir adsorption isotherm yielded a ΔGads value of −24.737 kJ mol−1, indicating the spontaneous adsorption of CA molecules onto the AISI 1045 surfaces, forming a protective layer, which was confirmed by SEM/EDX analysis. Density functional theory (DFT) calculations showed a significant correlation with the experimental data, confirming that CA extract is a highly efficient and environmentally friendly corrosion inhibitor.

为工业应用中的盐酸(HCl)溶液寻找可持续、具有成本效益且环保的缓蚀剂,人们对植物提取物及其精制代谢物的兴趣与日俱增。在这项研究中,阿尔及利亚撒哈拉沙漠中发现的 Cleome arabica L. (CA) 提取物因其与其他研究植物相比成本较低且活性化合物含量较高而被考虑,从而成为一种有前途的候选物质,并为促进循环经济模式提供了潜力。本研究评估了 CA 提取物在 0.5 M HCl 溶液中作为 AISI 1045 碳钢绿色缓蚀剂的有效性,并强调了其在推动绿色缓蚀剂领域发展方面的潜力。ATR-FTIR和LC-ESI-MS/MS分析表明,CA萃取物中含有大量有机化合物,包括香豆酸(74.58%)、4-甲氧基苯甲酸(12.53%)和山柰酚(8.05%),这些化合物对缓蚀起了重要作用。利用失重测量、电位极化(PDP)和电化学阻抗光谱(EIS)评估了五种浓度(0.125 至 1 g L-1)下 CA 提取物的缓蚀效果。在 0.5 M HCl 中浸泡 196 小时后,CA 提取物浓度为 1 g L-1 时的抑制效率最高(η = 94.45%)。使用朗缪尔吸附等温线进行热力学分析得出的 ΔG ads 值为 -24.737 kJ mol-1,表明 AISI 1045 表面自发吸附了 CA 分子,形成了一层保护层,这一点也得到了 SEM/EDX 分析的证实。密度泛函理论(DFT)计算结果与实验数据有显著的相关性,证实了 CA 提取物是一种高效、环保的缓蚀剂。
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引用次数: 0
Bioactive secondary metabolites from fungal endophytes, Penicillium oxalicum and Phoma herbarum, associated with Morus nigra and Ficus sycomorus: an in silico study† 与黑桑树和西洋榕相关的真菌内生菌草青霉和草青霉的生物活性次生代谢物:一项硅学研究。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-14 DOI: 10.1039/D4RA06840H
Mohamed M. M. AbdelRazek, Ahmed M. Elissawy, Nada M. Mostafa, Ashaimaa Y. Moussa, Mohamed A. Elshanawany and Abdel Nasser B. Singab

Two pure fungal strains were isolated and identified from Ficus sycomorus and Morus nigra, namely, Penicillium oxalicum (OR673586) and Phoma herbarum (OR673589), respectively. The extract and fractions of secondary metabolites of each fungus were evaluated for antioxidant, anti-inflammatory, antimicrobial, antibiofilm, antidiabetic, and cytotoxic activities. The chloroform fraction of P. oxalicum showed potent cytotoxic activity (IC50 = 7.695 μg mL−1) against Hep-G2 cell line, alongside moderate antioxidant and anti-inflammatory activities. On the other hand, the P. herbarum chloroform fraction showed potent antioxidant (DPPH IC50 = 5.649 μg mL−1) and antidiabetic activities (IC50 = 14.91 μg mL−1) against inhibition of α-glucosidase, in addition to moderate cytotoxicity, anti-inflammatory, and antimicrobial activities. Guided cytotoxic fractionation leads to identifying bioactive compounds using hyphenated techniques. LC-MS identified fourteen compounds for P. herbarum and thirteen compounds for P. oxalicum. Three known compounds, mevalolactone (1), glycerol monolinoleate (3), and ergosterol (7) in addition to one new compound, barcelonyl acetate (2), were isolated from P. herbarum. On the other hand, four known compounds, 4-hydroxyphenyl acetic acid (4), secalonic acid D (5), altersolanol A (6), and ergosterol (7), were isolated from P. oxalicum. Altersolanol A (6) and secalonic acid D (7) exhibited outstanding cytotoxic activity against Hep-G2 and Caco-2 cell lines, with IC50 values ranging from 0.00038 to 0.208 μM. In silico study findings showed altersolanol A (6), 4-hydroxyphenyl acetic acid (4), glycerol monolinoleate (3), and barcelonyl acetate (2) displayed significant potential but may benefit from further optimization as lead for developing potent c-Jun N-terminal kinase 2 (JNK2, PDB: 3NPC) inhibitors, potentially leading to novel therapeutic strategies targeting cancer therapy.

从榕树和黑桑树中分离并鉴定出两种纯真菌菌株,分别是青霉(Penicillium oxalicum,OR673586)和Phoma herbarum(OR673589)。对每种真菌的提取物和次生代谢物馏分进行了抗氧化、抗炎、抗微生物、抗生物膜、抗糖尿病和细胞毒性活性评价。草履虫的氯仿馏分对 Hep-G2 细胞系具有很强的细胞毒性活性(IC50 = 7.695 μg mL-1),同时还具有适度的抗氧化和抗炎活性。另一方面,P. herbarum 氯仿馏分显示出强大的抗氧化活性(DPPH IC50 = 5.649 μg mL-1)和抑制α-葡萄糖苷酶的抗糖尿病活性(IC50 = 14.91 μg mL-1),以及中等程度的细胞毒性、抗炎和抗菌活性。在细胞毒性分馏的指导下,使用连用技术鉴定生物活性化合物。LC-MS 鉴别出了十四种 P. herbarum 的化合物和十三种 P. oxalicum 的化合物。从草履虫中分离出三种已知化合物:甲羟戊酸内酯(1)、甘油单油酸酯(3)和麦角甾醇(7),以及一种新化合物:乙酸巴塞龙酯(2)。另一方面,从草履虫中分离出了四种已知化合物,即 4-羟基苯乙酸(4)、仲醛酸 D(5)、altersolanol A(6)和麦角甾醇(7)。土荆皮醇 A(6)和仲醛酸 D(7)对 Hep-G2 和 Caco-2 细胞株具有突出的细胞毒性活性,IC50 值在 0.00038 到 0.208 μM 之间。硅学研究结果表明,altersolanol A (6)、4-羟基苯乙酸 (4)、甘油单油酸酯 (3) 和巴塞龙乙酸酯 (2) 显示出巨大的潜力,但作为开发强效 c-Jun N 端激酶 2(JNK2,PDB:3NPC)抑制剂的先导物,可能还需要进一步优化,从而有可能开发出针对癌症治疗的新型治疗策略。
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引用次数: 0
Single step eco-efficient mild chemical process for the total valorisation of rice husk: a focus on the inorganics as a cement additive† 稻壳全价值化的单步生态高效温和化学工艺:重点关注作为水泥添加剂的无机物†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA05263C
Eleonora Conterosito, Geo Paul, Valentina Toson, Valentina Gianotti, Marco Milanesio, Daniela Gastaldi and Enrico Boccaleri

The rice husk biomass remaining from the industrial processing of rice constitutes approximately 25 wt% of the edible rice produced, and its disposal is challenging due to its high silica content. Here, we describe the optimization of a single step innovative chemical process for the conversion of rice husk-based biomass into useable products which tackles all fractions of the input biomass. The chemical process consists of a single step hydrothermal low temperature treatment of rice husk biomass leading to three easy-to-recover fractions. With appropriate chemical treatments, each of these fractions can serve specific applications effectively, overcoming the issues present in the original biomass. This paper will present the treatment method and the optimization of chemical conditions for ideal fractionation as well as include the characterization of the recovered materials. Additionally, the paper will explore the use of one of these materials—the inorganic precipitate fraction (P), which is rich in calcium silicate hydrate (C–S–H) phase—as an additive to promote C–S–H nucleation in cementitious materials. The process also yields a liquid fraction (S) rich in sugars and soluble inorganic species, and a fibrous fraction (HR) containing lignin and cellulose residues. All these components were characterized to assess their suitability for potential applications. A detailed study on the application of these materials in the fields of plant biology and polymer science will be presented in (a) subsequent publication(s). The three fractions were characterized by a multi-technique approach involving PXRD, XRF, TGA/DSC, Electron microscopy and NMR. The above chemical process can be extended to any straw and husk-based cereal crops (wheat or barley), broadening and strengthening the bio-based industries and improving the circularity of food-related byproducts.

稻米工业加工过程中残留的稻壳生物质约占食用稻米产量的 25%,由于其二氧化硅含量较高,其处理具有挑战性。在此,我们介绍了将稻壳类生物质转化为可用产品的单步创新化学工艺的优化,该工艺可处理输入生物质的所有组分。该化学工艺包括对稻壳生物质进行一步水热低温处理,从而产生三种易于回收的馏分。通过适当的化学处理,每种馏分都能有效地用于特定用途,克服原始生物质中存在的问题。本文将介绍理想分馏的处理方法和化学条件的优化,以及回收材料的特征。此外,本文还将探讨如何使用其中一种材料--富含硅酸钙水合物(C-S-H)相的无机沉淀部分(P)--作为添加剂,促进水泥基材料中的 C-S-H 成核。该工艺还产生了富含糖和可溶性无机物的液体部分(S),以及含有木质素和纤维素残留物的纤维部分(HR)。对所有这些成分进行了表征,以评估它们是否适合潜在应用。关于这些材料在植物生物学和聚合物科学领域应用的详细研究将在随后的出版物中介绍。对这三种馏分的表征采用了涉及 PXRD、XRF、TGA/DSC、电子显微镜和 NMR 的多技术方法。上述化学工艺可扩展至任何以秸秆和谷壳为基础的谷类作物(小麦或大麦),从而拓宽和加强生物基工业,并改善与食品相关的副产品的循环性。
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引用次数: 0
Synthesis of vanillin via oxidation of kenaf stalks in the presence of CeO2: tuning the catalytic behaviour of CeO2via nanostructure morphology† 在 CeO2 存在下通过氧化咖啡秆合成香兰素:通过纳米结构形态调整 CeO2 的催化性能†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA05833J
Anita Ramli, Nur Akila Syakida Idayu Khairul Anuar, Normawati Mohamad Yunus and Alina Rahayu Mohamed

Different CeO2 nanostructures were synthesized using a hydrothermal method and treated with alkaline NaOH, followed by drying at 120 °C for 16 h and calcined at 400 °C for the direct oxidation of kenaf stalks to vanillin under microwave irradiation. The catalysts were characterized for their physicochemical properties using XRD, BET, Raman spectroscopy, TPR, TPO, and XPS. All synthesized CeO2 nanostructures show diffraction peaks corresponding to the formation of cubic fluorite, which agrees with Raman spectra of the F2g mode. The N2 adsorption–desorption isotherms showed that all catalysts possess a type IV isotherm, indicating a mesoporous structure. TPR and TPO analyses display formation peaks corresponding to surface-to-bulk reducibility and the oxidized oxygen ratio, which is responsible for the redox properties of ceria nanostructures. The XPS analysis of CeO2 nanostructures proved that Ce exists in the Ce3+ and Ce4+ oxidation states. All catalysts were tested for direct oxidation of kenaf stalks under microwave irradiation with the highest vanillin yield obtained by the CeO2-Nps-400 heterogeneous catalyst at 3.84%, whereas 4.66% vanillin was produced using 2 N NaOH as a homogeneous catalyst.

采用水热法合成了不同的 CeO2 纳米结构,并用碱性 NaOH 进行了处理,然后在 120 °C 下干燥 16 小时,并在 400 °C 下煅烧,用于在微波辐照下直接氧化剑麻茎秆生成香兰素。利用 XRD、BET、拉曼光谱、TPR、TPO 和 XPS 对催化剂的理化性质进行了表征。所有合成的 CeO2 纳米结构都显示出与立方萤石形成相对应的衍射峰,这与 F2g 模式的拉曼光谱一致。N2 吸附-解吸等温线显示,所有催化剂都具有 IV 型等温线,表明催化剂具有介孔结构。TPR 和 TPO 分析显示了与表面与大块的还原性和氧化氧比相对应的形成峰,这就是铈纳米结构的氧化还原特性。CeO2 纳米结构的 XPS 分析证明,铈存在于 Ce3+ 和 Ce4+ 氧化态。对所有催化剂进行了微波辐照下直接氧化剑麻茎的测试,CeO2-Nps-400 异构催化剂的香兰素产量最高,为 3.84%,而使用 2 N NaOH 作为均相催化剂生产的香兰素产量为 4.66%。
{"title":"Synthesis of vanillin via oxidation of kenaf stalks in the presence of CeO2: tuning the catalytic behaviour of CeO2via nanostructure morphology†","authors":"Anita Ramli, Nur Akila Syakida Idayu Khairul Anuar, Normawati Mohamad Yunus and Alina Rahayu Mohamed","doi":"10.1039/D4RA05833J","DOIUrl":"https://doi.org/10.1039/D4RA05833J","url":null,"abstract":"<p >Different CeO<small><sub>2</sub></small> nanostructures were synthesized using a hydrothermal method and treated with alkaline NaOH, followed by drying at 120 °C for 16 h and calcined at 400 °C for the direct oxidation of kenaf stalks to vanillin under microwave irradiation. The catalysts were characterized for their physicochemical properties using XRD, BET, Raman spectroscopy, TPR, TPO, and XPS. All synthesized CeO<small><sub>2</sub></small> nanostructures show diffraction peaks corresponding to the formation of cubic fluorite, which agrees with Raman spectra of the F<small><sub>2g</sub></small> mode. The N<small><sub>2</sub></small> adsorption–desorption isotherms showed that all catalysts possess a type IV isotherm, indicating a mesoporous structure. TPR and TPO analyses display formation peaks corresponding to surface-to-bulk reducibility and the oxidized oxygen ratio, which is responsible for the redox properties of ceria nanostructures. The XPS analysis of CeO<small><sub>2</sub></small> nanostructures proved that Ce exists in the Ce<small><sup>3+</sup></small> and Ce<small><sup>4+</sup></small> oxidation states. All catalysts were tested for direct oxidation of kenaf stalks under microwave irradiation with the highest vanillin yield obtained by the CeO<small><sub>2</sub></small>-Nps-400 heterogeneous catalyst at 3.84%, whereas 4.66% vanillin was produced using 2 N NaOH as a homogeneous catalyst.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36327-36339"},"PeriodicalIF":3.9,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05833j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A biocompatible cellulose gum based CMC/PVA/SBA-15 film as a colloidal antibacterial agent against MRSA† 一种基于纤维素胶的 CMC/PVA/SBA-15 生物相容性薄膜,可作为抗 MRSA 的胶体抗菌剂。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA07129H
Shiva Pakzad, Reza Taghavi, Amir Hasanzadeh and Sadegh Rostamnia

The development of biocompatible antibacterial films plays a crucial role in the fight against antibiotic-resistant bacteria strains. Here, we developed an SBA-15–NH2 decorated biocompatible CMC/PVA film containing Ag NPs as an antibacterial material against Gram-positive and Gram-negative bacteria strains. The structure of the manufactured film was studied by XRD, SEM, mapping, and TGA analysis showing its formation and firm structure. The prepared film has a flexible structure which makes it suitable for a variety of bio-related applications. The CMC/PVA/SBA-15–NH2@AgNPs film was used as a bactericidal agent against pathogens (especially MRSA; methicillin-resistant Staphylococcus aureus) isolated from surgical site infections, showing promising results.

生物相容性抗菌薄膜的开发在对抗抗生素耐药菌株方面发挥着至关重要的作用。在此,我们开发了一种含有 Ag NPs 的 SBA-15-NH2 装饰生物相容性 CMC/PVA 薄膜,作为抗革兰氏阳性和革兰氏阴性菌株的抗菌材料。通过 XRD、SEM、制图和 TGA 分析研究了所制备薄膜的结构,结果表明其形成了牢固的结构。制备的薄膜具有柔性结构,因此适用于各种生物相关应用。CMC/PVA/SBA-15-NH2@AgNPs 薄膜被用作一种杀菌剂,用于对抗从手术部位感染中分离出来的病原体(尤其是 MRSA;耐甲氧西林金黄色葡萄球菌),结果令人满意。
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引用次数: 0
Synthesis of MOF-supported Pt catalyst with high electrochemical oxidation activity for methanol oxidation† 合成具有高电化学氧化活性的 MOF 支持铂催化剂,用于甲醇氧化。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA06393G
Merve Akin, Hatice Kars, Muhammed Bekmezci, Aysenur Aygun, Mert Gul, Guray Kaya and Fatih Sen

Fuel cells, one of the clean energy sources, is quite remarkable for energy production. In this context, catalysts are needed for the electrochemical reactions of DMFCs (direct methanol fuel cells) to work efficiently. In this study, Pt and Pt@Ti-MOF (Pt@MIL-125) NPs (nanoparticles) catalysts were synthesized by chemical synthesis. The Ti-MOF (MIL-125) structure was synthesized using the solvothermal method, and the effect of Ti-MOF on methanol oxidation was investigated. The results showed that Pt@Ti-MOF NPs provided 9.45 times more electrocatalytic activity for methanol oxidation compared to Pt NPs. In addition, Ti-MOF doping was shown to increase the stability and durability by long-term tests. The study provides important results on how MOF-supported structures behave electrochemically. The results show that Ti-MOF provides very high potential in MOR applications and is promising for use as an anode catalyst in DMFC systems.

燃料电池是清洁能源之一,在能源生产方面具有显著优势。在这种情况下,DMFCs(直接甲醇燃料电池)的电化学反应需要催化剂才能有效进行。本研究采用化学合成法合成了铂和铂@钛-MOF(Pt@MIL-125)纳米粒子催化剂。采用溶热法合成了 Ti-MOF (MIL-125) 结构,并研究了 Ti-MOF 对甲醇氧化的影响。结果表明,Pt@Ti-MOF NPs 的甲醇氧化电催化活性是 Pt NPs 的 9.45 倍。此外,通过长期测试表明,Ti-MOF 的掺杂提高了其稳定性和耐久性。这项研究为了解 MOF 支持结构的电化学行为提供了重要结果。研究结果表明,Ti-MOF 在 MOR 应用中具有非常大的潜力,有望用作 DMFC 系统中的阳极催化剂。
{"title":"Synthesis of MOF-supported Pt catalyst with high electrochemical oxidation activity for methanol oxidation†","authors":"Merve Akin, Hatice Kars, Muhammed Bekmezci, Aysenur Aygun, Mert Gul, Guray Kaya and Fatih Sen","doi":"10.1039/D4RA06393G","DOIUrl":"10.1039/D4RA06393G","url":null,"abstract":"<p >Fuel cells, one of the clean energy sources, is quite remarkable for energy production. In this context, catalysts are needed for the electrochemical reactions of DMFCs (direct methanol fuel cells) to work efficiently. In this study, Pt and Pt@Ti-MOF (Pt@MIL-125) NPs (nanoparticles) catalysts were synthesized by chemical synthesis. The Ti-MOF (MIL-125) structure was synthesized using the solvothermal method, and the effect of Ti-MOF on methanol oxidation was investigated. The results showed that Pt@Ti-MOF NPs provided 9.45 times more electrocatalytic activity for methanol oxidation compared to Pt NPs. In addition, Ti-MOF doping was shown to increase the stability and durability by long-term tests. The study provides important results on how MOF-supported structures behave electrochemically. The results show that Ti-MOF provides very high potential in MOR applications and is promising for use as an anode catalyst in DMFC systems.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36370-36377"},"PeriodicalIF":3.9,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11559627/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142612789","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Carrier behavior of a carbon material assisted TIPS-pentacene composite film for improvement of electrical conductivity 碳材料辅助 TIPS 五聚烯复合薄膜的载流子行为,以提高导电性能
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA06312K
Moonjeong Bok, Ju Ho Lee, Kanghee Won and Eunju Lim

Organic semiconductor devices have a lower intrinsic carrier density than inorganic semiconductors, and improving their electrical conductivity is important for organic electronic devices. Further theoretical investigations and understanding the properties of these electronic devices are necessary to improve the electrical conductivity of organic devices. In this study, we demonstrate how two carbon-material-assisted organic semiconductor devices affect the electrical conductivity and charge mechanism by using electrical measurements (i.e., IV and CV measurements, and numerical simulations). To clearly demonstrate the enhancement of the charge injection into TIPS (6,13-bis(triisopropylsilylethynyl)-pentacene), we studied the blending effect of carbon materials (carbon nanotube and fullerene) in TIPS and discussed injection, transport and charge accumulation of hole and electron in relation to trapped charge. This study will be helpful for understanding charge mechanisms in composite organic semiconductor devices.

与无机半导体相比,有机半导体器件的本征载流子密度较低,因此提高其导电性对有机电子器件非常重要。为了提高有机器件的导电性,有必要进一步开展理论研究并了解这些电子器件的特性。在本研究中,我们通过电学测量(即 I-V 和 C-V 测量以及数值模拟)展示了两种碳材料辅助的有机半导体器件如何影响导电性和电荷机制。为了清楚地证明电荷注入 TIPS(6,13-双(三异丙基硅基乙炔基)-并五苯)的增强效果,我们研究了碳材料(碳纳米管和富勒烯)在 TIPS 中的混合效应,并讨论了空穴和电子的注入、传输和电荷积累与捕获电荷的关系。这项研究将有助于理解复合有机半导体器件中的电荷机制。
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引用次数: 0
Correction: Design, synthesis, pharmacological evaluation, and in silico studies of the activity of novel spiro pyrrolo[3,4-d]pyrimidine derivatives 更正:新型螺吡咯并[3,4-d]嘧啶衍生物的设计、合成、药理学评价和活性硅学研究。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA90128B
Abdullah Y. A. Alzahrani, Wesam S. Shehab, Asmaa H. Amer, Mohamed G. Assy, Samar M. Mouneir, Maged Abdelaziz and Atef M. Abdel Hamid

Correction for ‘Design, synthesis, pharmacological evaluation, and in silico studies of the activity of novel spiro pyrrolo[3,4-d]pyrimidine derivatives’ by Abdullah Y. A. Alzahrani et al., RSC Adv., 2024, 14, 995–1008, https://doi.org/10.1039/D3RA07078F.

[此处更正了文章 DOI:10.1039/D3RA07078F]。
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引用次数: 0
Correlation between organic residuals of green synthesized nanoparticles and resistive switching behavior† 绿色合成纳米粒子的有机残留物与电阻开关行为之间的相关性。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA04381B
Trung Bao Ngoc Duong, Phu-Quan Pham, Anh Thuy Tran, Dat Tan Bui, Anh Tuan Thanh Pham, Tien Cam Thi Nguyen, Linh Ho Thuy Nguyen, Thuy Dieu Thi Ung, Nam Vu Hoang and Ngoc Kim Pham

In this work, ZnO nanoparticles (NPs) are synthesized using avocado seed extract and annealed at different annealing temperatures from 400 to 800 °C. The morphology of the nanoparticles changes from poly shapes at 400 °C to spherical ones at 800 °C, and particle sizes increase from ∼42 nm to ∼128 nm. The Ag/ZnO@400/FTO memory device exhibits stable resistive switching over 100 cycles and a resistance window of approximately 150. Also, the performance characteristics of ZnO@600 and ZnO@800-based devices are degraded gradually over operating cycles. The concentration of oxygen interstitials (Oi) in ZnO nanoparticles, which may originate from organic residues, decreases as the annealing temperature increases. These Oi ions reduced the energy barrier at the interfaces, facilitating electron transport under an external electric field. This study has demonstrated the close correlation between resistive switching characteristics and organic residuals in green synthesized nanoparticles.

本研究利用鳄梨籽提取物合成了氧化锌纳米粒子(NPs),并在 400 ℃ 至 800 ℃ 的不同退火温度下进行退火。纳米粒子的形貌从 400 ℃ 时的多边形变为 800 ℃ 时的球形,粒径也从∼42 nm 增大到∼128 nm。Ag/ZnO@400/FTO 存储器在 100 个循环周期内表现出稳定的电阻开关,电阻窗口约为 150。此外,基于 ZnO@600 和 ZnO@800 的器件的性能特性会随着工作周期而逐渐降低。随着退火温度的升高,氧化锌纳米粒子中可能来自有机残留物的氧间隙(Oi)浓度降低。这些 Oi 离子降低了界面上的能量势垒,从而促进了外部电场下的电子传输。这项研究证明了绿色合成纳米粒子的电阻开关特性与有机残留物之间的密切联系。
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引用次数: 0
Synthesis and evaluation of photoaffinity labeling reagents for identifying binding sites of sulfated neurosteroids on NMDA and GABAA receptors† 合成和评估光亲和标记试剂,以确定硫酸化神经甾类化合物在 NMDA 和 GABAA 受体上的结合位点。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1039/D4RA07074G
Mingxing Qian, Yuanjian Xu, Hong-Jin Shu, Zi-Wei Chen, Lei Wang, Charles F. Zorumski, Alex S. Evers, Steven Mennerick and Douglas F. Covey

The endogenous neurosteroids dehydroepiandrosterone sulfate (DHEAS) and pregnenolone sulfate (PS) are allosteric modulators of γ-aminobutyric acid type A (GABAA) and N-methyl-D-aspartate (NMDA) type glutamate receptors. Analogues of these endogenous steroid sulfates can be either positive or negative allosteric modulators (PAMs or NAMs, respectively) of these receptors, but there is limited information about the steroid-protein binding interactions that mediate these effects and photoaffinity labeling reagents (PALs) of sulfated steroids have not been reported previously. The synthesis of a panel of ten sulfated steroid analogues containing a diazirine group, five of which also contain an alkyne group for click chemistry reactions, for use in photoaffinity labeling studies to identify binding sites for steroid sulfates that are either positive or negative allosteric modulators is reported. Electrophysiological measurements on cultured rat hippocampal neurons were made to determine the modes of allosteric modulation in comparison to those of PS on both receptors. PALs with the activity profile of PS (NMDA PAM, GABAA NAM) were identified. Unexpectedly, PALs with PAM activity at both receptors were also found. Photolabeling of both receptors by two of the PALs was performed to demonstrate their utility, and by inference those of the other PALs, for future studies to identify binding sites for endogenous steroid sulfates on both receptors.

内源性神经类固醇硫酸脱氢表雄酮(DHEAS)和硫酸孕烯醇酮(PS)是γ-氨基丁酸 A 型(GABAA)和 N-甲基-d-天冬氨酸(NMDA)型谷氨酸受体的异位调节剂。这些内源性类固醇硫酸盐的类似物可以成为这些受体的正性或负性异位调节剂(分别为 PAMs 或 NAMs),但有关介导这些效应的类固醇与蛋白质结合相互作用的信息却很有限,而且硫酸化类固醇的光亲和标记试剂(PALs)此前也未见报道。本研究报告合成了一组含有重氮基团的十种硫酸化类固醇类似物,其中五种还含有用于点击化学反应的炔基团,用于光亲和标记研究,以确定类固醇硫酸盐的结合位点,这些位点是正性或负性的异位调节剂。对培养的大鼠海马神经元进行了电生理测量,以确定与 PS 对这两种受体的异位调节模式相比,PALs 的异位调节模式如何。确定了具有 PS 活性特征的 PAL(NMDA PAM、GABAA NAM)。意想不到的是,在两种受体上都发现了具有 PAM 活性的 PALs。我们用其中两种 PAL 对两种受体进行了光标记,以证明它们的效用,并推断出其他 PAL 的效用,以便在今后的研究中确定两种受体上内源性类固醇硫酸盐的结合位点。
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