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Advancements in green diesel production for energy sustainability: a comprehensive bibliometric analysis 为实现能源可持续性而生产绿色柴油的进展:文献计量学综合分析
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06262K
Jeesica Hermayanti Pratama, Zeni Rahmawati, Alvin Rahmad Widyanto, Triyanda Gunawan, Wan Nazwanie Wan Abdullah, Nor Laili Azua Jamari, Afan Hamzah and Hamzah Fansuri

Green diesel as a second-generation biofuel has received enormous attention owing to the huge demand for renewable fuel for addressing the net zero target in 2050. This study examines the development of green diesel research through a bibliometric analysis. The state-of-the-art green diesel research is studied based upon 1285 documents (1153 articles and 132 reviews) retrieved from the Scopus database related to the used keywords. The analysis focused on three categories: publication outcomes, most cited papers, and research area identification. The VOSviewer and RStudio (bibliometrix) were applied to analyse the data, rationalized within the framework of author, affiliation, country, citation analysis, cross-dimensional keyword analysis, research streams, and research gaps. The general result of the study highlighted a continuous incline in article numbers classified into three stages: initiation, exploration, and elevation. Those articles were mainly published in bioenergy-themed journals, including Fuel, Energy & Fuels, and Renewable and Sustainable Energy Reviews. Taufiq-Yap Yun Hin is the highest contributor with 41 articles, and Fuel published 110 articles. The rapid growth of green diesel was also inferred by the extensive spread of research maps worldwide. Amid those swift developments, the state of the art on green diesel through bibliometric analysis is not available to the best of our knowledge as far. Subsequently, this review aims to display the state of the art, research gap, and future forecast of green diesel research.

由于实现 2050 年净零排放目标对可再生燃料的巨大需求,作为第二代生物燃料的绿色柴油受到了极大关注。本研究通过文献计量分析,对绿色柴油研究的发展进行了研究。研究基于从 Scopus 数据库中检索到的与所用关键词相关的 1285 篇文献(1153 篇文章和 132 篇综述),对最先进的绿色柴油研究进行了分析。分析主要集中在三个方面:出版成果、被引用次数最多的论文和研究领域识别。分析数据时使用了 VOSviewer 和 RStudio(bibliometrix),并在作者、所属单位、国家、引文分析、跨维关键词分析、研究流和研究差距的框架内进行了合理化。研究的总体结果表明,文章数量持续增长,分为三个阶段:起步、探索和提升。这些文章主要发表在以生物能源为主题的期刊上,包括《燃料》、《能源与amp》、《燃料》和《可再生与可持续能源评论》。Taufiq-Yap Yun Hin 是贡献最多的作者,共发表了 41 篇文章,而《燃料》则发表了 110 篇文章。绿色柴油的快速发展还可以从研究地图在全球的广泛传播中推断出来。在这些迅猛发展的同时,据我们所知,目前还没有通过文献计量学分析来了解绿色柴油的研究现状。因此,本综述旨在展示绿色柴油研究的最新进展、研究缺口和未来预测。
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引用次数: 0
Applications and interventions of polymers and nanomaterials in alveolar bone regeneration and tooth dentistry 聚合物和纳米材料在牙槽骨再生和牙科中的应用和干预措施
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06092J
Prashish Sharma, Sushmita Saurav, Zeba Tabassum, Bhawana Sood, Anil Kumar, Tabarak Malik, Anand Mohan and Madhuri Girdhar

Inflammatory diseases exert a significant influence on the periodontium, serving as a primary contributor to the development of periodontitis. The advancement of periodontitis, characterized by manifestations, such as gingival recession, increased periodontal pocket depth and resorption across the alveolar bone, cementum and periodontal ligaments, poses a significant risk of dental detachment. Untreated or delayed treatment further worsens these deleterious outcomes. This emphasizes the critical importance of timely and effective interventions in reducing the consequences associated with periodontitis. Addressing these challenges requires to focus on the fabrication of bioactive materials, particularly scaffolds, as pivotal elements in tissue engineering processes aimed at alveolar bone regeneration. The incorporation of natural polymers, particularly their amalgamation with clays and clay minerals, such as montmorillonite and LAPONITE®, has been identified as a prospective pathway for advancing biomaterials in the realm of dentistry. This amalgamation holds significant potential for the production of biomaterials with enhanced properties, underscoring its relevance and applicability in dental research. This review paper explores the current advancements in natural polymer-based biomaterials employed in various dental applications, including oral caries, regenerative medicine and alveolar bone regeneration. The principal aim of this investigation is to briefly compile and present the existing knowledge while updating information on the utilization of natural polymers in the formulation of biomaterials. Additionally, the paper aims to elucidate their applications within contemporary research trends and developments in the field of odontology. This article extensively delves into pertinent research to assess the progress of nanotechnology in the context of tissue regeneration and the treatment of oral diseases.

炎症性疾病对牙周有重大影响,是导致牙周炎发展的主要因素。牙周炎的发展表现为牙龈退缩、牙周袋深度增加以及牙槽骨、骨水泥和牙周韧带的吸收,这就构成了牙齿脱落的重大风险。不治疗或延迟治疗会进一步恶化这些有害结果。这就强调了及时有效的干预对于减少牙周炎相关后果的极端重要性。要应对这些挑战,就必须把重点放在生物活性材料的制造上,特别是支架,这是旨在实现牙槽骨再生的组织工程过程中的关键要素。天然聚合物的加入,特别是与粘土和粘土矿物(如蒙脱石和 LAPONITE®)的混合,已被确定为在牙科领域推动生物材料发展的一种前景广阔的途径。这种汞齐法在生产具有更强性能的生物材料方面具有巨大潜力,突出了其在牙科研究中的相关性和适用性。这篇综述论文探讨了目前在各种牙科应用中使用的天然聚合物基生物材料的进展,包括口腔龋齿、再生医学和牙槽骨再生。本研究的主要目的是简要梳理和介绍现有知识,同时更新有关利用天然聚合物配制生物材料的信息。此外,本文还旨在阐明天然聚合物在牙科领域的当代研究趋势和发展中的应用。本文广泛深入地探讨了相关研究,以评估纳米技术在组织再生和口腔疾病治疗方面的进展。
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引用次数: 0
Developing Ni0.5Zn0.5Fe2O4 ferrite with controlled particle size and morphology through optimized processing conditions of low energy solid state reaction† 通过优化低能固态反应的加工条件,开发具有可控粒度和形貌的 Ni0.5Zn0.5Fe2O4 铁氧体†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA07076C
Sarah Baayyad, Fatima-Zahra Semlali, El Kébir Hlil, Tarik Mahfoud, Hassan El Moussaoui and Mounir El Achaby

Soft magnetic materials, like Ni0.5Zn0.5Fe2O4, require high temperatures and regulated environments for their manufacture and processing, which can be highly energy intensive. These requirements therefore result in higher production costs and energy consumption. To address this issue, the development of composite materials based on soft magnetic ferrites has become a prominent research area. The type of particles and their size distribution, shape, and dispersion within the polymer matrix can be crucial for controlling the magnetic properties. In this context, and to reduce energy consumption, the parameters of solid-state reaction (such as calcination temperature, calcination time, and milling time) were optimized in this work to produce magnetic particles with suitable shape and size for filling a thermoplastic matrix. The impact of these parameters on phase purity, morphology, particle size, and magnetic properties was thoroughly evaluated. The results highlight that the sample synthesized at 1200 °C for 6 hours achieved an impressive saturation magnetization value of 80.07 emu g−1, showcasing exceptional magnetic performance.

软磁材料(如 Ni0.5Zn0.5Fe2O4)的生产和加工需要高温和规范的环境,这可能是高能耗的。因此,这些要求导致生产成本和能源消耗增加。为解决这一问题,开发基于软磁铁氧体的复合材料已成为一个突出的研究领域。颗粒的类型及其在聚合物基体中的尺寸分布、形状和分散性对于控制磁性能至关重要。在此背景下,为了降低能耗,本研究对固态反应参数(如煅烧温度、煅烧时间和研磨时间)进行了优化,以生产出具有合适形状和尺寸的磁性颗粒,用于填充热塑性基体。我们全面评估了这些参数对相纯度、形态、粒度和磁性能的影响。结果表明,在 1200 °C 下合成 6 小时的样品达到了令人印象深刻的饱和磁化值 80.07 emu g-1,展示了卓越的磁性能。
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引用次数: 0
Facile fabrication of g-C3N4/Bi2S3 coated melamine foam for oil/water separation applications† 用于油水分离应用的 g-C3N4/Bi2S3 涂层三聚氰胺泡沫的简便制备方法†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA07030E
Swathi A. C. and Maneesh Chandran

Regular occurrences of oil leaks are recognized as a significant contributor to water pollution, resulting in substantial environmental and ecological challenges, as well as posing potential for fires and explosions. Therefore, it is imperative to create a cost-effective and exceptionally effective absorbent material for separating oil and water. Hydrophobic, foam-like materials have garnered considerable attention as potential absorbers for addressing oil spills and recovering oil from water sources. In this experimental study, simple, low-cost, environmentally friendly, highly hydrophobic, and super oleophilic g-C3N4/Bi2S3 nanocomposite-coated melamine foam was introduced for oily wastewater treatment. The g-C3N4 and Bi2S3 were synthesized by thermal decomposition and hydrothermal methods, and the g-C3N4/Bi2S3 composite-coated foam was prepared by a simple dip-coated method. The g-C3N4/Bi2S3 composite-coated melamine foam shows excellent absorption capacity, and it can absorb various oils and solvents and separate different oils and solvents from water. Hence, the developed g-C3N4/Bi2S3 foam absorbent has excellent potential in oil/water separation applications.

经常发生的油类泄漏被认为是造成水污染的重要因素,会给环境和生态带来巨大挑战,并可能引发火灾和爆炸。因此,当务之急是创造一种成本效益高且异常有效的吸油材料,用于分离油和水。疏水性泡沫材料作为解决油类泄漏问题和从水源中回收油类的潜在吸收剂,已经引起了广泛关注。在这项实验研究中,采用了简单、低成本、环保、高疏水性和超亲油性的 g-C3N4/Bi2S3 纳米复合涂层三聚氰胺泡沫来处理含油废水。g-C3N4 和 Bi2S3 是通过热分解和水热法合成的,g-CN4/Bi2S3 复合涂层泡沫是通过简单的浸涂法制备的。g-C3N4/Bi2S3 复合涂层三聚氰胺泡沫具有优异的吸附能力,能吸附各种油类和溶剂,并能从水中分离出不同的油类和溶剂。因此,所开发的 g-C3N4/Bi2S3 泡沫吸收剂在油/水分离应用中具有极佳的潜力。
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引用次数: 0
Investigation of variable range hopping and dielectric relaxation in GdCrO3 orthochromite perovskites 研究 GdCrO3 正色包晶中的变程跳变和介电弛豫
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06104G
Mohamed Youssef Gneber, Imen Elhamdi, Jalel Messoudi, Radhia Dhahri, Foudil Sahnoune, Mosbah Jemmali, Magdy Hussein, Essebti Dhahri and Benilde Faria Oliveira Costa

This study investigates the structural, electrical, and dielectric properties of GdCrO3 (GCO) compounds. X-ray diffraction analysis confirmed the formation of the perovskite phase of GCO, crystallizing with the Pbnm space group. Scanning electron microscopy (SEM) was employed to examine the morphology and chemical composition of the powder, ensuring compound homogeneity, while transmission electron microscopy (TEM) provided insights into the internal structure and finer morphology of the GCO sample. Electrical measurements revealed that GCO exhibits semiconductor behavior, with a notable increase in conductivity as temperature rises, attributed to enhanced charge carrier mobility and hopping conduction mechanisms. Dielectric analysis demonstrated significant frequency-dependent behavior, characterized by various polarization effects and relaxation phenomena. GCO is a promising material for energy storage due to its giant permittivity and low energy loss. The activation energies derived from the electrical and dielectric measurements indicate higher resistance within the grains compared to the grain boundaries, suggesting complex conduction processes. Additionally, the dielectric loss spectra revealed substantial losses, likely due to defect states such as oxygen vacancies and mixed valence states, indicating a highly disordered material. These comprehensive insights into the structural and functional properties of GCO highlight its potential applications in electronic and electrical devices where controlled conductivity and dielectric properties are crucial.

本研究探讨了 GdCrO3(GCO)化合物的结构、电气和介电特性。X 射线衍射分析证实了 GCO 的包晶相的形成,其结晶具有 Pbnm 空间群。扫描电子显微镜(SEM)用于检查粉末的形态和化学成分,以确保化合物的均匀性,而透射电子显微镜(TEM)则有助于深入了解 GCO 样品的内部结构和更精细的形态。电学测量结果表明,GCO 具有半导体特性,随着温度的升高,电导率显著增加,这归因于电荷载流子迁移率和跳跃传导机制的增强。介电分析表明,GCO 具有明显的频率依赖行为,其特征是各种极化效应和弛豫现象。GCO 具有巨大的介电常数和低能量损耗,是一种很有前途的储能材料。电学和介电测量得出的活化能表明,与晶界相比,晶粒内部的电阻更高,这表明传导过程很复杂。此外,介电损耗光谱显示出大量损耗,这可能是由于氧空位和混合价态等缺陷状态造成的,表明这是一种高度无序的材料。这些对 GCO 结构和功能特性的全面了解,突显了它在电子和电气设备中的潜在应用,在这些设备中,可控的导电性和介电特性至关重要。
{"title":"Investigation of variable range hopping and dielectric relaxation in GdCrO3 orthochromite perovskites","authors":"Mohamed Youssef Gneber, Imen Elhamdi, Jalel Messoudi, Radhia Dhahri, Foudil Sahnoune, Mosbah Jemmali, Magdy Hussein, Essebti Dhahri and Benilde Faria Oliveira Costa","doi":"10.1039/D4RA06104G","DOIUrl":"https://doi.org/10.1039/D4RA06104G","url":null,"abstract":"<p >This study investigates the structural, electrical, and dielectric properties of GdCrO<small><sub>3</sub></small> (GCO) compounds. X-ray diffraction analysis confirmed the formation of the perovskite phase of GCO, crystallizing with the <em>Pbnm</em> space group. Scanning electron microscopy (SEM) was employed to examine the morphology and chemical composition of the powder, ensuring compound homogeneity, while transmission electron microscopy (TEM) provided insights into the internal structure and finer morphology of the GCO sample. Electrical measurements revealed that GCO exhibits semiconductor behavior, with a notable increase in conductivity as temperature rises, attributed to enhanced charge carrier mobility and hopping conduction mechanisms. Dielectric analysis demonstrated significant frequency-dependent behavior, characterized by various polarization effects and relaxation phenomena. GCO is a promising material for energy storage due to its giant permittivity and low energy loss. The activation energies derived from the electrical and dielectric measurements indicate higher resistance within the grains compared to the grain boundaries, suggesting complex conduction processes. Additionally, the dielectric loss spectra revealed substantial losses, likely due to defect states such as oxygen vacancies and mixed valence states, indicating a highly disordered material. These comprehensive insights into the structural and functional properties of GCO highlight its potential applications in electronic and electrical devices where controlled conductivity and dielectric properties are crucial.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36161-36172"},"PeriodicalIF":3.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06104g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600496","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
Physicochemical properties and mechanism of action of a new copper(ii) pyrazine-based complex with high anticancer activity and selectivity towards cancer cells† 对癌细胞具有高抗癌活性和选择性的新型吡嗪基铜(ii)配合物的理化性质和作用机理†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06874B
B. Rogalewicz, T. Sierański, M. Szczesio, A. Olczak, K. Gobis, C. Orlewska, I. Korona-Głowniak, A. Korga-Plewko, M. Iwan, M. Michalczuk, J. Kubik, G. Adamczuk, M. Korga, N. Rutkowska, T. Boruta, K. Gas, M. Sawicki, E. Poleszak, W. Maniukiewicz, M. Świątkowski and A. Czylkowska

Two compounds, benzyl-2-(amino(pyrazin-2-yl)methylene)-1-methylhydrazine-1-carbodithioate (L) and its copper(II) complex Cu(L) were synthesized and studied in terms of their physicochemical properties, including single crystal, spectroscopic and magnetic properties; in silico simulations, including DFT calculations and pharmacokinetic profile analysis; and in vitro biological activity. The Cu(L) compound was found to exhibit good anticancer activity against A375, PANC-1, MKN-74, T-47D, HeLa, and NCI-H1563 cells, with the IC50 value against the HeLa cell line reaching 17.50 μM, significantly surpassing the activity of the organic ligand. Moreover, at the same time, the Cu(L) complex did not exhibit significant toxicity towards healthy cells. Mechanism of action studies revealed that its activity is connected with the oxidative stress and redox imbalance caused by the upregulation of genes encoding superoxide dismutase (SOD2) and catalase (CAT) antioxidant enzymes. The reported results further underscore the anticancer potential of pyrazine-based copper(II) complexes.

研究人员合成了两种化合物,即苄基-2-(氨基(吡嗪-2-基)亚甲基)-1-甲基肼-1-二硫代碳酸酯(L)及其铜(II)配合物 Cu(L),并从单晶、光谱和磁性等理化性质、DFT 计算和药代动力学分析等硅学模拟以及体外生物活性等方面对其进行了研究。研究发现,Cu(L)化合物对A375、PANC-1、MKN-74、T-47D、HeLa和NCI-H1563细胞具有良好的抗癌活性,其中对HeLa细胞系的IC50值达到17.50 μM,大大超过了有机配体的活性。此外,Cu(L) 复合物对健康细胞没有明显毒性。作用机制研究表明,其活性与氧化应激和氧化还原失衡有关,氧化应激和氧化还原失衡是由编码超氧化物歧化酶(SOD2)和过氧化氢酶(CAT)抗氧化酶的基因上调引起的。所报告的结果进一步强调了吡嗪基铜(II)配合物的抗癌潜力。
{"title":"Physicochemical properties and mechanism of action of a new copper(ii) pyrazine-based complex with high anticancer activity and selectivity towards cancer cells†","authors":"B. Rogalewicz, T. Sierański, M. Szczesio, A. Olczak, K. Gobis, C. Orlewska, I. Korona-Głowniak, A. Korga-Plewko, M. Iwan, M. Michalczuk, J. Kubik, G. Adamczuk, M. Korga, N. Rutkowska, T. Boruta, K. Gas, M. Sawicki, E. Poleszak, W. Maniukiewicz, M. Świątkowski and A. Czylkowska","doi":"10.1039/D4RA06874B","DOIUrl":"https://doi.org/10.1039/D4RA06874B","url":null,"abstract":"<p >Two compounds, benzyl-2-(amino(pyrazin-2-yl)methylene)-1-methylhydrazine-1-carbodithioate (<strong>L</strong>) and its copper(<small>II</small>) complex <strong>Cu(L)</strong> were synthesized and studied in terms of their physicochemical properties, including single crystal, spectroscopic and magnetic properties; <em>in silico</em> simulations, including DFT calculations and pharmacokinetic profile analysis; and <em>in vitro</em> biological activity. The <strong>Cu(L)</strong> compound was found to exhibit good anticancer activity against A375, PANC-1, MKN-74, T-47D, HeLa, and NCI-H1563 cells, with the IC<small><sub>50</sub></small> value against the HeLa cell line reaching 17.50 μM, significantly surpassing the activity of the organic ligand. Moreover, at the same time, the <strong>Cu(L)</strong> complex did not exhibit significant toxicity towards healthy cells. Mechanism of action studies revealed that its activity is connected with the oxidative stress and redox imbalance caused by the upregulation of genes encoding superoxide dismutase (SOD2) and catalase (CAT) antioxidant enzymes. The reported results further underscore the anticancer potential of pyrazine-based copper(<small>II</small>) complexes.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36295-36307"},"PeriodicalIF":3.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06874b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600458","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
Synthesis of green fluorescent carbon dots and their application in mercury ion detection† 绿色荧光碳点的合成及其在汞离子检测中的应用†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06635A
Juan Hou, Qinqin Chen, Xiangzhi Meng, Huiling Liu and Wei Feng

Green fluorescent carbon dots (GCDs) were synthesized using o-phenylenediamine and ethylenediamine through a one-step hydrothermal method, thereby eliminating the need for further processing. The GCDs exhibited strong green fluorescence that was effectively quenched by Hg2+ and Fe3+, with minimal interference from other metal ions, anions, and small biological molecules. By optimizing the buffer solution, interference from Fe3+ was mitigated, which enhanced the robustness of the GCDs as a fluorescence probe for Hg2+ detection. The detection range for Hg2+ was 0–100 μM, with a detection limit of 300 nM. The quenching mechanism was thoroughly investigated, and the GCDs were successfully applied to detect Hg2+ in real water samples, yielding satisfactory results. This work highlights the potential of GCDs for practical environmental monitoring and water quality analysis.

使用邻苯二胺和乙二胺通过一步水热法合成了绿色荧光碳点(GCDs),因此无需进一步加工。GCDs 发出的强烈绿色荧光能被 Hg2+ 和 Fe3+ 有效淬灭,而其他金属离子、阴离子和生物小分子的干扰极小。通过优化缓冲溶液,减轻了来自 Fe3+ 的干扰,从而提高了 GCDs 作为 Hg2+ 荧光探针检测的稳定性。Hg2+ 的检测范围为 0-100 μM,检测限为 300 nM。研究人员对淬灭机制进行了深入研究,并将 GCD 成功应用于实际水样中 Hg2+ 的检测,取得了令人满意的结果。这项工作凸显了 GCDs 在实际环境监测和水质分析中的潜力。
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引用次数: 0
Porous CaMnO3-promoted g-C3N4 as an effective photocatalyst for tetracycline degradation† 多孔 CaMnO3 促进的 g-C3N4 是一种有效降解四环素的光催化剂†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06407K
Bo Zhang, Chaoqi Li, Shasha Liu, Lixuan Zhuang, Weiqi Zhang, Limei Huang, Zhenzhen Jia, Dongdong Chen and Xiang Li

A CaMnO3/g-C3N4 heterostructure, demonstrating promising photocatalytic performance for tetracycline (TC), was successfully synthesized using a straightforward calcination approach in this study. A series of characterization methods were employed to assess the physicochemical properties and visible-light responsiveness of the synthesized photocatalysts. The photocatalytic degradation rates of TC for the three prepared samples were evaluated. The results indicate that the CaMnO3/g-C3N4 composite exhibits the highest photocatalytic activity under visible-light irradiation, surpassing that of the individual components. Specifically, the degradation rate of CaMnO3/g-C3N4 is 0.031 min−1, which is 2.07 and 2.82 times greater than that of the pristine g-C3N4 and CaMnO3, respectively. Our findings highlight the significant potential of eco-friendly perovskites in developing visible-light-activated g-C3N4-based heterostructures for practical photocatalytic applications.

本研究采用简单的煅烧方法成功合成了 CaMnO3/g-C3N4 异质结构,该结构对四环素(TC)具有良好的光催化性能。研究采用了一系列表征方法来评估合成光催化剂的理化性质和可见光响应性。对三种制备样品的 TC 光催化降解率进行了评估。结果表明,在可见光照射下,CaMnO3/g-C3N4 复合材料表现出最高的光催化活性,超过了单独成分的光催化活性。具体来说,CaMnO3/g-C3N4 的降解率为 0.031 min-1,分别是原始 g-C3N4 和 CaMnO3 的 2.07 倍和 2.82 倍。我们的研究结果凸显了环保型过氧化物在开发基于 g-C3N4 的可见光激活异质结构以实现实际光催化应用方面的巨大潜力。
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引用次数: 0
In silico molecular docking and ADMET prediction of biogenic zinc oxide nanoparticles: characterization, and in vitro antimicrobial and photocatalytic activity 生物源氧化锌纳米颗粒的硅学分子对接和 ADMET 预测:表征及体外抗菌和光催化活性
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06890D
Hajara Akhter, Susmita Sarker Ritu, Shahariar Siddique, Fariha Chowdhury, Rehnuma Tasmiyah Chowdhury, Samina Akhter and Mahmuda Hakim

Biogenic synthesis of metal oxide nanoparticles is a rapidly growing research area in the field of nanotechnology owing to their immense potential in multifaceted biomedical and environmental applications. In this study, zinc oxide (ZnO) nanoparticles (NPs) were biosynthesized from the Citrullus lanatus rind extract to elucidate their potential antimicrobial and dye degradation activity. The structural, morphological, and optical properties of the NPs were examined using various analytical techniques. UV-vis spectra showed a λmax at 370 nm and the optical band gap was determined to be 3.2 eV for the ZnO nanocomposite. The FTIR spectrum denoted the functional groups responsible for the reduction of zinc acetate precursor to ZnO NPs. XRD demonstrated that the mean crystalline size of the nanocomposites was 20.36 nm while DLS, ζ-potential, FE-SEM, and EDX analysis of synthesized NPs confirmed their hydrodynamic size distribution, stability, morphological features, and elemental compositions, respectively. Biogenic ZnO NPs unveiled potent antimicrobial activity against S. aureus, L. monocytogenes, E. coli, P. aeruginosa, and C. albicans, showing 13 to 22 mm ZOI. This bactericidal activity of ZnO NPs was further elucidated using molecular docking analysis. The results showed a favorable lowest binding energy between ZnO NPs and microbial proteins (AusA for S. aureus, and CAT III for E. coli), which led to a possible mechanistic approach for ZnO NPs. Furthermore, the remarkable photocatalytic activity of ZnO NPs was revealed by the degradation of 99.02% of methylene blue (MB) dye within 120 min. Therefore, the above findings suggest that green synthesized ZnO NPs can be exploited as an eco-friendly alternative to synthetic substances and a unique promising candidate for therapeutic applications and environmental remediation.

金属氧化物纳米粒子的生物合成是纳米技术领域一个快速发展的研究领域,因为它们在生物医学和环境应用等多方面具有巨大潜力。在本研究中,从南瓜果皮提取物中生物合成了氧化锌(ZnO)纳米粒子(NPs),以阐明其潜在的抗菌和染料降解活性。利用各种分析技术对 NPs 的结构、形态和光学特性进行了检测。紫外-可见光谱显示,ZnO 纳米复合材料的 λmax 为 370 nm,光带隙为 3.2 eV。傅立叶变换红外光谱显示了将醋酸锌前驱体还原成 ZnO 纳米粒子的官能团。XRD 表明纳米复合材料的平均结晶尺寸为 20.36 nm,而对合成的 NPs 进行的 DLS、ζ-电位、FE-SEM 和 EDX 分析分别证实了它们的流体力学尺寸分布、稳定性、形态特征和元素组成。生物 ZnO NPs 对金黄色葡萄球菌、单核细胞增生症、大肠杆菌、铜绿假单胞菌和白僵菌具有很强的抗菌活性,显示出 13 至 22 mm 的 ZOI。分子对接分析进一步阐明了氧化锌纳米粒子的这种杀菌活性。结果表明,氧化锌氮氧化物与微生物蛋白质(金黄色葡萄球菌的 AusA 和大肠杆菌的 CAT III)之间的结合能最低,这为氧化锌氮氧化物的机理研究提供了可能。此外,ZnO NPs 在 120 分钟内降解了 99.02% 的亚甲基蓝(MB)染料,显示了其卓越的光催化活性。因此,上述研究结果表明,绿色合成的氧化锌氮氧化物可作为合成物质的环保型替代品加以利用,也是治疗应用和环境修复领域独具潜力的候选物质。
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引用次数: 0
Computational discovery of two-dimensional tetragonal group IV–V monolayers † 二维四方 IV-V 族单层的计算发现 †
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1039/D4RA06623E
Qiubao Lin, Jungang Huang, Yimei Fang, Feng Zheng, Kaixuan Chen, Shunqing Wu and Zi-Zhong Zhu

The two-dimensional (2D) hexagonal group IV–V family has attracted significant attention due to their unique properties and potential applications in electronics, spintronics, and photocatalysis. In this study, we report the discovery of a stable tetragonal allotrope, termed the Td4 phase, of 2D IV–V monolayers through a structural search utilizing an adaptive genetic algorithm. We investigate the geometric structures, structural stabilities, and band structures of the Td4-phase 2D IV–V monolayers (where IV = Si, Ge, Sn; V = P, As, Sb) based on the first-principles calculations. All the investigated 2D IV–V monolayers are dynamically and thermodynamically stable, and exhibit metallic behavior in their pristine form. Furthermore, we investigate the effects of surface hydrogenation on the electronic structures of these monolayers. Except for the hydrogenated GeSb monolayer, the remaining 2D IV–V monolayers turn into indirect semiconductors, with band gap values ranging from 0.15 to 1.12 eV. This work expands the known structural motifs within the 2D group IV–V family and contributes to the ongoing exploration of low-dimensional materials.

二维(2D)六边形 IV-V 族因其独特的性质以及在电子学、自旋电子学和光催化领域的潜在应用而备受关注。在本研究中,我们利用自适应遗传算法进行结构搜索,发现了一种稳定的二维 IV-V 族单层四方同素异形体,称为 Td4 相。我们基于第一原理计算研究了 Td4 相二维 IV-V 单层(其中 IV = Si、Ge、Sn;V = P、As、Sb)的几何结构、结构稳定性和能带结构。所有被研究的二维 IV-V 单层在动力学和热力学上都很稳定,并在原始状态下表现出金属特性。此外,我们还研究了表面氢化对这些单层电子结构的影响。除了氢化 GeSb 单层外,其余的二维 IV-V 单层都变成了间接半导体,带隙值在 0.15 至 1.12 eV 之间。这项研究拓展了二维 IV-V 族中已知的结构模式,为目前对低维材料的探索做出了贡献。
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