Pub Date : 2024-04-08DOI: 10.3390/inorganics12040109
Manal E. Shafi, Halimah A. Alsabi, S. H. Almasoudi, Faten A. M. Mufti, Safaa A. Alowaidi, Alaa A. Alaswad
Biodiesel represents a promising solution for sustainable energy needs, offering an eco-friendly alternative to conventional fossil fuels. In this research, we investigate the use of a catalyst derived from mussel shells to facilitate biodiesel production from Jatropha curcas oil. Our findings from X-ray Fluorescence (XRF) analysis emphasize the importance of carefully selecting calcination temperatures for mussel shell-based catalysts, with 1100 °C identified as optimal for maximizing CaO content. We identify a reaction time of 6 h as potentially optimal, with a reaction temperature of approximately 110 °C yielding the desired methyl ester composition. Notably, a methanol-to-oil ratio of 18:1 is the most favorable condition, and the optimal methyl ester composition is achieved at a calcined catalyst temperature of 900 °C. We also assess the stability of the catalyst, demonstrating its potential for reuse up to five times. Additionally, a thorough analysis of J. curcas Methyl Ester (JCME) biodiesel properties confirmed compliance with industry standards, with variations attributed to the unique characteristics of JCME. Comparing homogeneous (NaOH) and heterogeneous (CaO) catalysts highlights the potential of environmentally sourced heterogeneous catalysts to replace their homogeneous counterparts while maintaining efficiency. Our study presents a novel approach to sustainable biodiesel production, outlining optimal conditions and catalyst stability and highlighting additional benefits compared with NaOH catalysts. Therefore, utilizing mussel shell waste for catalyst synthesis can efficiently eliminate waste and produce cost-effective catalysts.
生物柴油是满足可持续能源需求的一种前景广阔的解决方案，是传统化石燃料的生态友好型替代品。在这项研究中，我们研究了如何使用从贻贝壳中提取的催化剂来促进麻风树油生物柴油的生产。我们从 X 射线荧光 (XRF) 分析中得出的结论强调了精心选择贻贝壳催化剂煅烧温度的重要性，其中 1100 °C 被认为是最大限度提高氧化钙含量的最佳温度。我们认为 6 小时的反应时间可能是最佳反应时间，大约 110 °C 的反应温度可产生所需的甲酯成分。值得注意的是，甲醇与油的比例为 18:1 是最有利的条件，在煅烧催化剂温度为 900 °C 时可获得最佳的甲酯成分。我们还对催化剂的稳定性进行了评估，证明其具有重复使用五次的潜力。此外，对卷柏甲酯（JCME）生物柴油特性的全面分析表明，该特性符合行业标准，其变化归因于卷柏甲酯的独特特性。通过比较均相（NaOH）催化剂和异相（CaO）催化剂，凸显了环保型异相催化剂在保持效率的同时取代均相催化剂的潜力。我们的研究提出了一种可持续生物柴油生产的新方法，概述了最佳条件和催化剂稳定性，并强调了与 NaOH 催化剂相比的额外优势。因此，利用贻贝壳废料合成催化剂可以有效地消除废物，并生产出具有成本效益的催化剂。
{"title":"Catalytic Conversion of Jatropha curcas Oil to Biodiesel Using Mussel Shell-Derived Catalyst: Characterization, Stability, and Comparative Study","authors":"Manal E. Shafi, Halimah A. Alsabi, S. H. Almasoudi, Faten A. M. Mufti, Safaa A. Alowaidi, Alaa A. Alaswad","doi":"10.3390/inorganics12040109","DOIUrl":"https://doi.org/10.3390/inorganics12040109","url":null,"abstract":"Biodiesel represents a promising solution for sustainable energy needs, offering an eco-friendly alternative to conventional fossil fuels. In this research, we investigate the use of a catalyst derived from mussel shells to facilitate biodiesel production from Jatropha curcas oil. Our findings from X-ray Fluorescence (XRF) analysis emphasize the importance of carefully selecting calcination temperatures for mussel shell-based catalysts, with 1100 °C identified as optimal for maximizing CaO content. We identify a reaction time of 6 h as potentially optimal, with a reaction temperature of approximately 110 °C yielding the desired methyl ester composition. Notably, a methanol-to-oil ratio of 18:1 is the most favorable condition, and the optimal methyl ester composition is achieved at a calcined catalyst temperature of 900 °C. We also assess the stability of the catalyst, demonstrating its potential for reuse up to five times. Additionally, a thorough analysis of J. curcas Methyl Ester (JCME) biodiesel properties confirmed compliance with industry standards, with variations attributed to the unique characteristics of JCME. Comparing homogeneous (NaOH) and heterogeneous (CaO) catalysts highlights the potential of environmentally sourced heterogeneous catalysts to replace their homogeneous counterparts while maintaining efficiency. Our study presents a novel approach to sustainable biodiesel production, outlining optimal conditions and catalyst stability and highlighting additional benefits compared with NaOH catalysts. Therefore, utilizing mussel shell waste for catalyst synthesis can efficiently eliminate waste and produce cost-effective catalysts.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140728847","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}
Pub Date : 2024-04-08DOI: 10.3390/inorganics12040107
He Lin, Xuanxuan Cai, Yu Zhang
Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre- and post-oxygen defect (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25·8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g−1 at 0.1 A g−1, underscoring its promise for advanced energy storage solutions.
利用密度泛函理论（DFT）分析了 NH4V3O8（NVO）在氧缺陷（Od）形成前后的状态密度。研究结果表明，在引入 Od 后，NVO 的带隙减小，强调了 Od 在增强材料导电性方面的作用，从而改善了材料的电化学属性。通过水浴法，合成了 NVO 及其缺氧对应物 (NH4)2V10O25-8H2O (NVOd)，作为水性锌离子电池 (AZIB) 的潜在阴极材料。实验结果与 DFT 预测相吻合，凸显了氧缺陷在提高导电性方面的有利作用。值得注意的是，在 0.1 A g-1 的条件下，精制材料显示出 479.3 mAh g-1 的显著容量，突显了其在先进储能解决方案中的前景。
{"title":"Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study","authors":"He Lin, Xuanxuan Cai, Yu Zhang","doi":"10.3390/inorganics12040107","DOIUrl":"https://doi.org/10.3390/inorganics12040107","url":null,"abstract":"Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre- and post-oxygen defect (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25·8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g−1 at 0.1 A g−1, underscoring its promise for advanced energy storage solutions.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140730028","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}
Pub Date : 2024-04-06DOI: 10.3390/inorganics12040106
Christina Eleftheria Tzeliou, Konstantinos P. Zois, Demeter Tzeli
Ferrocene has a unique structure, i.e., a central iron atom neatly sandwiched between two cyclopentadienyl rings, which has revolutionized the chemists’ views about how metals bind to organic π-systems. This structural arrangement leads to some fascinating chemical and photophysical properties. The last three decades, there were reports about receptor molecules that could be considered to perform simple logic operations via coupling ionic bonding or more complex molecular-recognition processes with photonic (fluorescence) signals. In these systems, chemical binding (‘input’) results in a change in fluorescence intensity (‘output’) from the receptor. It has been proven that molecules respond to changes in their environment, such as the presence of various ions, neutral species, pHs, temperatures, and viscosities. Since their first realization by de Silva, molecular logic gates have been intensively experimentally studied, with purely theoretical studies being less common. Here, we present the research that has been conducted on Molecular Logic Gates (MLGs) containing ferrocene and their applications. We categorized such systems into three families of MLGs: long-chain molecules (oligomers or polymers) that incorporate ferrocene, medium-sized molecules that incorporate ferrocene, and systems where ferrocene or its derivatives are used as external additives. Furthermore, MLGs including metal cations without the ferrocene moiety are briefly presented, while computational methodologies for an accurate theoretical study of MLG, including metal cations, are suggested. Finally, future perspectives of MLGs containing ferrocene and their applications are also presented.
{"title":"Molecular Logic Gates Based on Ferrocene-Containing Compounds","authors":"Christina Eleftheria Tzeliou, Konstantinos P. Zois, Demeter Tzeli","doi":"10.3390/inorganics12040106","DOIUrl":"https://doi.org/10.3390/inorganics12040106","url":null,"abstract":"Ferrocene has a unique structure, i.e., a central iron atom neatly sandwiched between two cyclopentadienyl rings, which has revolutionized the chemists’ views about how metals bind to organic π-systems. This structural arrangement leads to some fascinating chemical and photophysical properties. The last three decades, there were reports about receptor molecules that could be considered to perform simple logic operations via coupling ionic bonding or more complex molecular-recognition processes with photonic (fluorescence) signals. In these systems, chemical binding (‘input’) results in a change in fluorescence intensity (‘output’) from the receptor. It has been proven that molecules respond to changes in their environment, such as the presence of various ions, neutral species, pHs, temperatures, and viscosities. Since their first realization by de Silva, molecular logic gates have been intensively experimentally studied, with purely theoretical studies being less common. Here, we present the research that has been conducted on Molecular Logic Gates (MLGs) containing ferrocene and their applications. We categorized such systems into three families of MLGs: long-chain molecules (oligomers or polymers) that incorporate ferrocene, medium-sized molecules that incorporate ferrocene, and systems where ferrocene or its derivatives are used as external additives. Furthermore, MLGs including metal cations without the ferrocene moiety are briefly presented, while computational methodologies for an accurate theoretical study of MLG, including metal cations, are suggested. Finally, future perspectives of MLGs containing ferrocene and their applications are also presented.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140735063","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}
Pub Date : 2024-04-05DOI: 10.3390/inorganics12040105
Sungwook Mhin
This study demonstrates the current advancements in battery management systems (BMSs), emphasizing the need for precise temperature monitoring within battery packs to enhance safety and performance through efficient thermal management. The increased demand for lithium-ion batteries (LIBs) has driven the development of temperature sensors with improved accuracy and stability. In particular, Ni-Co-Mn-based spinel oxides are commonly used due to their stable negative temperature coefficient (NTC) behavior. However, challenges arise in manufacturing due to the high cost and uncertain supply of critical cathode components (e.g., Co, Ni, and Mn) for LIBs. This research focuses on developing spinel-type (Ni0.6Co0.4Mn2)O4 using recycled Ni-Co-Mn oxides obtained from end-of-life (EOL) LIBs, demonstrating temperature resistance behavior suitable for temperature sensing. The oxides are prepared through hydrometallurgy, oxalate synthesis, and post-heat treatment. Successful integration into spinel-type NTC thermistors suggests broader applications in various industrial fields. A systematic investigation into the synthesis and characterization of recovered Ni-Co-Mn oxides from EOL LIB cathode materials (Li(Ni0.33Co0.33Mn0.33)O2) is presented for NTC thermistor application. Thermogravimetric analysis-derivative thermogravimetry (TGA-DTG) identifies the optimal post-heat treatment temperature. The X-ray diffraction (XRD) patterns confirm a cubic spinel structure of the Ni-Co-Mn oxides, supported by scanning electron microscope (SEM) images showing a uniform microstructure. Also, energy dispersive X-ray spectroscopy (EDS) mapping confirms homogeneous element distribution. Recovered oxide pellets from the sintering process exhibit a single spinel structure, with X-ray photoelectron spectroscopy (XPS) analysis revealing changes in the valence states for Ni and Mn. Resistivity measurements demonstrate semiconductive behavior, which shows a B value (3376.92 K) suitable for NTC thermistor applications. This study contributes valuable insights to black powder recycling from EOL LIBs and its potential in temperature-sensitive electronic devices.
{"title":"Recovery of Ni-Co-Mn Oxides from End-of-Life Lithium-Ion Batteries for the Application of a Negative Temperature Coefficient Sensor","authors":"Sungwook Mhin","doi":"10.3390/inorganics12040105","DOIUrl":"https://doi.org/10.3390/inorganics12040105","url":null,"abstract":"This study demonstrates the current advancements in battery management systems (BMSs), emphasizing the need for precise temperature monitoring within battery packs to enhance safety and performance through efficient thermal management. The increased demand for lithium-ion batteries (LIBs) has driven the development of temperature sensors with improved accuracy and stability. In particular, Ni-Co-Mn-based spinel oxides are commonly used due to their stable negative temperature coefficient (NTC) behavior. However, challenges arise in manufacturing due to the high cost and uncertain supply of critical cathode components (e.g., Co, Ni, and Mn) for LIBs. This research focuses on developing spinel-type (Ni0.6Co0.4Mn2)O4 using recycled Ni-Co-Mn oxides obtained from end-of-life (EOL) LIBs, demonstrating temperature resistance behavior suitable for temperature sensing. The oxides are prepared through hydrometallurgy, oxalate synthesis, and post-heat treatment. Successful integration into spinel-type NTC thermistors suggests broader applications in various industrial fields. A systematic investigation into the synthesis and characterization of recovered Ni-Co-Mn oxides from EOL LIB cathode materials (Li(Ni0.33Co0.33Mn0.33)O2) is presented for NTC thermistor application. Thermogravimetric analysis-derivative thermogravimetry (TGA-DTG) identifies the optimal post-heat treatment temperature. The X-ray diffraction (XRD) patterns confirm a cubic spinel structure of the Ni-Co-Mn oxides, supported by scanning electron microscope (SEM) images showing a uniform microstructure. Also, energy dispersive X-ray spectroscopy (EDS) mapping confirms homogeneous element distribution. Recovered oxide pellets from the sintering process exhibit a single spinel structure, with X-ray photoelectron spectroscopy (XPS) analysis revealing changes in the valence states for Ni and Mn. Resistivity measurements demonstrate semiconductive behavior, which shows a B value (3376.92 K) suitable for NTC thermistor applications. This study contributes valuable insights to black powder recycling from EOL LIBs and its potential in temperature-sensitive electronic devices.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140740779","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}
Pub Date : 2024-04-05DOI: 10.3390/inorganics12040103
František Mihok, Gabriela Hricková, V. Puchý, Juraj Szabó, Beáta Ballóková, R. Džunda, Karel Saksl
Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal expansion rates. Previous studies have demonstrated that the semiconductor polarity of SnSe alloys can be altered through Sb or Bi doping. This paper outlines a modified, scalable and cost-effective direct synthesis process for SnSe alloys, employing Sb, Bi, Ag, Ni, In and Mg as dopants. Polarity switching in the synthesized materials was observed with Bi doping, occurring in similar regions as observed with monocrystalline Sb. Additionally, In doping led to a significant increase in the Seebeck coefficient. Doping elements exhibited minimal influence on the crystal lattice of the material, with only minor shifts in lattice parameters noted. Crystallography analysis revealed a significant preferred orientation, consistent with the material’s documented propensity to form and align in layers, a characteristic observable even to the naked eye and confirmed through optical and electron microscopy. Furthermore, we have developed and thoroughly calibrated an in-house apparatus for determining the Seebeck coefficient of thermoelectric materials, based on the already published methodology, which describes a method for determining the electrical conductivity of disk- and rod-shaped samples.
{"title":"Effect of Multiple Doping Elements on Polarity Switching of Polycrystalline SnSe Semiconductor","authors":"František Mihok, Gabriela Hricková, V. Puchý, Juraj Szabó, Beáta Ballóková, R. Džunda, Karel Saksl","doi":"10.3390/inorganics12040103","DOIUrl":"https://doi.org/10.3390/inorganics12040103","url":null,"abstract":"Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal expansion rates. Previous studies have demonstrated that the semiconductor polarity of SnSe alloys can be altered through Sb or Bi doping. This paper outlines a modified, scalable and cost-effective direct synthesis process for SnSe alloys, employing Sb, Bi, Ag, Ni, In and Mg as dopants. Polarity switching in the synthesized materials was observed with Bi doping, occurring in similar regions as observed with monocrystalline Sb. Additionally, In doping led to a significant increase in the Seebeck coefficient. Doping elements exhibited minimal influence on the crystal lattice of the material, with only minor shifts in lattice parameters noted. Crystallography analysis revealed a significant preferred orientation, consistent with the material’s documented propensity to form and align in layers, a characteristic observable even to the naked eye and confirmed through optical and electron microscopy. Furthermore, we have developed and thoroughly calibrated an in-house apparatus for determining the Seebeck coefficient of thermoelectric materials, based on the already published methodology, which describes a method for determining the electrical conductivity of disk- and rod-shaped samples.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140737952","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}
Pub Date : 2024-04-05DOI: 10.3390/inorganics12040104
Néstor Calabia Calabia Gascón, R. Revilla, B. Wouters, Herman Terryn, Annick Hubin
The use of conductive polymers in aluminium electrolytic capacitors prevents leakage and enlarges the temperature use range when compared with their liquid counterparts. PEDOT:PSS is an outstanding candidate due to its tunable properties, i.e., electronic conductivity (10−5 to 103 S/cm), and its high thermal stability. As a result of their synthesis, PEDOT:PSS dispersions are characterized by a low pH value, which can influence pH sensitive materials such as aluminium. However, no work to date has studied the interaction between PEDOT:PSS dispersions and aluminium oxide substrates. In this work, the interface and interaction between PEDOT:PSS and an aluminium electrode were studied for the first time via odd random phase electrochemical impedance spectroscopy and analysed post mortem by SEM and AFM characterization. PEDOT:PSS dispersions at different pH values (1.9, 4.9, 5.8) were applied in a layered manner onto a non-etched aluminium substrate with a grown oxide layer on top, which provided a model system for the analysis of the interface. The analysis showed that the acidic PEDOT:PSS dispersions attacked the aluminium substrate, forming pores on the surface, but had a positive impact on the capacitance of the aluminium oxide/PEDOT:PSS systems. On the other hand, neutral dispersions did not affect the aluminium electrode, but showed poor layer formation properties, and the electrochemical analysis displayed a dispersion of results ranging from capacitive to resistive behaviour.
{"title":"On the Interaction between PEDOT:PSS Dispersions and Aluminium Electrodes for Solid State Electrolytic Capacitors","authors":"Néstor Calabia Calabia Gascón, R. Revilla, B. Wouters, Herman Terryn, Annick Hubin","doi":"10.3390/inorganics12040104","DOIUrl":"https://doi.org/10.3390/inorganics12040104","url":null,"abstract":"The use of conductive polymers in aluminium electrolytic capacitors prevents leakage and enlarges the temperature use range when compared with their liquid counterparts. PEDOT:PSS is an outstanding candidate due to its tunable properties, i.e., electronic conductivity (10−5 to 103 S/cm), and its high thermal stability. As a result of their synthesis, PEDOT:PSS dispersions are characterized by a low pH value, which can influence pH sensitive materials such as aluminium. However, no work to date has studied the interaction between PEDOT:PSS dispersions and aluminium oxide substrates. In this work, the interface and interaction between PEDOT:PSS and an aluminium electrode were studied for the first time via odd random phase electrochemical impedance spectroscopy and analysed post mortem by SEM and AFM characterization. PEDOT:PSS dispersions at different pH values (1.9, 4.9, 5.8) were applied in a layered manner onto a non-etched aluminium substrate with a grown oxide layer on top, which provided a model system for the analysis of the interface. The analysis showed that the acidic PEDOT:PSS dispersions attacked the aluminium substrate, forming pores on the surface, but had a positive impact on the capacitance of the aluminium oxide/PEDOT:PSS systems. On the other hand, neutral dispersions did not affect the aluminium electrode, but showed poor layer formation properties, and the electrochemical analysis displayed a dispersion of results ranging from capacitive to resistive behaviour.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140736585","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}
Pub Date : 2024-03-06DOI: 10.3390/inorganics12030080
P. Thu, Ta Ngoc Bach, L. Phong, Do Hoang Tung, V. H. Ky, Do Khanh Tung, V. D. Lam, D. H. Manh, Nguyen Huy Dan, T. X. Anh, N. T. H. Le
We have designed an excellent visible-light-driven and high-performance photocatalyst with a Ag-Cu2O-ZnO nanowire heterostructure in our work by combining the hydrothermal approach with plasma–liquid technology. The structural and morphological characteristics and optical properties of the samples were evaluated using X-ray diffraction, field-emission scanning electron microscopy, and spectrophotometry, respectively. The results show that the Ag nanoparticles are mainly positioned on the Cu2O nanoclusters compared with the ZnO nanowire surface, forming broccoli-like Ag-Cu2O nanoclusters during the Ar gas plasma treatment process in an aqueous solution. The diameter of the Ag/Cu2O nanoclusters ranges from 150 to 180 nm. The Ag-Cu2O-ZnO nanowires exhibited improved photocatalytic performance, decomposing approximately 98% methyl orange dye in 30 min. This is a consequence of the synergistic interactions between the p-n heterojunction formed at the Cu2O-ZnO interfaces and the localized surface plasmon resonance (LSPR) effect of the Ag nanoparticles, which broaden the visible light absorption range and effectively separate the photogenerated charge carriers.
{"title":"Synthesis and Characterization of Broccoli-like Ag/Cu2O Nanostructures on ZnO Nanowires Using the Plasma–Liquid Interaction Method","authors":"P. Thu, Ta Ngoc Bach, L. Phong, Do Hoang Tung, V. H. Ky, Do Khanh Tung, V. D. Lam, D. H. Manh, Nguyen Huy Dan, T. X. Anh, N. T. H. Le","doi":"10.3390/inorganics12030080","DOIUrl":"https://doi.org/10.3390/inorganics12030080","url":null,"abstract":"We have designed an excellent visible-light-driven and high-performance photocatalyst with a Ag-Cu2O-ZnO nanowire heterostructure in our work by combining the hydrothermal approach with plasma–liquid technology. The structural and morphological characteristics and optical properties of the samples were evaluated using X-ray diffraction, field-emission scanning electron microscopy, and spectrophotometry, respectively. The results show that the Ag nanoparticles are mainly positioned on the Cu2O nanoclusters compared with the ZnO nanowire surface, forming broccoli-like Ag-Cu2O nanoclusters during the Ar gas plasma treatment process in an aqueous solution. The diameter of the Ag/Cu2O nanoclusters ranges from 150 to 180 nm. The Ag-Cu2O-ZnO nanowires exhibited improved photocatalytic performance, decomposing approximately 98% methyl orange dye in 30 min. This is a consequence of the synergistic interactions between the p-n heterojunction formed at the Cu2O-ZnO interfaces and the localized surface plasmon resonance (LSPR) effect of the Ag nanoparticles, which broaden the visible light absorption range and effectively separate the photogenerated charge carriers.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140078267","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}
Pub Date : 2024-03-01DOI: 10.3390/inorganics12030077
Mehran Alavi, M. Ashengroph, M. R. Mozafari
The antimicrobial application of carbon nanomaterials, such as carbon nanotubes (CNTs), capped CNTs, CNT2–5, C60, C70, HO-C60, [C60]2, and [C60]3 fullerenes, is increasing, owing to their low cytotoxicity properties compared to other nanomaterials such as metallic nanoparticles. Enhanced mechanical properties and antibacterial activity can be caused by the incorporation of CNTs in 3-dimensional (3D) printed nanocomposites (NCs). The interruption of the bacterial membrane resulting from the cylindrical shape and high aspect ratio properties has been found to be the most prominent antibacterial mechanism of CNTs. However, the unraveling interaction of CNTs, capped CNTs, CNT2–5, C60, C70, HO-C60, [C60]2, and [C60]3 fullerenes with virulence factors of the main bacterial pathogenesis has not yet been understood. Therefore, in the present study, interactions of these carbon-based nanomaterials with the eight virulence factors, including protein kinase A and (ESX)-secreted protein B of Mycobacterium tuberculosis, pseudomonas elastase and exotoxin A of Pseudomonas aeruginosa, alpha-hemolysin and penicillin-binding protein 2a of Staphylococcus aureus, and shiga toxin 2a and heat-labile enterotoxin of Escherichia coli, were evaluated with the molecular docking method of AutoDock Vina. This study disclosed that the binding affinity was highest for CNT2–5 and [C60]3 toward alpha-hemolysin, with binding energies of −32.7 and −26.6 kcal/mol, respectively. The stability of the CNT2–5–alpha-hemolysin complex at different times was obtained according to the normal mode analysis of ElNémo and iMOD servers.
{"title":"Interaction of Carbon Nanotubes, Capped Carbon Nanotubes, CNT2–5, C60, C70, HO-C60, [C60]2, and [C60]3 Fullerenes with Virulence Factors of Gram-Negative and Gram-Positive Bacteria: Potential Applications for 3D-Printed Scaffolds","authors":"Mehran Alavi, M. Ashengroph, M. R. Mozafari","doi":"10.3390/inorganics12030077","DOIUrl":"https://doi.org/10.3390/inorganics12030077","url":null,"abstract":"The antimicrobial application of carbon nanomaterials, such as carbon nanotubes (CNTs), capped CNTs, CNT2–5, C60, C70, HO-C60, [C60]2, and [C60]3 fullerenes, is increasing, owing to their low cytotoxicity properties compared to other nanomaterials such as metallic nanoparticles. Enhanced mechanical properties and antibacterial activity can be caused by the incorporation of CNTs in 3-dimensional (3D) printed nanocomposites (NCs). The interruption of the bacterial membrane resulting from the cylindrical shape and high aspect ratio properties has been found to be the most prominent antibacterial mechanism of CNTs. However, the unraveling interaction of CNTs, capped CNTs, CNT2–5, C60, C70, HO-C60, [C60]2, and [C60]3 fullerenes with virulence factors of the main bacterial pathogenesis has not yet been understood. Therefore, in the present study, interactions of these carbon-based nanomaterials with the eight virulence factors, including protein kinase A and (ESX)-secreted protein B of Mycobacterium tuberculosis, pseudomonas elastase and exotoxin A of Pseudomonas aeruginosa, alpha-hemolysin and penicillin-binding protein 2a of Staphylococcus aureus, and shiga toxin 2a and heat-labile enterotoxin of Escherichia coli, were evaluated with the molecular docking method of AutoDock Vina. This study disclosed that the binding affinity was highest for CNT2–5 and [C60]3 toward alpha-hemolysin, with binding energies of −32.7 and −26.6 kcal/mol, respectively. The stability of the CNT2–5–alpha-hemolysin complex at different times was obtained according to the normal mode analysis of ElNémo and iMOD servers.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140084421","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}
Pub Date : 2024-02-23DOI: 10.3390/inorganics12030067
M. Ogunkola, Lennart Wolff, Eric Asare Fenteng, Benjamin R. Duffus, S. Leimkühler
All kingdoms of life have more than 150 different forms of RNA alterations, with tRNA accounting for around 80% of them. These chemical alterations include, among others, methylation, sulfuration, hydroxylation, and acetylation. These changes are necessary for the proper codon recognition and stability of tRNA. In Escherichia coli, sulfur modification at the wobble uridine (34) of lysine, glutamic acid, and glutamine is essential for codon and anticodon binding and prevents frameshifting during translation. Two important proteins that are involved in this thiolation modification are the L-cysteine desulfurase IscS, the initial sulfur donor, and tRNA-specific 2-thiouridylase MnmA, which adenylates and finally transfers the sulfur from IscS to the tRNA. tRNA-specific 2-thiouridylases are iron–sulfur clusters (Fe-S), either dependent or independent depending on the organism. Here, we dissect the controversy of whether the E. coli MnmA protein is an Fe-S cluster-dependent or independent protein. We show that when Fe-S clusters are bound to MnmA, tRNA thiolation is inhibited, making MnmA an Fe-S cluster-independent protein. We further show that 2-thiouridylase only binds to tRNA from its own organism.
{"title":"E. coli MnmA Is an Fe-S Cluster-Independent 2-Thiouridylase","authors":"M. Ogunkola, Lennart Wolff, Eric Asare Fenteng, Benjamin R. Duffus, S. Leimkühler","doi":"10.3390/inorganics12030067","DOIUrl":"https://doi.org/10.3390/inorganics12030067","url":null,"abstract":"All kingdoms of life have more than 150 different forms of RNA alterations, with tRNA accounting for around 80% of them. These chemical alterations include, among others, methylation, sulfuration, hydroxylation, and acetylation. These changes are necessary for the proper codon recognition and stability of tRNA. In Escherichia coli, sulfur modification at the wobble uridine (34) of lysine, glutamic acid, and glutamine is essential for codon and anticodon binding and prevents frameshifting during translation. Two important proteins that are involved in this thiolation modification are the L-cysteine desulfurase IscS, the initial sulfur donor, and tRNA-specific 2-thiouridylase MnmA, which adenylates and finally transfers the sulfur from IscS to the tRNA. tRNA-specific 2-thiouridylases are iron–sulfur clusters (Fe-S), either dependent or independent depending on the organism. Here, we dissect the controversy of whether the E. coli MnmA protein is an Fe-S cluster-dependent or independent protein. We show that when Fe-S clusters are bound to MnmA, tRNA thiolation is inhibited, making MnmA an Fe-S cluster-independent protein. We further show that 2-thiouridylase only binds to tRNA from its own organism.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139957692","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}
Pub Date : 2024-02-01DOI: 10.3390/inorganics12020049
É. A. Enyedy, Anett Giricz, Tatsiana V. Petrasheuskaya, J. Mészáros, N. May, Gabriella Spengler, F. Kovács, Barnabás Molnár, Éva Frank
Steroids are often considered valuable molecular tools for the development of anticancer agents with improved pharmacological properties. Conjugation of metal chelating moieties with a lipophilic sterane backbone is a viable option to obtain novel anticancer compounds. In this work, two estradiol-based hybrid molecules (PMA-E2 and DMA-E2) with an (N,N,O) binding motif and their Cu(II) complexes were developed. The lipophilicity, solubility, and acid-base properties of the novel ligands were determined by the combined use of UV-visible spectrophotometry, pH-potentiometry, and 1H NMR spectroscopy. The solution speciation and redox activity of the Cu(II) complexes were also investigated by means of UV-visible and electron paramagnetic resonance spectroscopy. Two structurally analogous ligands (PMAP and DMAP) were also included in the studies for better interpretation of the solution chemical data obtained. Three pKa values were determined for all ligands, revealing the order of the deprotonation steps: pyridinium-NH+ or NH(CH3)2+, secondary NH2+, and OH. The dimethylamine derivatives (DMA-E2, DMAP) are found in their H2L+ forms in solution at pH 7.4, whereas the fraction of the neutral HL species is significant (34–37%) in the case of the pyridine nitrogen-containing derivatives (PMA-E2, PMAP). Both estradiol derivatives were moderately cytotoxic in human breast (MCF-7) and colon adenocarcinoma (Colo-205) cells (IC50 = 30–63 μM). They form highly stable complexes with Cu(II) ions capable of oxidizing ascorbate and glutathione. These Cu(II) complexes are somewhat more cytotoxic (IC50 = 15–45 μM) than their corresponding ligands and show a better selectivity profile.
{"title":"Comparative Solution Equilibrium Studies on Anticancer Estradiol-Based Conjugates and Their Copper Complexes","authors":"É. A. Enyedy, Anett Giricz, Tatsiana V. Petrasheuskaya, J. Mészáros, N. May, Gabriella Spengler, F. Kovács, Barnabás Molnár, Éva Frank","doi":"10.3390/inorganics12020049","DOIUrl":"https://doi.org/10.3390/inorganics12020049","url":null,"abstract":"Steroids are often considered valuable molecular tools for the development of anticancer agents with improved pharmacological properties. Conjugation of metal chelating moieties with a lipophilic sterane backbone is a viable option to obtain novel anticancer compounds. In this work, two estradiol-based hybrid molecules (PMA-E2 and DMA-E2) with an (N,N,O) binding motif and their Cu(II) complexes were developed. The lipophilicity, solubility, and acid-base properties of the novel ligands were determined by the combined use of UV-visible spectrophotometry, pH-potentiometry, and 1H NMR spectroscopy. The solution speciation and redox activity of the Cu(II) complexes were also investigated by means of UV-visible and electron paramagnetic resonance spectroscopy. Two structurally analogous ligands (PMAP and DMAP) were also included in the studies for better interpretation of the solution chemical data obtained. Three pKa values were determined for all ligands, revealing the order of the deprotonation steps: pyridinium-NH+ or NH(CH3)2+, secondary NH2+, and OH. The dimethylamine derivatives (DMA-E2, DMAP) are found in their H2L+ forms in solution at pH 7.4, whereas the fraction of the neutral HL species is significant (34–37%) in the case of the pyridine nitrogen-containing derivatives (PMA-E2, PMAP). Both estradiol derivatives were moderately cytotoxic in human breast (MCF-7) and colon adenocarcinoma (Colo-205) cells (IC50 = 30–63 μM). They form highly stable complexes with Cu(II) ions capable of oxidizing ascorbate and glutathione. These Cu(II) complexes are somewhat more cytotoxic (IC50 = 15–45 μM) than their corresponding ligands and show a better selectivity profile.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139684583","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}
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