Pub Date : 2024-11-01Epub Date: 2024-09-05DOI: 10.1016/j.jscs.2024.101930
Dameng Gao , Jiawei Liang , Lin Hong , Dan Zheng , Zhi Yang , Jiren Wang
This study employs the grand canonical ensemble Monte Carlo (GCMC) method to investigate the effect of small-molecule organic matter on methane adsorption in anthracite. Specifically, the adsorption characteristics of methane in anthracite are analyzed considering the type and concentration of single-component and multi-component small-molecular organic matter, alongside parameters such as adsorption heat, adsorption potential energy, interaction energy, and charge transfer amount. Results indicate that methane adsorption exhibits physical adsorption behavior, with adsorption heat decreasing with increasing temperature and adsorption potential energy inversely correlated with adsorption capacity. The influence of different types and concentrations of small-molecular organic matter on methane adsorption varies. The presence of small-molecular organic matter alters the charge transfer amount of methane, with a greater absolute value corresponding to enhanced anthracite adsorption capacity. The interaction hierarchy among single-component small-molecule organic compounds and methane is as follows: methyl benzene > tetrahydrofuran > n-hexane. Additionally, in the presence of multi-component small-molecule organic matter, the simultaneous occurrence of methyl benzene and n-hexane or tetrahydrofuran inhibits adsorption due to chemical reactions.
{"title":"Effect of small-molecule organic matter on methane adsorption in anthracite","authors":"Dameng Gao , Jiawei Liang , Lin Hong , Dan Zheng , Zhi Yang , Jiren Wang","doi":"10.1016/j.jscs.2024.101930","DOIUrl":"10.1016/j.jscs.2024.101930","url":null,"abstract":"<div><p>This study employs the grand canonical ensemble Monte Carlo (GCMC) method to investigate the effect of small-molecule organic matter on methane adsorption in anthracite. Specifically, the adsorption characteristics of methane in anthracite are analyzed considering the type and concentration of single-component and multi-component small-molecular organic matter, alongside parameters such as adsorption heat, adsorption potential energy, interaction energy, and charge transfer amount. Results indicate that methane adsorption exhibits physical adsorption behavior, with adsorption heat decreasing with increasing temperature and adsorption potential energy inversely correlated with adsorption capacity. The influence of different types and concentrations of small-molecular organic matter on methane adsorption varies. The presence of small-molecular organic matter alters the charge transfer amount of methane, with a greater absolute value corresponding to enhanced anthracite adsorption capacity. The interaction hierarchy among single-component small-molecule organic compounds and methane is as follows: methyl benzene > tetrahydrofuran > n-hexane. Additionally, in the presence of multi-component small-molecule organic matter, the simultaneous occurrence of methyl benzene and n-hexane or tetrahydrofuran inhibits adsorption due to chemical reactions.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101930"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S131961032400125X/pdfft?md5=aef1a11b311fd242a76e92f2d4fa25fa&pid=1-s2.0-S131961032400125X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-09-03DOI: 10.1016/j.jscs.2024.101928
Fei Jin , Feng Peng , Wen-Rui Li , Jian-Qi Chai , Min Chen , Ai-Min Lu , Chun-Long Yang , Ming-Guo Zhou
In search of innovative antifungal solutions for the control of plant diseases, a series of cyanoacrylate derivatives containing naphthalene groups were designed and synthesized, and their inhibition activity against four plant pathogenic fungi was evaluated. The results of in vitro bioassay revealed that some target compounds possessed obvious antifungal effect against Fusarium graminearum. As the most prominent one, compound A2 showed a inhibition rate of 98.46 % at 10 µg/mL and an EC50 value of 0.26 µg/mL, which was close to that of the positive control phenamacril (with a inhibition rate of 100 % at 10 µg/mL and EC50 value of 0.14 µg/mL). The compound A2 also markedly inhibited the growth of F. graminearum inoculated on rice leaves at 200 μg/mL with the protective and curative efficiencies of 89.03 % and 90.91 %, respectively, which were close to that of the positive control phenamacril (with the protective and curative efficiencies of 94.54 % and 96.36 %, respectively). The observation under scanning electron microscopy and measurement of relative conductivity revealed that compound A2 caused the hyphal surface become shrunken and rough, and made the cell membrane permeability increased. Molecular docking and molecular dynamics simulation analyses showed that compound A2 interacted with the key residues in the active site of myosin-5 in a similar mode as phenamacril. These results suggested that target compounds were potential myosin-5 inhibitors, they could serve as the lead compounds for further structural optimization to develop new fungicides against F. graminearum.
{"title":"Design, synthesis, and antifungal activity of novel cyanoacrylate derivatives containing a naphthalene moiety as potential myosin-5 inhibitor","authors":"Fei Jin , Feng Peng , Wen-Rui Li , Jian-Qi Chai , Min Chen , Ai-Min Lu , Chun-Long Yang , Ming-Guo Zhou","doi":"10.1016/j.jscs.2024.101928","DOIUrl":"10.1016/j.jscs.2024.101928","url":null,"abstract":"<div><p>In search of innovative antifungal solutions for the control of plant diseases, a series of cyanoacrylate derivatives containing naphthalene groups were designed and synthesized, and their inhibition activity against four plant pathogenic fungi was evaluated. The results of <em>in vitro</em> bioassay revealed that some target compounds possessed obvious antifungal effect against <em>Fusarium graminearum</em>. As the most prominent one, compound <strong>A2</strong> showed a inhibition rate of 98.46 % at 10 µg/mL and an EC<sub>50</sub> value of 0.26 µg/mL, which was close to that of the positive control phenamacril (with a inhibition rate of 100 % at 10 µg/mL and EC<sub>50</sub> value of 0.14 µg/mL). The compound <strong>A2</strong> also markedly inhibited the growth of <em>F. graminearum</em> inoculated on rice leaves at 200 μg/mL with the protective and curative efficiencies of 89.03 % and 90.91 %, respectively, which were close to that of the positive control phenamacril (with the protective and curative efficiencies of 94.54 % and 96.36 %, respectively). The observation under scanning electron microscopy and measurement of relative conductivity revealed that compound <strong>A2</strong> caused the hyphal surface become shrunken and rough, and made the cell membrane permeability increased. Molecular docking and molecular dynamics simulation analyses showed that compound <strong>A2</strong> interacted with the key residues in the active site of myosin-5 in a similar mode as phenamacril. These results suggested that target compounds were potential myosin-5 inhibitors, they could serve as the lead compounds for further structural optimization to develop new fungicides against <em>F. graminearum</em>.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101928"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001236/pdfft?md5=ac0a26afb1117918b62f51bd2061c09c&pid=1-s2.0-S1319610324001236-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-11-28DOI: 10.1016/j.jscs.2024.101955
Yunyan Wu , Ting Tan , Caihong Song , Xing Liu
Solar photocatalytic hydrogen evolution from water splitting has been recognized as a promising hydrogen production technology, the development of efficient, cheap, and practical new photocatalysts is the key to realizing this technology. Compared with semiconductor photocatalysts, polymeric photocatalysts have emerged due to their high structural diversity and adjustable band gaps. The synthesis process of the polymeric photocatalysts is generally complicated, and the reaction conditions are also harsh (such as oxygen free, using catalyst). In this work, melamine-based polymers (MP-1 and MP-2) were synthesized by a simple one-step hydrothermal method using melamine (MA) and p-phthalaldehyde (PPA) as precursors under air atmosphere without any additives. MP-1 and MP-2 display photocatalytic H2 evolution from water splitting in the presence of Pt as a co-catalyst and TEOA as a sacrificial hole scavenger. The effect of different structure of polymers on photocatalytic H2 evolution was discussed. The hydrogen evolution rate of MP-1 is 1784.2 umol·h−1·g−1, distinctly higher than that of MP-2 (1139.8 umol·h−1·g−1). The separation and migration of photoinduced carriers for MP-1 and MP-2 were investigated by electrochemical measurements and PL. It is thought that the imine (–C = N–) structure of MP-1 has a good conjugated system, which could generate more photoinduced electron-hole pairs under light excitation, and the charge migration is also more facile, compared with the aminal structure (–N–C–N–) of MP-2. This study is expected to contribute toward the development of “green hydrogen” using solar photocatalysis over synthetically facile polymeric photocatalysts.
太阳能光催化水裂解析氢已被公认为一种很有前途的制氢技术，开发高效、廉价、实用的新型光催化剂是实现该技术的关键。与半导体光催化剂相比，聚合物光催化剂因其结构多样性高和带隙可调而得到广泛应用。聚合光催化剂的合成过程一般比较复杂，反应条件也比较苛刻（如无氧、使用催化剂等）。本文以三聚氰胺（MA）和对邻苯二醛（PPA）为前驱体，在无添加剂的空气气氛下，采用简单一步水热法合成了三聚氰胺基聚合物（MP-1和MP-2）。MP-1和MP-2在Pt作为助催化剂和TEOA作为牺牲孔清除剂存在下，表现出光催化氢的析出。讨论了不同聚合物结构对光催化析氢的影响。MP-1的析氢速率为1784.2 umol·h−1·g−1，明显高于MP-2的1139.8 umol·h−1·g−1。通过电化学测量和PL研究了MP-1和MP-2的光诱导载流子的分离和迁移。认为MP-1的亚胺（c = N -）结构具有良好的共轭体系，与MP-2的动物结构（- N - c - N -）相比，在光激发下可以产生更多的光诱导电子-空穴对，并且电荷迁移也更容易。该研究有望为利用太阳能光催化制备“绿色氢”而不是合成易降解聚合物光催化剂做出贡献。
{"title":"Facile hydrothermal synthesis of melamine-based polymers for photocatalytic hydrogen evolution","authors":"Yunyan Wu , Ting Tan , Caihong Song , Xing Liu","doi":"10.1016/j.jscs.2024.101955","DOIUrl":"10.1016/j.jscs.2024.101955","url":null,"abstract":"<div><div>Solar photocatalytic hydrogen evolution from water splitting has been recognized as a promising hydrogen production technology, the development of efficient, cheap, and practical new photocatalysts is the key to realizing this technology. Compared with semiconductor photocatalysts, polymeric photocatalysts have emerged due to their high structural diversity and adjustable band gaps. The synthesis process of the polymeric photocatalysts is generally complicated, and the reaction conditions are also harsh (such as oxygen free, using catalyst). In this work, melamine-based polymers (MP-1 and MP-2) were synthesized by a simple one-step hydrothermal method using melamine (MA) and <em>p</em>-phthalaldehyde (PPA) as precursors under air atmosphere without any additives. MP-1 and MP-2 display photocatalytic H<sub>2</sub> evolution from water splitting in the presence of Pt as a co-catalyst and TEOA as a sacrificial hole scavenger. The effect of different structure of polymers on photocatalytic H<sub>2</sub> evolution was discussed. The hydrogen evolution rate of MP-1 is 1784.2 umol·h<sup>−1</sup>·g<sup>−1</sup>, distinctly higher than that of MP-2 (1139.8 umol·h<sup>−1</sup>·g<sup>−1</sup>). The separation and migration of photoinduced carriers for MP-1 and MP-2 were investigated by electrochemical measurements and PL. It is thought that the imine (–C = N–) structure of MP-1 has a good conjugated system, which could generate more photoinduced electron-hole pairs under light excitation, and the charge migration is also more facile, compared with the aminal structure (–N–C–N–) of MP-2. This study is expected to contribute toward the development of “green hydrogen” using solar photocatalysis over synthetically facile polymeric photocatalysts.</div></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101955"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-09-16DOI: 10.1016/j.jscs.2024.101941
Joselito P. Labis , Hamad A. Albrithen , Muhammad Ali Shar , Abdulaziz Alhazaa , Ahmed Algarni , Mohammad A. Alduraibi , Ahamad Imran , Ahmed Mohamed El-Toni
An exceptional method of incorporating Sn ions into Zinc Oxide (ZnO) using a tandem system of Pulsed Laser Deposition (PLD) and Radio-Frequency Magnetron Sputtering (RFMS) to synthesize and functionalize ZnO nanostructures is demonstrated in this study for gas-sensing application. The RFMS power was varied up to 50 W to sputter a pure Sn metal target, while simultaneously or successively growing ZnO nanostructures on a templated MgO < 0001 > substrate and on an Au-plated Al2O3 gas sensor, via PLD process at the substrate temperature of 700 °C in 100–500 millitorr oxygen/argon gas background. The morphologies of the grown Sn-ZnO nanostructures were characterized by Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), and X-ray Diffraction (XRD), and while their chemical/oxidation states and optical properties were analyzed by X-ray photospectroscopy (XPS) and photoluminescence (PL), respectively. For simultaneous deposition, the resulting (0002)-dominated 2D grain-like ZnO nanostructures were influenced by the interaction of the dynamic PLD plasma with static RFMS plasma at different powers. For successive growth, at 50 W-RF power, a remarkable increase in the sensor response to 50-ppm carbon monoxide (CO) gas was observed at 250 °C, which could be attributed to the creation of more adsorption sites in the Sn-ZnO depletion region caused by the replacement of some Zn sites with Sn ions in the ZnO matrix. This study, therefore, exhibits the viability of this hybrid system to design, synthesize, and functionalize Sn-ZnO nanomaterials, either by simultaneous/successive deposition, for gas-sensing applications.
{"title":"Synthesis of Sn-ZnO nanostructures on MgO<0001> by hybrid pulsed laser ablation and RF magnetron sputtering tandem system for CO gas-sensing application","authors":"Joselito P. Labis , Hamad A. Albrithen , Muhammad Ali Shar , Abdulaziz Alhazaa , Ahmed Algarni , Mohammad A. Alduraibi , Ahamad Imran , Ahmed Mohamed El-Toni","doi":"10.1016/j.jscs.2024.101941","DOIUrl":"10.1016/j.jscs.2024.101941","url":null,"abstract":"<div><p>An exceptional method of incorporating Sn ions into Zinc Oxide (ZnO) using a tandem system of Pulsed Laser Deposition (PLD) and Radio-Frequency Magnetron Sputtering (RFMS) to synthesize and functionalize ZnO nanostructures is demonstrated in this study for gas-sensing application. The RFMS power was varied up to 50 W to sputter a pure Sn metal target, while simultaneously or successively growing ZnO nanostructures on a templated MgO < 0001 > substrate and on an Au-plated Al<sub>2</sub>O<sub>3</sub> gas sensor, via PLD process at the substrate temperature of 700 °C in 100–500 millitorr oxygen/argon gas background. The morphologies of the grown Sn-ZnO nanostructures were characterized by Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), and X-ray Diffraction (XRD), and while their chemical/oxidation states and optical properties were analyzed by X-ray photospectroscopy (XPS) and photoluminescence (PL), respectively. For simultaneous deposition, the resulting (0002)-dominated 2D grain-like ZnO nanostructures were influenced by the interaction of the dynamic PLD plasma with static RFMS plasma at different powers. For successive growth, at 50 W-RF power, a remarkable increase in the sensor response to 50-ppm carbon monoxide (CO) gas was observed at 250 °C, which could be attributed to the creation of more adsorption sites in the Sn-ZnO depletion region caused by the replacement of some Zn sites with Sn ions in the ZnO matrix. This study, therefore, exhibits the viability of this hybrid system to design, synthesize, and functionalize Sn-ZnO nanomaterials, either by simultaneous/successive deposition, for gas-sensing applications.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101941"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001364/pdfft?md5=fc3853e1510a40089b4ca396d1eceb54&pid=1-s2.0-S1319610324001364-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142270773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
One of the most important ways to practice environmental stewardship is to turn waste materials into useful nanomaterials through ecological recycling. This work introduces a magnetic organocatalyst made from red mud waste, adding to the “greening” of global chemical processes.
The new composite (Fe3O4@SiO2@(CH2)3@4-(2-Aminoethyl)-morpholine) is introduced and characterized by different spectroscopic methods such as fourier transform infrared (FT-IR), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), mapping, thermogravimetric analysis (TGA) and vibrating-sample magnetometers (VSM). Catalytic activity of the catalyst was evaluated in production of some polyhydroquinoline derivatives and the results showed efficiency. Nine polyhydroquinoline derivatives were synthesized (M1-M9) and their cytotoxic properties evaluated against two human-cancerous cell lines (Hep-G2 and SW480) by MTT assay. Most of the compounds exhibited high inhibitory activity against two studied cell lines. M2 bearing 2-chloro substitution on phenyl ring was exhibited appropriate activity (IC50 = 14.70 ± 3.11 µM) against SW480 cell line in comparison to cisplatin as positive control.
{"title":"Preparation of a new reusable magnetic organocatalyst to synthesis of polyhydroquinoline derivatives as cytotoxic Agents: Synthesis and biological evaluation","authors":"Leila Amiri-Zirtol , Ali Yargholi , Leila Emami , Zahra Karimi , Soghra Khabnadideh","doi":"10.1016/j.jscs.2024.101922","DOIUrl":"10.1016/j.jscs.2024.101922","url":null,"abstract":"<div><p>One of the most important ways to practice environmental stewardship is to turn waste materials into useful nanomaterials through ecological recycling. This work introduces a magnetic organocatalyst made from red mud waste, adding to the “greening” of global chemical processes.</p><p>The new composite (Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@(CH<sub>2</sub>)<sub>3</sub>@4-(2-Aminoethyl)-morpholine) is introduced and characterized by different spectroscopic methods such as fourier transform infrared (FT-IR), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), mapping, thermogravimetric analysis (TGA) and vibrating-sample magnetometers (VSM). Catalytic activity of the catalyst was evaluated in production of some polyhydroquinoline derivatives and the results showed efficiency. Nine polyhydroquinoline derivatives were synthesized <strong>(M<sub>1</sub>-M<sub>9</sub>)</strong> and their cytotoxic properties evaluated against two human-cancerous cell lines (Hep-G2 and SW480) by MTT assay. Most of the compounds exhibited high inhibitory activity against two studied cell lines. M<sub>2</sub> bearing 2-chloro substitution on phenyl ring was exhibited appropriate activity (IC<sub>50</sub> = 14.70 ± 3.11 µM) against SW480 cell line in comparison to cisplatin as positive control.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101922"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001170/pdfft?md5=265ba793683f4d8c79222937e4cae60e&pid=1-s2.0-S1319610324001170-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164135","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-10-05DOI: 10.1016/j.jscs.2024.101948
Norah Alwadai , Ahmed S. Al-Fatesh , Kenit Acharya , Abdulaziz A.M. Abahussain , Salma A. Al-Zahrani , Anis H. Fakeeha , Naif Alarifi , Khaled M. Banabdwin , Ahmed A. Ibrahim , Rawesh Kumar
Partial oxidation of methane (POM) is a promising route for hydrogen production, and achieving a high H2 yield with an H2/CO ratio >3 is highly appealing. Optimization of Ni/Co ratios over Ce-Sc-ZrO2 (CSZ) is investigated for POM reaction and characterized by X-ray diffraction, Raman spectroscopy, temperature-programmed reduction/oxidation/desorption, and transmission electron microscopy. The active site derived from the reduction of “strongly interacted NiO” is responsible for the dissociation of C–H (of CH4), resulting high activity towards POM. 5Ni/CSZ has the highest amount of such active sites and attains the highest activity. 5Co/CSZ catalyst has cobalt-based active sites, and there is an inert carbon deposit during the reaction, causing the least activity. 3.75 wt% Ni and 1.25 wt% Co combination over CSZ support surges the highest density of basicity, oxide vacancy, and adequate amount of active sites derived from “strongly interacted NiO”. The active sites with enhanced metal-support interaction are further grown under exposure to oxidizing gas (O2) and reducing gas (H2) during the POM reaction. The highest density of basicity and oxide vacancy involves more CO2 and H2O in the sequential oxidation of CH4 under indirect pathways. The exclusive involvement of indirect pathways of POM and inhibition of hydrogen consuming reaction (like reverse water gas shift reaction) over 3.75Ni1.25Co/CSZ results into 48 % H2 yield and 3.26 H2/CO ratio up to 24 h time on stream at 600 °C. The H2 yield doubles to ∼97 %, and the H2/CO ratio comes close to 2 over 3.75Ni1.25Co/CSZ catalyst at 900 °C.
{"title":"Effect of Ni/Co ratio on Ce-Sc-ZrO2 catalysts for selective H2 production via methane partial oxidation","authors":"Norah Alwadai , Ahmed S. Al-Fatesh , Kenit Acharya , Abdulaziz A.M. Abahussain , Salma A. Al-Zahrani , Anis H. Fakeeha , Naif Alarifi , Khaled M. Banabdwin , Ahmed A. Ibrahim , Rawesh Kumar","doi":"10.1016/j.jscs.2024.101948","DOIUrl":"10.1016/j.jscs.2024.101948","url":null,"abstract":"<div><div>Partial oxidation of methane (POM) is a promising route for hydrogen production, and achieving a high H<sub>2</sub> yield with an H<sub>2</sub>/CO ratio >3 is highly appealing. Optimization of Ni/Co ratios over Ce-Sc-ZrO<sub>2</sub> (CSZ) is investigated for POM reaction and characterized by X-ray diffraction, Raman spectroscopy, temperature-programmed reduction/oxidation/desorption, and transmission electron microscopy. The active site derived from the reduction of “strongly interacted NiO” is responsible for the dissociation of C–H (of CH<sub>4</sub>), resulting high activity towards POM. 5Ni/CSZ has the highest amount of such active sites and attains the highest activity. 5Co/CSZ catalyst has cobalt-based active sites, and there is an inert carbon deposit during the reaction, causing the least activity. 3.75 wt% Ni and 1.25 wt% Co combination over CSZ support surges the highest density of basicity, oxide vacancy, and adequate amount of active sites derived from “strongly interacted NiO”. The active sites with enhanced metal-support interaction are further grown under exposure to oxidizing gas (O<sub>2</sub>) and reducing gas (H<sub>2</sub>) during the POM reaction. The highest density of basicity and oxide vacancy involves more CO<sub>2</sub> and H<sub>2</sub>O in the sequential oxidation of CH<sub>4</sub> under indirect pathways. The exclusive involvement of indirect pathways of POM and inhibition of hydrogen consuming reaction (like reverse water gas shift reaction) over 3.75Ni1.25Co/CSZ results into 48 % H<sub>2</sub> yield and 3.26 H<sub>2</sub>/CO ratio up to 24 h time on stream at 600 °C. The H<sub>2</sub> yield doubles to ∼97 %, and the H<sub>2</sub>/CO ratio comes close to 2 over 3.75Ni1.25Co/CSZ catalyst at 900 °C.</div></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101948"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-10-13DOI: 10.1016/j.jscs.2024.101949
Abeer Abdulaziz H. Bukhari
Vanadium metal–organic frameworks (V-MOF) has a great potential to remove contaminants from water that come from agriculture wastewater methyl parathion (MP) pesticides with high effectiveness. Using a variety of methods, such as SEM, FT-IR, XPS), XRD, and BET analysis, the adsorbent was successfully synthesized and characterized. The dimensions of the pores measured at 1.33 nm correspond to the classification of micropores under the IUPAC system. Before the adsorption process, the material had a surface area of 1489.42 m2/g and a pore volume of 0.98 cc/g. After MP adsorption, the surface area, pore size, and pore volume decreased to 1268.42 m2/g, 1.12 nm, and 0.64 cc/g, respectively. Changes in the material’s physical properties indicate that the adsorption process had an effect. 7.2 was the result of controlling the point of zero charge through surface characterization. This information suggests that the surface of the adsorbent has a positive charge at pH below 7.2 and at the pH higher than this value the surface will have a negative charge. It was also looked into how pH affected the adsorption equilibrium. Although fitting to Langmuir isothermally, the kinetics of MP adsorption onto V-MOF are pseudo-second-order fitting. It is very probable that chemisorption was the mode of adsorption because the adsorption energy was 23.62 kJ.mol−1. The enthalpy (ΔHo) values obtained as a result of studying the thermodynamic parameters are positive, demonstrating that, within this temperature range, the pesticide adsorption process was endothermic., measuring 32.79 kJ.mol−1. Entropy (ΔSo) readings that are positive indicate that the system’s randomness increased during the adsorption process, reaching 119 J.mol−1K−1, and with rising temperatures, the negative of ΔGo rise. The effectiveness of the recommended adsorbent was evaluated by filtering wastewater samples in a laboratory environment. It is hypothesized that V-MOF and MP will interact by pore filling, π-π interaction, H-bonding, electrostatic contact, and other possible methods. Considering the specifics of this interaction in great detail is essential to comprehending the nature of adsorption and effectively constructing the adsorbent for use in real-world applications. Water filtering and the treatment of industrial effluents were made simple and effective by the use of V-MOF adsorbent technology. The results indicated that 383.6 mg/g was the maximal adsorption capacity at pH = 6. To evaluate the renewal of the adsorbent, more tests were carried out, and the outcomes showed that the renewal continued even after more than six cycles. The stability of the adsorbent during regeneration was confirmed by using XRD and FT-IR. The Box Behnken design (BBD) was then employed to optimize the adsorption outcomes.
{"title":"Development and assessment of vanadium-based metal–organic frameworks for the effective elimination of hazardous pesticides from aqueous solutions: Mechanism of uptake, adsorption capacities, rate of uptake, and enhancement via the Box-Behnken design","authors":"Abeer Abdulaziz H. Bukhari","doi":"10.1016/j.jscs.2024.101949","DOIUrl":"10.1016/j.jscs.2024.101949","url":null,"abstract":"<div><div>Vanadium metal–organic frameworks (V-MOF) has a great potential to remove contaminants from water that come from agriculture wastewater methyl parathion (MP) pesticides with high effectiveness. Using a variety of methods, such as SEM, FT-IR, XPS), XRD, and BET analysis, the adsorbent was successfully synthesized and characterized. The dimensions of the pores measured at 1.33 nm correspond to the classification of micropores under the IUPAC system. Before the adsorption process, the material had a surface area of 1489.42 m<sup>2</sup>/g and a pore volume of 0.98 cc/g. After MP adsorption, the surface area, pore size, and pore volume decreased to 1268.42 m<sup>2</sup>/g, 1.12 nm, and 0.64 cc/g, respectively. Changes in the material’s physical properties indicate that the adsorption process had an effect. 7.2 was the result of controlling the point of zero charge through surface characterization. This information suggests that the surface of the adsorbent has a positive charge at pH below 7.2 and at the pH higher than this value the surface will have a negative charge. It was also looked into how pH affected the adsorption equilibrium. Although fitting to Langmuir isothermally, the kinetics of MP adsorption onto V-MOF are pseudo-second-order fitting. It is very probable that chemisorption was the mode of adsorption because the adsorption energy was 23.62 kJ.mol<sup>−1</sup>. The enthalpy (ΔH<sup>o</sup>) values obtained as a result of studying the thermodynamic parameters are positive, demonstrating that, within this temperature range, the pesticide adsorption process was endothermic., measuring 32.79 kJ.mol<sup>−1</sup>. Entropy (ΔS<sup>o</sup>) readings that are positive indicate that the system’s randomness increased during the adsorption process, reaching 119 J.mol<sup>−1</sup>K<sup>−1</sup>, and with rising temperatures, the negative of ΔG<sup>o</sup> rise. The effectiveness of the recommended adsorbent was evaluated by filtering wastewater samples in a laboratory environment. It is hypothesized that V-MOF and MP will interact by pore filling, π-π interaction, H-bonding, electrostatic contact, and other possible methods. Considering the specifics of this interaction in great detail is essential to comprehending the nature of adsorption and effectively constructing the adsorbent for use in real-world applications. Water filtering and the treatment of industrial effluents were made simple and effective by the use of V-MOF adsorbent technology. The results indicated that 383.6 mg/g was the maximal adsorption capacity at pH = 6. To evaluate the renewal of the adsorbent, more tests were carried out, and the outcomes showed that the renewal continued even after more than six cycles. The stability of the adsorbent during regeneration was confirmed by using XRD and FT-IR. The Box Behnken design (BBD) was then employed to optimize the adsorption outcomes.</div></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101949"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-09-26DOI: 10.1016/j.jscs.2024.101946
Liang Guo , Shijin Zhou , Yanju Liu , Huaixia Yang , Mingsan Miao , Wei Gao
Herein, a sandwich electrochemical sensing strategy for aflatoxin b1 (AFB1) detection based on hybrid-nanoengineering was presented. First, Au nanoparticle was doped into zeolitic imidazolate framework-8 (ZIF-8) to form Au@ZIF-8 by in-situ growth method, followed by multi-walled carbon nanotubes (MWCNTs) addition to synthesize MWCNTs/Au@ZIF-8 via self-assembly. The structural “confinement effect” of ZIF-8 afforded a microenvironment for Au nanoparticles and SMCNTs in a certain spatial region, giving MWCNTs/Au@ZIF-8 excellent electrochemical property as the substrate material. In addition, Au-Pt bimetallic nanoparticle, which exhibited excellent stability and catalytic activity was loaded on the hollow cerium oxide (CeO2) to form AuPt@CeO2 nanoparticle through one-step aqueous phase reduction. Owning to its high surface-to-volume ratio, satisfied electron transfer efficiency and biocompatibility, massive toluidine blue (TB) and AFB1 antibody (Ab) could be modified on the AuPt@CeO2 to form AuPt@CeO2-Ab-TB, which acted as signal tag for the ultrasensitive assay of AFB1. The proposed electrochemical sensing system exhibited wide detection range (2 × 10-5 − 20 ng/mL) and low detection limit (2.13 fg/mL), which has been successfully applied to AFB1 determination in four real samples. The hybrid nanoengineering presented in this work is an active attempt to prepare high-performance substrate material and signal tag, which provides a new insight for the development of highly sensitive and specific electrochemical sensing systems.
{"title":"Facile and controllable hybrid-nanoengineering of MWCNTs/Au@ZIF-8 and AuPt@CeO2 based sandwich electrochemical aptasensor for AFB1 determination in foods and herbs","authors":"Liang Guo , Shijin Zhou , Yanju Liu , Huaixia Yang , Mingsan Miao , Wei Gao","doi":"10.1016/j.jscs.2024.101946","DOIUrl":"10.1016/j.jscs.2024.101946","url":null,"abstract":"<div><div>Herein, a sandwich electrochemical sensing strategy for aflatoxin b<sub>1</sub> (AFB<sub>1</sub>) detection based on hybrid-nanoengineering was presented. First, Au nanoparticle was doped into zeolitic imidazolate framework-8 (ZIF-8) to form Au@ZIF-8 by in-situ growth method, followed by multi-walled carbon nanotubes (MWCNTs) addition to synthesize MWCNTs/Au@ZIF-8 via self-assembly. The structural “confinement effect” of ZIF-8 afforded a microenvironment for Au nanoparticles and SMCNTs in a certain spatial region, giving MWCNTs/Au@ZIF-8 excellent electrochemical property as the substrate material. In addition, Au-Pt bimetallic nanoparticle, which exhibited excellent stability and catalytic activity was loaded on the hollow cerium oxide (CeO<sub>2</sub>) to form AuPt@CeO<sub>2</sub> nanoparticle through one-step aqueous phase reduction. Owning to its high surface-to-volume ratio, satisfied electron transfer efficiency and biocompatibility, massive toluidine blue (TB) and AFB<sub>1</sub> antibody (Ab) could be modified on the AuPt@CeO<sub>2</sub> to form AuPt@CeO<sub>2</sub>-Ab-TB, which acted as signal tag for the ultrasensitive assay of AFB<sub>1</sub>. The proposed electrochemical sensing system exhibited wide detection range (2 × 10<sup>-5</sup> − 20 ng/mL) and low detection limit (2.13 fg/mL), which has been successfully applied to AFB<sub>1</sub> determination in four real samples. The hybrid nanoengineering presented in this work is an active attempt to prepare high-performance substrate material and signal tag, which provides a new insight for the development of highly sensitive and specific electrochemical sensing systems.</div></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101946"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-11-05DOI: 10.1016/j.jscs.2024.101952
Aphinya Thinthasit , Elvaro Islami Muryadi , Syamsun Jaya , David Nugroho , Saksit Chanthai , Rachadaporn Benchawattananon
This research presents an innovative multifunctional reagent consisting of dichlorofluorescein-doped carbon dots (CDs-DC) generated from fresh coconut water by a hydrothermal method. This work’s innovation resides in the simultaneous application of CDs-DC for latent fingerprint detection on nonporous surfaces and improved antibacterial efficacy. The incorporation of dichlorofluorescein into the CDs matrix enhances photoluminescent characteristics and improves antibacterial effectiveness against Gram-positive and Gram-negative bacteria (Escherichia coli, Serratia marcescens, Bacillus megaterium, Staphylococcus aureus). The addition of a starch matrix significantly strengthened this combination, enhancing the adherence and recognition of complex fingerprint patterns under UV light. Furthermore, the CDs-DC demonstrated significant reactive oxygen species (ROS) production, enhancing their antibacterial efficacy. This dual-functional device represents a notable progression in forensic science and antibacterial technology, establishing itself as a sustainable and highly efficient instrument for these purposes.
{"title":"Enhanced antibacterial testing and latent fingerprint detection using dichlorofluorescein-doped carbon dots","authors":"Aphinya Thinthasit , Elvaro Islami Muryadi , Syamsun Jaya , David Nugroho , Saksit Chanthai , Rachadaporn Benchawattananon","doi":"10.1016/j.jscs.2024.101952","DOIUrl":"10.1016/j.jscs.2024.101952","url":null,"abstract":"<div><div>This research presents an innovative multifunctional reagent consisting of dichlorofluorescein-doped carbon dots (CDs-DC) generated from fresh coconut water by a hydrothermal method. This work’s innovation resides in the simultaneous application of CDs-DC for latent fingerprint detection on nonporous surfaces and improved antibacterial efficacy. The incorporation of dichlorofluorescein into the CDs matrix enhances photoluminescent characteristics and improves antibacterial effectiveness against Gram-positive and Gram-negative bacteria (<em>Escherichia coli</em>, <em>Serratia marcescens</em>, <em>Bacillus megaterium</em>, <em>Staphylococcus aureus)</em>. The addition of a starch matrix significantly strengthened this combination, enhancing the adherence and recognition of complex fingerprint patterns under UV light. Furthermore, the CDs-DC demonstrated significant reactive oxygen species (ROS) production, enhancing their antibacterial efficacy. This dual-functional device represents a notable progression in forensic science and antibacterial technology, establishing itself as a sustainable and highly efficient instrument for these purposes.</div></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101952"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-01Epub Date: 2024-09-06DOI: 10.1016/j.jscs.2024.101931
Song Il Han, Song Hyok Jon, Un Hyang Kim, Gang Hyok Kim, Sang Mo Jon
Sulfonated poly (ether ether ketone) (SPEEK) ion exchange membranes for VRFB are promising alternatives to Nafion, but require improved mechanical and chemical stability for long-term operation. Here, we have fabricated composite membranes using SPEEK as proton conductive medium and TiO2 nanopapers as reinforcing framework to improve the mechanical and chemical stabilities of SPEEK membranes. The SPEEK/TiO2 nanopaper composite membranes exhibited almost twice the tensile strength and only one-third the vanadium ion permeability compared to pristine SPEEK (DS=60 %). Due to the excellent cell performance such as high EE, slow capacity degradation and long-term lifetime, these high durable composite membranes could be found their potential use as ion exchange membranes for commercial VRFBs.
{"title":"High durable SPEEK/TiO2 nanopaper composite membrane for vanadium redox flow battery","authors":"Song Il Han, Song Hyok Jon, Un Hyang Kim, Gang Hyok Kim, Sang Mo Jon","doi":"10.1016/j.jscs.2024.101931","DOIUrl":"10.1016/j.jscs.2024.101931","url":null,"abstract":"<div><p>Sulfonated poly (ether ether ketone) (SPEEK) ion exchange membranes for VRFB are promising alternatives to Nafion, but require improved mechanical and chemical stability for long-term operation. Here, we have fabricated composite membranes using SPEEK as proton conductive medium and TiO<sub>2</sub> nanopapers as reinforcing framework to improve the mechanical and chemical stabilities of SPEEK membranes. The SPEEK/TiO<sub>2</sub> nanopaper composite membranes exhibited almost twice the tensile strength and only one-third the vanadium ion permeability compared to pristine SPEEK (DS=60 %). Due to the excellent cell performance such as high EE, slow capacity degradation and long-term lifetime, these high durable composite membranes could be found their potential use as ion exchange membranes for commercial VRFBs.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 6","pages":"Article 101931"},"PeriodicalIF":5.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324001261/pdfft?md5=8fbb588597f96e1f8e783317eeca9d06&pid=1-s2.0-S1319610324001261-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142172952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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