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The effect of Co loading on the performance of Co2P/MgO catalysts for dry reforming of methane Co负载对甲烷干重整Co2P/MgO催化剂性能的影响
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-06 DOI: 10.1080/10426507.2025.2586128
Jiyao Dong (Investigation Supervision Writing – original draft) , Yuchao Cui (Data curation Formal analysis Supervision) , Dianting Gong (Data curation Investigation Supervision Writing – original draft) , Zhiwei Yao (Conceptualization Funding acquisition Writing – review & editing)
A series of MgO-supported cobalt phosphide catalysts (CoP-5, CoP-15, CoP-30, and CoP-45) with varying cobalt loadings (5–45 wt%) were synthesized for methane dry reforming (DRM). The CoP-30 showed the highest initial activity due to its optimal balance of Co loading, surface area and particle size, while CoP-45 exhibited superior long-term stability owing to enhanced coking resistance from a lower ratio of CH4 and CO2 dissociation rates. These findings provided insights for designing efficient and stable DRM catalysts.
合成了一系列不同钴负载量(5-45 wt%)的mgo负载磷化钴催化剂(CoP-5、CoP-15、CoP-30和CoP-45)用于甲烷干重整(DRM)。由于Co负荷、表面积和粒径的最佳平衡,CoP-30表现出最高的初始活性,而CoP-45表现出优异的长期稳定性,因为较低的CH4和CO2解离率提高了抗结焦性。这些发现为设计高效、稳定的DRM催化剂提供了参考。
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引用次数: 0
One pot synthesis of chromene derivatives by using amine-functionalized nanozeolite (ZS-DABCO NPs) as a heterogeneous and reusable catalyst 以胺功能化纳米沸石(ZS-DABCO NPs)为多相可重复使用催化剂,一锅法合成铬胺衍生物
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-05 DOI: 10.1080/10426507.2025.2585101
Hamed Ghahremani (Funding acquisition Methodology) , Navabeh Nami (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Software Supervision Writing – original draft Writing – review & editing) , Reza Yousefi (Data curation Formal analysis Investigation)
In this study, we report the synthesis and application of a novel basic nanocatalyst, ZS-DABCO NPs, prepared by functionalizing NaY nanozeolite with 3-chloropropyl trimethoxy silane followed by diazabicyclo[2.2.2]octane (DABCO). The catalyst was thoroughly characterized by FT-IR, XRD, CHN, DTA, TGA, TEM, and SEM analyses. ZS-DABCO NPs was successfully employed as an efficient and environmentally friendly catalyst for the one-pot, three-component synthesis of 2-amino-4H-chromene derivatives from dimedone, aromatic aldehydes, and malononitrile (or ethyl cyanoacetate) in ethanol under mild conditions. Optimization studies revealed that using 30 mg of catalyst in ethanol at room temperature provided the best yields, while comparative studies with other catalysts confirmed the superior performance of ZS-DABCO NPs in terms of yield, reaction time, and ease of recovery. The catalyst demonstrated excellent recyclability, maintaining its activity over six consecutive runs without significant loss of efficiency. Structural elucidation of the synthesized compounds was confirmed using NMR and IR spectroscopy. This work offers a simple, rapid, high-yielding, and green methodology for the synthesis of chromene derivatives, expanding the scope of clean organic transformations.
在这项研究中,我们报道了一种新型的碱性纳米催化剂ZS-DABCO NPs的合成和应用,该纳米催化剂是由3-氯丙基三甲氧基硅烷和重氮杂环[2.2.2]辛烷(DABCO)功能化NaY纳米沸石制备的。通过FT-IR、XRD、CHN、DTA、TGA、TEM、SEM等分析对催化剂进行了表征。ZS-DABCO NPs作为一种高效、环保的催化剂,在温和条件下,以二米酮、芳香醛和丙二腈(或氰乙酸乙酯)为原料,在乙醇中一锅法合成了2-氨基- 4h -铬衍生物。优化研究表明,在室温条件下,在乙醇中使用30 mg催化剂的产率最高,而与其他催化剂的比较研究证实了ZS-DABCO NPs在产率、反应时间和易回收性方面的优越性能。该催化剂表现出优异的可回收性,在连续六次运行中保持其活性而没有明显的效率损失。利用核磁共振和红外光谱对合成的化合物进行了结构分析。这项工作为铬衍生物的合成提供了一种简单、快速、高产、绿色的方法,扩大了清洁有机转化的范围。
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引用次数: 0
Ultrasound-promoted one-pot synthesis of α-aminophosphonates: X-ray crystallographic study and biological screening 超声促进α-氨基膦酸盐的一锅合成:x射线晶体学研究和生物学筛选
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-05 DOI: 10.1080/10426507.2025.2584184
Imene Sehout (Conceptualization Visualization) , Kawther Badaoui (Investigation Writing – original draft) , Hasan Kucukbay (Methodology Validation) , Sara Nemouchi (Investigation) , Lamia Bendjeddou (Investigation Validation Writing – original draft) , Chawki Bensouici (Investigation Validation) , Ali Debbi (Investigation) , Thierry Roisnel (Investigation Software) , Raouf Boulcina (Supervision) , Abdelmadjid Debache (Project administration)
A green and efficient approach was developed for the synthesis of twenty-three α-aminophosphonate derivatives (4a-4v) via the Kabachnik–Fields reaction, using acetylsalicylic acid as a novel eco-friendly Brønsted acid catalyst under ultrasound irradiation and solvent-free conditions. The target compounds were obtained in moderate to excellent yields (43 - 91%) and were structurally characterized by FTIR, 1H NMR, 13C NMR, and single-crystal X-ray diffraction analysis. Notably, the crystal structure of compound 4c was elucidated by X-ray diffraction, providing detailed molecular and supramolecular insights. The antioxidant activity of the synthesized compounds was evaluated through four in vitro assays (DPPH, ABTS, FRAP, and phenanthroline), with compounds 4a, 4c, 4d, and 4k demonstrating significant potency. Additionally, antifungal activity was assessed against Fusarium oxysporum f. sp. lycopersici, with compound 4t exhibiting the highest inhibitory effect.
以乙酰水杨酸为催化剂,在超声辐照和无溶剂条件下,通过Kabachnik-Fields反应合成了23种α-氨基膦酸衍生物(4a-4v)。目标化合物的产率为43 ~ 91%,并通过FTIR、1H NMR、13C NMR和单晶x射线衍射分析对其进行了结构表征。值得注意的是,化合物4c的晶体结构通过x射线衍射被阐明,提供了详细的分子和超分子的见解。通过四种体外实验(DPPH、ABTS、FRAP和phenanthroline)评估合成化合物的抗氧化活性,化合物4a、4c、4d和4k显示出显著的效力。此外,化合物4t对番茄尖孢镰刀菌(Fusarium oxysporum f. sp. lycopersici)的抑菌活性也进行了评价,其中化合物4t抑菌效果最好。
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引用次数: 0
Investigation of the reactions of 1-halo-1-nitroocyclohexanes with some –SH functionalized carboxylic acids derivatives 1-卤-1-硝基环己烷与一些-SH官能化羧酸衍生物反应的研究
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-04 DOI: 10.1080/10426507.2025.2584187
Egor I. Seleznev (Conceptualization Data curation Formal analysis Investigation Methodology Visualization Writing – original draft) , Emil Yu. Yamansarov (Conceptualization Data curation Project administration Supervision Writing – review & editing) , Elena K. Beloglazkina (Resources Supervision Writing – review & editing)
Substitution reactions of 1-halo-1-nitrocyclohexanes with thioglycolic acid and cysteine derivatives were investigated. Readily available 1-bromo-1-nitrocompounds exhibit good stability and superior reactivity compared to other halogenides, enabling the formation of corresponding α-nitrosulfides and disulfides.
研究了1-卤-1-硝基环己烷与巯基乙酸及半胱氨酸衍生物的取代反应。与其他卤化物相比,1-溴-1-硝基化合物具有良好的稳定性和较强的反应活性,可形成相应的α-硝基硫化物和二硫化物。
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引用次数: 0
Novel carvacrol derivatives containing a thiosemicarbazide moiety: As potential antioxidants and α-glucosidase inhibitors 含有巯基氨基脲部分的新型香芹酚衍生物:作为潜在的抗氧化剂和α-葡萄糖苷酶抑制剂
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-03 DOI: 10.1080/10426507.2025.2581743
Pei Li (Funding acquisition Project administration Writing – original draft Writing – review & editing) , Wenting Mei (Data curation Methodology Writing – original draft) , Yongxiang Wu (Data curation Methodology) , Wenmin Pan (Data curation Methodology Software) , You Zhang (Data curation Methodology Software) , Xiang Wang (Funding acquisition Project administration Writing – review & editing)
In this study, using the plant-derived active compound carvacrol as the lead structure, a series of carvacrol derivatives incorporating a thiosemicarbazide moiety were synthesized and their structures were characterized by 1H NMR,13C NMR, and HRMS. Subsequently, the in vitro antioxidant and α-glucosidase inhibitory activities of these compounds were evaluated. The bioassay results indicated that the target compounds exhibited certain in vitro antioxidant and α-glucosidase inhibitory activities. Among them, compound 2-(2-(5-isopropyl-2-methylphenoxy)acetyl)-N-phenylhydrazine-1-carbothioamide (4i) displayed the most potent in vitro antioxidant activity, with IC50 values of 4.98 μg/mL for DPPH scavenging activity and 2.34 μg/mL for ABTS scavenging activity, which were superior to those of vitamin C and trolox. Meanwhile, compound N-(4-fluorophenyl)-2-(2-(5-isopropyl-2-methylphenoxy)acetyl)hydrazine-1-carbothioamide (4j) exhibited excellent in vitro α-glucosidase inhibitory activity, with an IC50 value of 8.32 μg/mL, outperforming both carvacrol and acarbose.
本研究以植物源活性化合物香芹酚为先导结构,合成了一系列含有巯基氨基脲片段的香芹酚衍生物,并通过1H NMR、13C NMR和HRMS对其结构进行了表征。随后,评价了这些化合物的体外抗氧化活性和α-葡萄糖苷酶抑制活性。生物实验结果表明,目标化合物具有一定的体外抗氧化活性和α-葡萄糖苷酶抑制活性。其中,化合物2-(2-(5-异丙基-2-甲基苯氧基)乙酰基)- n -苯肼-1-碳硫酰胺(4i)的体外抗氧化活性最强,其清除DPPH的IC50值为4.98 μg/mL,清除ABTS的IC50值为2.34 μg/mL,均优于维生素C和trolox。同时,化合物N-(4-氟苯基)-2-(2-(5-异丙基-2-甲基苯氧基)乙酰基)肼-1-碳硫酰胺(4j)具有良好的体外α-葡萄糖苷酶抑制活性,IC50值为8.32 μg/mL,优于香芹酚和阿卡波糖。
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引用次数: 0
DFT-based insight into substituent-controlled McCormack cycloaddition for the formation of phospholene oxides 基于dft的洞察取代基控制的McCormack环加成形成磷烯氧化物
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-11-03 DOI: 10.1080/10426507.2025.2584183
Tayebeh Hadadi (Conceptualization Data curation Formal analysis Investigation Software) , Mehdi Shahraki (Investigation Methodology Software Supervision Writing – review & editing) , Fatemeh Mahmoudi (Data curation Formal analysis Methodology Visualization Writing – original draft)
The effect of various electron-donating and electron-withdrawing substituents on the reactivity and mechanism of the McCormack [4 + 2] cycloaddition reaction was systematically investigated using density functional theory (DFT) at the M06-2X/6-311++G(2d,2p) level of theory. This reaction, an underexplored cheletropic process, involves the formation of phospholene oxides from substituted dienes and dihalophosphines. Conformational analysis revealed that the so-called “cis” dienes in experimental studies are more accurately described as gauche conformers. Conceptual DFT indices indicated that dienes act as nucleophiles, while dihalophosphines serve as electrophiles. Global electron density transfer (GEDT) values confirmed the non-polar nature of the transition states. The proposed two-step mechanism includes a slow cheletropic step followed by rapid hydrolysis, with the first step identified as the rate-determining step. Thermodynamic and kinetic analyses showed the exothermicity of the overall reaction, and isomerization pathways leading to 2-phospholene oxides were also explored. These findings provide detailed insight into substituent effects on the McCormack reaction and offer theoretical guidance for designing more efficient organophosphorus syntheses.
采用密度泛函理论(DFT)在M06-2X/6-311++G(2d,2p)理论水平上系统研究了不同给电子和吸电子取代基对McCormack[4 + 2]环加成反应活性的影响及其机理。这个反应是一个尚未开发的亲电性过程,涉及由取代的二烯和二卤膦形成磷烯氧化物。构象分析表明,实验研究中所谓的“顺式”二烯更准确地描述为间扭式构象。概念DFT指数表明,二烯作为亲核试剂,而二卤膦作为亲电试剂。全球电子密度转移(GEDT)值证实了过渡态的非极性性质。提出的两步机制包括一个缓慢的亲电性步骤,然后是快速水解,第一步被确定为速率决定步骤。热力学和动力学分析表明,整个反应是放热的,并探索了导致2-磷烯氧化物的异构化途径。这些发现为取代基对McCormack反应的影响提供了详细的见解,并为设计更有效的有机磷合成提供了理论指导。
{"title":"DFT-based insight into substituent-controlled McCormack cycloaddition for the formation of phospholene oxides","authors":"Tayebeh Hadadi (Conceptualization Data curation Formal analysis Investigation Software) ,&nbsp;Mehdi Shahraki (Investigation Methodology Software Supervision Writing – review & editing) ,&nbsp;Fatemeh Mahmoudi (Data curation Formal analysis Methodology Visualization Writing – original draft)","doi":"10.1080/10426507.2025.2584183","DOIUrl":"10.1080/10426507.2025.2584183","url":null,"abstract":"<div><div>The effect of various electron-donating and electron-withdrawing substituents on the reactivity and mechanism of the McCormack [4 + 2] cycloaddition reaction was systematically investigated using density functional theory (DFT) at the M06-2X/6-311++G(2d,2p) level of theory. This reaction, an underexplored cheletropic process, involves the formation of phospholene oxides from substituted dienes and dihalophosphines. Conformational analysis revealed that the so-called “<em>cis</em>” dienes in experimental studies are more accurately described as <em>gauche</em> conformers. Conceptual DFT indices indicated that dienes act as nucleophiles, while dihalophosphines serve as electrophiles. Global electron density transfer (GEDT) values confirmed the non-polar nature of the transition states. The proposed two-step mechanism includes a slow cheletropic step followed by rapid hydrolysis, with the first step identified as the rate-determining step. Thermodynamic and kinetic analyses showed the exothermicity of the overall reaction, and isomerization pathways leading to 2-phospholene oxides were also explored. These findings provide detailed insight into substituent effects on the McCormack reaction and offer theoretical guidance for designing more efficient organophosphorus syntheses.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 1","pages":"Pages 85-95"},"PeriodicalIF":1.6,"publicationDate":"2025-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771930","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}
引用次数: 0
Synthesis and integrated physicochemical–biological characterization of arsenic(III) bis(N,N′-diethyldithiocarbamato-S,S′) complexes with mixed thio and oxo donor ligands 含硫氧混合配体的砷(III)双(N,N ' -二乙基二硫代氨基甲酸酯-S,S ')配合物的合成及综合物化生物学表征
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-31 DOI: 10.1080/10426507.2025.2580370
Nitin Carpenter (Conceptualization Data curation Formal analysis Investigation Methodology Resources Software) , Navdeep Sharma (Conceptualization Data curation Formal analysis Funding acquisition Investigation Methodology Project administration Resources Software Validation Writing – original draft Writing – review & editing) , H. P. S. Chauhan (Supervision)
A series of new arsenic(III) bis(dithiocarbamate) complexes with mixed thio and oxo donor ligands were synthesized via a targeted replacement reaction using arsenic(III) bis(N,N’-diethyldithiocarbamato-S,S’) chloride as the precursor. The powder XRD revealed nano-sized crystalline domains (20.63–23.01 nm) and monoclinic symmetry with unit cell volumes ranging from 1269–1280 ų. In the ESI-MS spectra, specific fragmentation patterns indicated the selective loss of SOCCH3 and OOCCH3 in compounds 4 and 5, respectively, yielding a notable base peak at 371.0 m/z. Compound 6 (arsenic(III) bis(N,N’-diethyldithiocarbamato-S,S’) thiosalicylate) decomposed thermally to form stable arsenic sulfide, aligning well with the predicted elemental composition. Thermal stability was confirmed through TGA and DTG analysis. Functionally, the nano-scale and unique structural features of these complexes confer enhanced antimicrobial properties, outperforming both free ligands and standard drugs. Using chloramphenicol and terbinafine as references, these derivatives demonstrated significant inhibition zones, suggesting promising applications in antimicrobial therapeutics. This study not only expands the understanding of arsenic-based coordination complexes but also underscores their potential as bioactive materials in medicinal chemistry.
以砷(III)二(N,N ' -二乙基二硫代氨基甲酸乙酯-S,S ')氯为前驱体,通过靶向取代反应合成了一系列新的含硫氧混合供体配体的砷(III)二硫代氨基甲酸乙酯配合物。粉末XRD显示纳米级晶域(20.63 ~ 23.01 nm),单斜对称,晶胞体积范围为1269 ~ 1280 ų。在ESI-MS谱图中,化合物4和化合物5中的SOCCH3和OOCCH3分别选择性损失,在371.0 m/z处产生一个明显的碱基峰。化合物6(砷(III)二(N,N ' -二乙基二硫代氨基甲酸乙酯-S,S ')硫代水杨酸)热分解生成稳定的硫化砷,与预测的元素组成一致。热重分析(TGA)和热重分析(DTG)证实了材料的热稳定性。在功能上,这些配合物的纳米级和独特的结构特征赋予了增强的抗菌性能,优于游离配体和标准药物。以氯霉素和特比萘芬为对照,这些衍生物显示出明显的抑制区,在抗菌药物中有很好的应用前景。本研究不仅扩大了对砷基配合物的认识,而且强调了它们作为药物化学生物活性物质的潜力。
{"title":"Synthesis and integrated physicochemical–biological characterization of arsenic(III) bis(N,N′-diethyldithiocarbamato-S,S′) complexes with mixed thio and oxo donor ligands","authors":"Nitin Carpenter (Conceptualization Data curation Formal analysis Investigation Methodology Resources Software) ,&nbsp;Navdeep Sharma (Conceptualization Data curation Formal analysis Funding acquisition Investigation Methodology Project administration Resources Software Validation Writing – original draft Writing – review & editing) ,&nbsp;H. P. S. Chauhan (Supervision)","doi":"10.1080/10426507.2025.2580370","DOIUrl":"10.1080/10426507.2025.2580370","url":null,"abstract":"<div><div>A series of new arsenic(III) bis(dithiocarbamate) complexes with mixed thio and oxo donor ligands were synthesized <em>via</em> a targeted replacement reaction using arsenic(III) bis(N,N’-diethyldithiocarbamato-S,S’) chloride as the precursor. The powder XRD revealed nano-sized crystalline domains (20.63–23.01 nm) and monoclinic symmetry with unit cell volumes ranging from 1269–1280 Å<sup>³</sup>. In the ESI-MS spectra, specific fragmentation patterns indicated the selective loss of SOCCH<sub>3</sub> and OOCCH<sub>3</sub> in compounds 4 and 5, respectively, yielding a notable base peak at 371.0 m/z. Compound 6 (arsenic(III) bis(N,N’-diethyldithiocarbamato-S,S’) thiosalicylate) decomposed thermally to form stable arsenic sulfide, aligning well with the predicted elemental composition. Thermal stability was confirmed through TGA and DTG analysis. Functionally, the nano-scale and unique structural features of these complexes confer enhanced antimicrobial properties, outperforming both free ligands and standard drugs. Using chloramphenicol and terbinafine as references, these derivatives demonstrated significant inhibition zones, suggesting promising applications in antimicrobial therapeutics. This study not only expands the understanding of arsenic-based coordination complexes but also underscores their potential as bioactive materials in medicinal chemistry.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 1","pages":"Pages 74-84"},"PeriodicalIF":1.6,"publicationDate":"2025-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771933","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}
引用次数: 0
Electrochemical regioselective trifluoromethylation of imidazo[2,1-b]thiazoles with CF3SO2Na 咪唑[2,1-b]噻唑与CF3SO2Na的电化学区域选择性三氟甲基化
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-27 DOI: 10.1080/10426507.2025.2580364
Meilin Liu (Methodology Writing – original draft) , Meng Xiao (Methodology Writing – review & editing) , Peng Liao (Data curation Writing – review & editing) , Wenjie Liu (Investigation Project administration)
An efficient and green electrochemical trifluoromethylation of imidazo[2,1-b]thiazoles was realized by employing CF3SO2Na (Langlois reagent) as the CF3 source. The 2,3-dihydroimidazo[2,1-b]thiazoles, 2-phenylbenzo[d]imidazo[2,1-b]thiazole and 2-phenylimidazo[1,2-a]pyridine also worked well. The strategy provides regioselective C-5 trifluoromethylation products with broad scope in 56-88% yields. In addition, this trifluoromethylation process has the advantages of being chemical oxidant-free and metal-free under safe and mild reaction conditions.
以CF3SO2Na (Langlois试剂)为CF3源,实现了咪唑[2,1-b]噻唑的高效绿色电化学三氟甲基化。2,3-二氢咪唑[2,1-b]噻唑、2-苯基苯并[d]咪唑[2,1-b]噻唑和2-苯基咪唑[1,2-a]吡啶也有很好的效果。该策略提供了区域选择性的C-5三氟甲基化产品,收率为56-88%。此外,该三氟甲基化工艺在安全、温和的反应条件下具有无化学氧化剂和无金属的优点。
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引用次数: 0
A comprehensive review on phosphogypsum management dynamics 磷石膏管理动态研究综述
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-22 DOI: 10.1080/10426507.2025.2578202
Ertuğrul Çelik (Conceptualization Investigation Writing – review & editing) , Cemre Avşar (Investigation Writing – review & editing) , Suna Ertunç (Supervision Writing – review & editing)
Sustainable development goals (SDGs) determined by the United Nations have underlined the necessity of circular economy practices, and concerns have been accelerated to sustain a transition between linear economy model to circular practices to accomplish the aim by 2030. The effort on this field is simply summarized as utilization of natural resources should be minimized and residual waste utilization should be maximized. Phosphogypsum (PG) is the by-product generated in phosphate fertilizer production process. Annual generation capacity of PG has risen to 300 million tons, however the statistical data regarding further processing underlines that 14% of PG generated is being utilized for various applications. Currently, PG management route lies mostly on storage, and 58% of PG is stockpiled. The rest 28% portion is discharged to coastal areas. Increasing the circularity of PG within the compliance to circular economy practices has been intensively focused because most of PG’s structure is composed of calcium sulfate, which strengthens its resemblance to natural gypsum, the rest being rare earth elements and heavy metals as the impurities. PG management indicates that the material does not create urgent environmental risks, however research on this field recommends enhanced PG processing rate rather than stockpiling, and the potential of PG utilization as a substitute for natural gypsum has been intensively evaluated. Developing a utilization pathway as a secondary resource would help effective resource management within the compliance to SDGs. Therefore, this paper provides a comprehensive review for the management of PG from a general point of view by analyzing the critical points in recycling and discussing possible potential application areas.
联合国确定的可持续发展目标(sdg)强调了循环经济实践的必要性,并加速了人们的关注,以维持线性经济模式向循环实践的过渡,到2030年实现这一目标。这一领域的努力可以简单地概括为尽量减少对自然资源的利用,最大限度地利用剩余废物。磷石膏是磷肥生产过程中产生的副产物。液化天然气的年发电能力已经上升到3亿吨,然而关于进一步处理的统计数据强调,14%的液化天然气被用于各种用途。目前,PG的管理路线主要是储存,58%的PG是库存。其余28%排放到沿海地区。在符合循环经济实践的前提下,提高PG的循环度一直是人们关注的焦点,因为PG的大部分结构由硫酸钙组成,这增强了它与天然石膏的相似性,其余部分是稀土元素和重金属作为杂质。PG管理表明该材料不会造成紧急的环境风险,然而该领域的研究建议提高PG的处理率而不是储存,并且PG作为天然石膏替代品的潜力已经得到了深入评估。制定作为次要资源的利用途径将有助于在遵守可持续发展目标的情况下进行有效的资源管理。因此,本文从一般的角度对PG的管理进行了全面的综述,分析了PG回收中的关键点,并讨论了PG可能的潜在应用领域。
{"title":"A comprehensive review on phosphogypsum management dynamics","authors":"Ertuğrul Çelik (Conceptualization Investigation Writing – review & editing) ,&nbsp;Cemre Avşar (Investigation Writing – review & editing) ,&nbsp;Suna Ertunç (Supervision Writing – review & editing)","doi":"10.1080/10426507.2025.2578202","DOIUrl":"10.1080/10426507.2025.2578202","url":null,"abstract":"<div><div>Sustainable development goals (SDGs) determined by the United Nations have underlined the necessity of circular economy practices, and concerns have been accelerated to sustain a transition between linear economy model to circular practices to accomplish the aim by 2030. The effort on this field is simply summarized as utilization of natural resources should be minimized and residual waste utilization should be maximized. Phosphogypsum (PG) is the by-product generated in phosphate fertilizer production process. Annual generation capacity of PG has risen to 300 million tons, however the statistical data regarding further processing underlines that 14% of PG generated is being utilized for various applications. Currently, PG management route lies mostly on storage, and 58% of PG is stockpiled. The rest 28% portion is discharged to coastal areas. Increasing the circularity of PG within the compliance to circular economy practices has been intensively focused because most of PG’s structure is composed of calcium sulfate, which strengthens its resemblance to natural gypsum, the rest being rare earth elements and heavy metals as the impurities. PG management indicates that the material does not create urgent environmental risks, however research on this field recommends enhanced PG processing rate rather than stockpiling, and the potential of PG utilization as a substitute for natural gypsum has been intensively evaluated. Developing a utilization pathway as a secondary resource would help effective resource management within the compliance to SDGs. Therefore, this paper provides a comprehensive review for the management of PG from a general point of view by analyzing the critical points in recycling and discussing possible potential application areas.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 1","pages":"Pages 1-23"},"PeriodicalIF":1.6,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771943","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}
引用次数: 0
On face index for some oxide and silicate networks 关于某些氧化物和硅酸盐网络的表面指数
IF 1.6 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-21 DOI: 10.1080/10426507.2025.2578205
Jai Parkash (Conceptualization Formal analysis Validation Writing – original draft Writing – review & editing) , Vijay Kumar Bhat (Conceptualization Supervision Validation Writing – review & editing)
Graph invariants, particularly topological indices, play a crucial role in understanding chemical structures. The face index, a recently introduced descriptor based on graph faces, predicts key physicochemical properties (e.g., energy levels, boiling points) but remains unexplored for oxide and silicate networks, a gap, that hinders its application to these industrially vital materials. Here, we derive exact closed form expressions for the face index of these networks, providing the first analytical formulas for these systems. Our results not only advance the mathematical characterization of complex silicates and oxides but also establish a foundation for correlating face index values with various physicochemical properties, enabling future QSAR/QSPR studies.
图不变量,特别是拓扑指数,在理解化学结构方面起着至关重要的作用。面指数是最近引入的一种基于图形面的描述符,它可以预测关键的物理化学性质(例如,能级、沸点),但对于氧化物和硅酸盐网络仍未进行探索,这是一个空白,阻碍了它在这些工业上至关重要的材料中的应用。在这里,我们导出了这些网络的面指数的精确封闭形式表达式,提供了这些系统的第一个解析公式。我们的研究结果不仅推进了复杂硅酸盐和氧化物的数学表征,而且为将表面指数值与各种物理化学性质相关联奠定了基础,为未来的QSAR/QSPR研究奠定了基础。
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引用次数: 0
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Phosphorus, Sulfur, and Silicon and the Related Elements
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