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Synergistic green extraction of elderberry bioactives using glycerol and β-cyclodextrin as sustainable solvents 以甘油和β-环糊精为溶剂协同绿色提取接骨木果生物活性物质
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-12 DOI: 10.1016/j.scp.2026.102320
Vildan Eyi̇z , Ayşenur Acar
The objective of this study was to extract bioactive compounds from elderberry (Sambucus nigra L.) using environmentally friendly solvents. Eight solvent systems containing glycerol and β-cyclodextrin (β-CD) were tested for phenolic, flavonoid, anthocyanin, and proanthocyanidin contents, along with antioxidant capacities (2,2-diphenyl-1-picrylhydrazyl (DPPH), Ferric Reducing Antioxidant Power (FRAP), Cupric Ion Reducing Antioxidant Capacity (CUPRAC)). The medium glycerol + medium β-CD (G50β2) sample showed a 17.3 % higher total phenolic content, 9.2 % higher proanthocyanidin content, and 29.1 % greater CUPRAC antioxidant capacity compared to the ethanol control. Glycerol control (G50) yielded the highest flavonoid content, 20.1 % above ethanol. For DPPH radical scavenging activity, medium glycerol + high β-CD (G50β3) was most effective, while β-CD control (β-CD2) achieved the highest monomeric anthocyanin content. These results demonstrate that glycerol and β-CD combinations can outperform ethanol in extracting antioxidant-rich bioactive compounds. The approach offers an effective and sustainable alternative to conventional solvents, enhancing the recovery, solubility, and stability of valuable phytochemicals from elderberry for potential food, nutraceutical, and pharmaceutical applications.
本研究的目的是利用环保溶剂从接骨木中提取生物活性物质。采用含有甘油和β-环糊精(β-CD)的8种溶剂体系测定了酚类、类黄酮、花青素和原花青素的含量以及抗氧化能力(2,2-二苯基-1-苦酰肼(DPPH)、铁还原抗氧化能力(FRAP)、铜离子还原抗氧化能力(CUPRAC))。与乙醇对照相比,培养基甘油+培养基β-CD (G50β2)样品的总酚含量提高17.3%,原花青素含量提高9.2%,CUPRAC抗氧化能力提高29.1%。甘油对照(G50)的黄酮含量最高,比乙醇高20.1%。在清除DPPH自由基方面,中甘油+高β-CD (G50β3)的效果最好,而β-CD对照(β-CD2)的单体花青素含量最高。这些结果表明,甘油和β-CD组合在提取富含抗氧化剂的生物活性化合物方面优于乙醇。该方法为传统溶剂提供了一种有效和可持续的替代方法,提高了接骨木中有价值的植物化学物质的回收率、溶解度和稳定性,具有潜在的食品、营养保健和制药应用价值。
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引用次数: 0
Vinasse management for the advancement of circular economy in Campos dos Goytacaces’ sucro-energetic industry 在Campos dos goytacace的超能源产业中推进循环经济的废液管理
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-10 DOI: 10.1016/j.scp.2026.102309
Francisco Cancino Schweikart , Sabine Schlüter , Frank Rögener
Brazil ranks as the top sugarcane producer globally and is the second highest ethanol producer. The sugar-energy sector is central to the country's economic growth and energy independence but it has caused significant environmental damages, such as contamination of soil, water, and air, as well as water scarcity and loss of biodiversity. It was hypothesized that Improving water management and vinasse handling within bioethanol production can reduce the water footprint substantially without increasing water withdrawals. Additionally, transferring water from industrial to agricultural sectors and using recycled water may significantly enhance sugarcane yield. Field studies and data analysis from a sugar and ethanol plant in Campos dos Goytacazes, Brazil, were conducted to evaluate water efficiency and vinasse management practices. The results indicate that sustainable water management strategies can be effectively integrated into existing bioethanol production systems, offering considerable improvements in resource use and environmental impact that are relevant to global efforts in sustainable agriculture and energy production. Findings indicate that improving water management within bioethanol production has the potential to lower the water footprint by as much as 34 %, without increasing withdrawal rates. Moreover, intersectoral water transfer from industry to agriculture and incorporating recycled water has the potential to boost sugarcane yields by up to 79 %.
巴西是全球最大的甘蔗生产国,也是第二大乙醇生产国。糖能源部门对该国的经济增长和能源独立至关重要,但它造成了严重的环境破坏,如土壤、水和空气污染,以及水资源短缺和生物多样性丧失。据推测,在生物乙醇生产中改善水管理和酒糟处理可以在不增加取水量的情况下大幅减少水足迹。此外,将工业用水转移到农业部门和使用循环水可以显著提高甘蔗产量。对巴西Campos dos Goytacazes的一家糖和乙醇厂进行了实地研究和数据分析,以评估用水效率和酒液管理做法。结果表明,可持续水管理战略可以有效地整合到现有的生物乙醇生产系统中,在资源利用和环境影响方面提供相当大的改进,这与可持续农业和能源生产的全球努力有关。研究结果表明,在不增加提取率的情况下,改善生物乙醇生产中的水管理有可能将水足迹减少多达34%。此外,从工业到农业的跨部门水转移以及利用循环水有可能将甘蔗产量提高79%。
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引用次数: 0
Sustainable alkali-activated mortars from blast furnace slag reinforced with basalt fibers: Thermal performance, microstructure, and machine learning analysis 用玄武岩纤维增强的高炉渣碱活性可持续砂浆:热性能、微观结构和机器学习分析
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-10 DOI: 10.1016/j.scp.2026.102318
Ahmet Ferdi Şenol, Özlem Çalışkan
Ground granulated blast furnace slag (GBFS)-based alkali-activated binders offer a low-carbon alternative to Portland cement by eliminating clinker-related CO2 emissions. Although these systems provide high compressive strength, their flexural capacity is limited, and additional degradation may occur under elevated temperatures. Incorporating natural basalt fibers (BF) is therefore considered a promising strategy to improve both toughness and thermal stability. In this study, GBFS-based alkali-activated mortars containing 0.2–1 % BF were evaluated in terms of workability, ultrasonic pulse velocity, mechanical performance, residual behavior after exposure to 20–800 °C, and microstructural development. Flexural strength (FS) and compressive strength (CS) were also predicted as functions of curing duration and temperature using multiple linear regression (MLR) and machine learning (ML) models. BF incorporation reduced workability by up to 19.4 %, while moderate fiber dosages (around 0.6 %) led to a maximum flexural strength enhancement of approximately 25 % compared to the control. At 1 % BF, CS decreased by about 21 %, and all mixtures exhibited approximately 12 % mass loss at 800 °C. The BF0.4 mixture maintained nearly 20 % higher CS and about fourfold higher FS than the control after heating. ML models achieved high accuracy (R2 > 0.95) and identified an optimal BF content of around 0.5 %. FE-SEM observations confirmed that low fiber dosages produced a denser matrix and that BF retained structural integrity up to 800 °C.
基于磨粒高炉矿渣(GBFS)的碱活化粘结剂通过消除与熟料相关的二氧化碳排放,为波特兰水泥提供了低碳替代品。虽然这些系统提供了很高的抗压强度,但它们的抗弯能力有限,并且在高温下可能会发生额外的降解。因此,加入天然玄武岩纤维(BF)被认为是一种有前途的策略,以提高韧性和热稳定性。在这项研究中,对含有0.2-1 % BF的gbfs基碱活化砂浆的和易性、超声脉冲速度、力学性能、暴露于20-800°C后的残留行为和微观结构发展进行了评估。使用多元线性回归(MLR)和机器学习(ML)模型预测抗弯强度(FS)和抗压强度(CS)作为固化时间和温度的函数。BF掺入使和易性降低了19.4%,而适度的纤维剂量(约0.6%)与对照相比,最大弯曲强度提高了约25%。当BF值为1%时,CS降低了约21%,在800℃时,所有混合物的质量损失约为12%。加热后,BF0.4混合物的CS比对照高近20%,FS比对照高约4倍。ML模型获得了很高的准确度(R2 > 0.95),并确定了最佳BF含量约为0.5%。FE-SEM观察证实,低纤维用量产生了更致密的基体,并且BF在800°C下仍保持结构完整性。
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引用次数: 0
Simplifying the access to FLYRCADO™: A shorter route for preparing [18F]flurpiridaz precursors under mild conditions 简化FLYRCADO™的获取途径:在温和条件下制备[18F]氟吡达前体的更短途径
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-09 DOI: 10.1016/j.scp.2025.102296
Carlotta Scarponi , Fernando P. Cossio , Jesus Ruiz-Cabello , Ermal Ismalaj
We report a novel and efficient three-step synthesis of flurpiridaz precursors and reference compounds. Central to this strategy is the mild and operationally simple AgOTf-mediated etherification of the benzyl bromide intermediate with hydroxyethyl sulfonates. The tosylate-bearing precursor was obtained in a 64 % yield, a two-fold improvement over previous routes. DFT calculations showed that the presence of electron-donating groups on the benzensulfonyl ring decreases the electrophilic character of the sp3-hybridized carbon bonded to the sulfonate leaving group. We expect this approach to become widely employed for the preparation of both precursors and reference compounds, crucial for the FDA-approved FLYRCADO™ GMP manufacturing.
我们报道了一种新颖高效的三步合成氟吡唑前体和参比化合物的方法。该策略的核心是温和和操作简单的agotf介导的苯溴中间体与羟乙基磺酸盐的醚化反应。产率为64%,比以前的路线提高了两倍。DFT计算表明,苯磺酰基环上给电子基团的存在降低了与磺酸基成键的sp3杂化碳的亲电性。我们希望这种方法能够广泛应用于前体和参比化合物的制备,这对fda批准的FLYRCADO™GMP生产至关重要。
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引用次数: 0
Sustainable access to renewable N-substituted pyrroles from biomass-based 2,5-dimethylfuran catalyzed by mesoporous zirconium phosphate 介孔磷酸锆催化生物质基2,5-二甲基呋喃可持续获取可再生n -取代吡咯
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-06 DOI: 10.1016/j.scp.2026.102312
Fengjuan Deng , Shunyu Wu , Shima Liu , Xianwu Zhou , Ke Song , Jie Guo , Jian He
Construction of renewable N-substituted pyrroles from biomass-derived furanic compounds represents an attractive, promising and eco-friendly strategy for valorization of bio-based furanic compounds. Herein, an effective system, based on using mesoporous zirconium phosphates with Brønsted-Lewis dual acidity as heterogenous catalysts, for the synthesis of N-substituted pyrroles from bio-based 2,5-dimethylfuran (2,5-DMF) and aniline was developed. The as-prepared ZrP-1:1-550 showed a remarkable catalytic performance, giving an 82.0 % yield of 2,5-dimethyl-N-phenylpyrrole at 170 °C. A deliberate structure-activity correlation demonstrated that large density of medium-strong acid sites, large BET surface area as well as high accessibility of active sites synergistically contribute to the high-efficiency conversion of 2,5-DMF into N-substituted pyrroles. Kinetic and thermodynamic studies pointed out that synthesis of 2,5-dimethyl-N-phenylpyrrole from 2,5-DMF and aniline is an endothermic and nonspontaneous process with a relatively low value of activation energy (56.80 kJ/mol). Poisoning experiments revealed that the remarkable catalytic activity of ZrP-1:1-550 benefited from the additive effect between Brønsted acid catalysis and Lewis acid catalysis, with the Brønsted acid-catalyzed Paal-Knorr reaction being the predominant mechanism. Moreover, the ZrP-1:1-550 was confirmed to be a recyclable and durable catalyst, and proved to be universal in the synthesis of various N-substituted pyrroles from 2,5-DMF and aniline with different substituents. This work emphasizes the combination of sustainable synthesis of nitrogen-containing compounds and valorization of biomass-based furanic compounds, contributing to the development of renewable biomass resources as feedstocks for production of fine chemicals.
从生物质衍生的呋喃化合物中构建可再生的n取代吡咯代表了一种有吸引力、有前途和环保的生物基呋喃化合物的增殖策略。本研究以Brønsted-Lewis双酸性介孔磷酸锆为多相催化剂,建立了以生物基2,5-二甲基呋喃(2,5- dmf)和苯胺为原料合成n -取代吡咯的有效体系。制备的ZrP-1:1-550表现出优异的催化性能,在170℃下,2,5-二甲基- n -苯基吡咯的产率为82.0%。结构-活性相关性研究表明,大密度的中强酸位点、大的BET表面积以及活性位点的高可及性协同作用有助于2,5- dmf高效转化为n -取代吡咯。动力学和热力学研究表明,2,5- dmf与苯胺合成2,5-二甲基- n -苯基吡咯是一个吸热非自发反应过程,活化能较低(56.80 kJ/mol)。投毒实验表明,ZrP-1:1-550的显著催化活性得益于Brønsted酸催化和Lewis酸催化的加性效应,其中Brønsted酸催化的Paal-Knorr反应是主要机理。此外,ZrP-1:1-550是一种可循环使用和耐用的催化剂,可用于2,5- dmf和不同取代基苯胺合成各种n -取代吡咯。本研究强调含氮化合物的可持续合成与生物质基呋喃化合物的增值相结合,有助于开发可再生生物质资源作为精细化学品生产的原料。
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引用次数: 0
One-step phase separation and magnetic retrieval of switchable natural deep eutectic solvents via Fe3O4@CA composites for rapid extraction of illegal non-steroidal anti-inflammatory drugs in herbal extracts 通过Fe3O4@CA复合材料一步相分离和磁回收可切换的天然深共晶溶剂快速提取草药提取物中的非法非甾体抗炎药
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-05 DOI: 10.1016/j.scp.2026.102311
Jin-Yue Dong , Rong-Jie Wang , Qing Ran , Xiao-Bei Yang , Wen-Chao Han , Feng-Qi Dong , Di Chen
A novel microextraction method based on switchable natural deep eutectic solvents (SNADES) was developed for the determination of illicitly added non-steroidal anti-inflammatory drugs (NSAIDs) in herbal extracts, enabling one-step phase separation and magnetic retrieval of the extractant. The addition of ammonia solution induces the reversible transition of the hydrophobic SNADES (menthol:decanoic acid = 1:1) to a hydrophilic state, thereby significantly enhancing the extraction efficiency of the target analytes. Citric acid-modified Fe3O4 composites (Fe3O4@CA) were employed to achieve rapid phase separation and efficient magnetic retrieval of the SNADES phase. After systematic optimization, the optimal conditions were established as 30 μL of SNADES, 70 mg of citric acid, 4 mg of Fe3O4, an extraction time of 4 min, and 100 μL of acetonitrile for desorption. Under the optimal conditions, four NSAIDs (flurbiprofen, diclofenac sodium, ibuprofen, and ketoprofen) exhibited good linearity over the concentration range of 0.1–20 μg/mL, with correlation coefficients (R2) ≥ 0.993. The method provided relative recoveries of 93.7–109.2 % for the target analytes, with relative standard deviations (RSDs) ≤ 9.7 %. The limits of detection were in the range of 0.016–0.036 μg/mL. Spiked recovery experiments in real herbal extracts confirmed the method's accuracy (96.0–112.3 %), demonstrating that the proposed approach provides a rapid, efficient, and green sample preparation strategy for the screening of illicit synthetic drugs in herbal products.
建立了一种基于可切换天然深共熔溶剂(SNADES)的新型微萃取方法,用于测定草药提取物中非法添加的非甾体抗炎药(NSAIDs),实现了一步相分离和磁检索。氨水溶液的加入诱导疏水SNADES(薄荷醇:癸酸= 1:1)可逆转变为亲水状态,从而显著提高了目标分析物的提取效率。采用柠檬酸修饰的Fe3O4复合材料(Fe3O4@CA)实现了SNADES相的快速分离和高效磁回收。经系统优化,确定最佳工艺条件为:SNADES 30 μL、柠檬酸70 mg、Fe3O4 4 mg、萃取时间4 min、乙腈100 μL解吸。在最佳条件下,氟比洛芬、双氯芬酸钠、布洛芬、酮洛芬4种非甾体抗炎药在0.1 ~ 20 μg/mL范围内线性良好,相关系数(R2)≥0.993。该方法的相对回收率为93.7 ~ 109.2%,相对标准偏差(rsd)≤9.7%。检出限为0.016 ~ 0.036 μg/mL。在真实草药提取物中的加标回收率实验证实了该方法的准确性(96.0 - 112.3%),表明该方法为草药产品中非法合成药物的筛选提供了一种快速、高效、绿色的样品制备策略。
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引用次数: 0
Biocatalytic nanocomposite polymeric membranes with bio-graphene for the sustainable mitigation of biofouling 具有生物石墨烯的生物催化纳米复合聚合物膜,可持续缓解生物污染
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.scp.2026.102310
Christina Alatzoglou , Michaela Patila , Stamatia Spyrou , Theodosis Giousis , Iro Giotopoulou , Nektaria-Marianthi Barkoula , Mamas I. Prodromidis , Haralambos Stamatis
Βiofilm-associated biofouling is a significant barrier to the proper functioning of the wastewater ultrafiltration membranes. Developing nanocomposite polymeric membranes that incorporate various enzymes offers a sustainable approach to water purification, increasing the lifespan of the membrane. In this study, bio-graphene (bG) was prepared through liquid graphite exfoliation in the presence of chitosan, thereby enriching the final material's antimicrobial properties. Three types of polyethersulfone (PES) membranes were prepared: unmodified PES, PES containing different concentrations of bG, and PES incorporating bG together with α-amylase and lysozyme. Their antimicrobial activity was then evaluated. Next, the biocatalytic characterization of the optimized membranes was conducted. The reusability of the two enzymes incorporated into the nanocomposite membranes was tested: the activity of α-amylase remained relatively high until the 8th cycle (∼42 %), while that of lysozyme was nearly depleted. Furthermore, the storage stability of the biocatalytic membranes was investigated, revealing that they retained more than 60 % of their catalytic activity and maintained good antibacterial activity. Next, the morphology of bG and nanocomposite polymeric membranes was further characterized with several spectroscopic and microscopic techniques. Finally, it was shown that the nanocomposite membranes exhibited higher anti-biofouling and antimicrobial performance than the unmodified PES membrane, ensuring stable performance in challenging wastewater environments.
Βiofilm-associated生物结垢是影响废水超滤膜正常工作的重要障碍。开发包含各种酶的纳米复合聚合物膜提供了一种可持续的水净化方法,增加了膜的使用寿命。在本研究中,通过壳聚糖存在下的液态石墨剥离制备生物石墨烯(bG),从而丰富了最终材料的抗菌性能。制备了三种聚醚砜(PES)膜:未改性聚醚砜膜、含不同浓度bG的聚醚砜膜和含bG与α-淀粉酶和溶菌酶的聚醚砜膜。然后评估其抗菌活性。然后,对优化后的膜进行了生物催化性能表征。结果表明,α-淀粉酶的活性一直保持在较高的水平,直到第8个循环(~ 42%),而溶菌酶的活性几乎耗尽。此外,研究了生物催化膜的储存稳定性,发现其保留了60%以上的催化活性,并保持了良好的抗菌活性。接下来,利用多种光谱和显微技术进一步表征了bG和纳米复合聚合物膜的形态。最后,研究表明,纳米复合膜比未改性的PES膜具有更高的抗生物污染和抗菌性能,确保了其在挑战性废水环境中的稳定性能。
{"title":"Biocatalytic nanocomposite polymeric membranes with bio-graphene for the sustainable mitigation of biofouling","authors":"Christina Alatzoglou ,&nbsp;Michaela Patila ,&nbsp;Stamatia Spyrou ,&nbsp;Theodosis Giousis ,&nbsp;Iro Giotopoulou ,&nbsp;Nektaria-Marianthi Barkoula ,&nbsp;Mamas I. Prodromidis ,&nbsp;Haralambos Stamatis","doi":"10.1016/j.scp.2026.102310","DOIUrl":"10.1016/j.scp.2026.102310","url":null,"abstract":"<div><div>Βiofilm-associated biofouling is a significant barrier to the proper functioning of the wastewater ultrafiltration membranes. Developing nanocomposite polymeric membranes that incorporate various enzymes offers a sustainable approach to water purification, increasing the lifespan of the membrane. In this study, bio-graphene (bG) was prepared through liquid graphite exfoliation in the presence of chitosan, thereby enriching the final material's antimicrobial properties. Three types of polyethersulfone (PES) membranes were prepared: unmodified PES, PES containing different concentrations of bG, and PES incorporating bG together with α-amylase and lysozyme. Their antimicrobial activity was then evaluated. Next, the biocatalytic characterization of the optimized membranes was conducted. The reusability of the two enzymes incorporated into the nanocomposite membranes was tested: the activity of α-amylase remained relatively high until the 8th cycle (∼42 %), while that of lysozyme was nearly depleted. Furthermore, the storage stability of the biocatalytic membranes was investigated, revealing that they retained more than 60 % of their catalytic activity and maintained good antibacterial activity. Next, the morphology of bG and nanocomposite polymeric membranes was further characterized with several spectroscopic and microscopic techniques. Finally, it was shown that the nanocomposite membranes exhibited higher anti-biofouling and antimicrobial performance than the unmodified PES membrane, ensuring stable performance in challenging wastewater environments.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"49 ","pages":"Article 102310"},"PeriodicalIF":5.8,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Closing the loop in concrete production: A dual-waste valorization pathway using rice husk ash and extracted micro silica 混凝土生产中的闭环:利用稻壳灰和提取的微二氧化硅的双废物增值途径
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-30 DOI: 10.1016/j.scp.2025.102308
Muhammad Fahad Ullah, Hesheng Tang
The construction sector must urgently adopt circular models to address its high resource use and extensive waste production. The current study proposes a novel pathway in which RHA is used not only directly but also processed to produce highly pure micro silica (EMS), thereby offering a dual-waste valorization strategy. RHA was combusted at 700 °C and then chemically processed to extract EMS, yielding 99.47 % amorphous silica. Concrete mixes incorporating EMS (5–15 %) and RHA (15–35 %) were evaluated for mechanical performance, durability, and cradle-to-gate sustainability. Results demonstrated that the optimal mixes (05E15R and 10E25R) exhibited higher compressive strengths of 42.08 MPa (+18.06 %) and 39.14 MPa (+9.82 %), respectively, outperforming the control mix (35.64 MPa). These mixes also significantly improved durability, mitigating the destructive alkali-silica reaction. In contrast, the 15E35R mix showed a lower compressive strength of 33.31 MPa (6.5 %) than CM. This is attributed to particle agglomeration, poor dispersion, and weak hydration products caused by excessive silica content. Critically, the Life Cycle Assessment (LCA) showed a substantial reduction in CO2 emissions, decreasing from 451.53 kg CO2/m3 for the control to 396.13 kg CO2/m3 (12.26 %), 354.03 kg CO2/m3 (21.60 %), and 311.92 kg CO2/m3 (30.92 %) for the EMS–RHA (05E15R, 10E25R, and 15E35R) blends, respectively. Life-cycle cost analysis indicated moderate increases in material cost ($93.66–$96.98/m3) compared with the control ($89.77/m3). A sensitivity analysis showed that transportation and EMS price variability exert the strongest influence on the cost of ternary-based concrete, while RHA remained economically stable.
建筑行业必须紧急采用循环模式,以解决其高资源使用和大量废物产生的问题。本研究提出了一种新的途径,即RHA不仅可以直接使用,还可以加工成高纯度的微二氧化硅(EMS),从而提供了一种双废物增值策略。RHA在700℃下燃烧,然后进行化学处理以提取EMS,得到99.47%的无定形二氧化硅。结合EMS(5 - 15%)和RHA(15 - 35%)的混凝土混合料的机械性能、耐久性和从摇篮到闸门的可持续性进行了评估。结果表明,最佳掺合料(05E15R和10E25R)的抗压强度分别为42.08 MPa(+ 18.06%)和39.14 MPa(+ 9.82%),优于对照掺合料(35.64 MPa)。这些混合物还显著提高了耐久性,减轻了破坏性的碱-硅反应。15E35R混合料的抗压强度为33.31 MPa,比CM低6.5%。这是由于二氧化硅含量过高引起的颗粒团聚,分散性差和水化产物弱。重要的是,生命周期评估(LCA)显示二氧化碳排放量大幅减少,从对照的451.53 kg CO2/m3分别减少到EMS-RHA (05E15R, 10E25R和15E35R)混合物的396.13 kg CO2/m3 (- 12.26%), 354.03 kg CO2/m3(- 21.60%)和311.92 kg CO2/m3(- 30.92%)。生命周期成本分析表明,与对照组(89.77美元/立方米)相比,材料成本适度增加(93.66美元- 96.98美元/立方米)。敏感性分析表明,运输和EMS价格变化对三元基混凝土成本的影响最大,而RHA保持经济稳定。
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引用次数: 0
A green and sustainable method for constructing P(O)–N bonds and its application in the phosphorylation of amlodipine 绿色可持续构建P(O) -N键的方法及其在氨氯地平磷酸化中的应用
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-30 DOI: 10.1016/j.scp.2025.102307
Mengyu Xie , Zhaohui Zhan , Yanfei Xu , Yibin Wu , Jianhui Chen , Tao Cai , Runpu Shen
Among the most important phosphorus-nitrogen-containing compounds, phosphamides are widely found in pharmaceuticals, natural products, and functional materials. This work presents a green and sustainable protocol for the synthesis of valuable phosphamides through a NaI-catalyzed oxidative cross-coupling reaction of P(O)–H compounds with amines using H2O2 as a green oxidant and ethyl acetate (EA) as a green solvent. Furthermore, the current protocol was successfully applied to the late-stage phosphorylation of several important drug molecules, such as vortioxetine, fluoxetine and amlodipine. This metal-free method features green and mild reaction conditions, simple operation, as well as a broad substrate scope.
在最重要的含磷氮化合物中,磷酰胺广泛存在于药物、天然产物和功能材料中。本研究提出了一种绿色和可持续的方案,通过nai催化P(O) -H化合物与胺的氧化交叉偶联反应,以H2O2为绿色氧化剂,乙酸乙酯(EA)为绿色溶剂合成有价值的磷酰胺。此外,目前的方案已成功应用于几个重要药物分子的后期磷酸化,如沃替西汀、氟西汀和氨氯地平。该方法无金属,反应条件绿色温和,操作简单,底物适用范围广。
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引用次数: 0
Synthesis of quinoline-pyridazinone hybrid molecules by using a bio-based aldo-X building block DMEMPO from levulinic acid 以乙酰丙酸为原料,用生物基醛氧基构建块DMEMPO合成喹啉-吡啶酮杂化分子
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-28 DOI: 10.1016/j.scp.2025.102306
Muhammad Noman Haider Tariq , Gul Khanda Sajjad , Tianjian Zhang , Rongxian Bai , Babak Kaboudin , Yanlong Gu
Methylpyridazin-3(2H)-one (DHMP), a valuable downstream derivative of biomass-derived levulinic acid, was employed as a renewable starting material to synthesize a bio-based multifunctional building block. Under mild basic conditions, DHMP reacted with 2,2-dimethoxyacetaldehyde to afford an aldo-X intermediate, 2,2-dimethoxyethyl-methylpyridazinone (DMEMPO), in 60 % yield. DMEMPO was transformed into quinoline–pyridazinone hybrid molecules using Bi(OTf)3 as a Lewis acid catalyst in 49–87 % yields. The transformation proceeded through a Povarov-type reaction mechanism, accompanied by the concurrent formation of cetohexazine that works like a leaving group. This operationally simple, one-pot protocol not only provides a sustainable route to value-added heterocyclic scaffolds but also exemplifies the potential of biomass-derived building blocks in medicinal chemistry.
甲基吡嗪-3(2H)- 1 (DHMP)是一种有价值的生物质乙酰丙酸下游衍生物,以可再生原料为原料合成了一种生物基多功能建筑材料。在温和的碱性条件下,DHMP与2,2-二甲氧基乙醛反应生成醛- x中间体2,2-二甲氧基乙基甲基吡嗪酮(DMEMPO),产率为60%。以Bi(OTf)3为Lewis酸催化剂,将DMEMPO转化为喹啉-吡啶酮杂化分子,产率为49% ~ 87%。这种转化是通过波瓦洛夫型反应机制进行的,同时还形成了像离去基一样起作用的西己嗪。这种操作简单的一锅方案不仅为增值杂环支架提供了可持续的途径,而且还体现了生物质衍生的药物化学构建模块的潜力。
{"title":"Synthesis of quinoline-pyridazinone hybrid molecules by using a bio-based aldo-X building block DMEMPO from levulinic acid","authors":"Muhammad Noman Haider Tariq ,&nbsp;Gul Khanda Sajjad ,&nbsp;Tianjian Zhang ,&nbsp;Rongxian Bai ,&nbsp;Babak Kaboudin ,&nbsp;Yanlong Gu","doi":"10.1016/j.scp.2025.102306","DOIUrl":"10.1016/j.scp.2025.102306","url":null,"abstract":"<div><div>Methylpyridazin-3(2H)-one (DHMP), a valuable downstream derivative of biomass-derived levulinic acid, was employed as a renewable starting material to synthesize a bio-based multifunctional building block. Under mild basic conditions, DHMP reacted with 2,2-dimethoxyacetaldehyde to afford an aldo-X intermediate, 2,2-dimethoxyethyl-methylpyridazinone (DMEMPO), in 60 % yield. DMEMPO was transformed into quinoline–pyridazinone hybrid molecules using Bi(OTf)<sub>3</sub> as a Lewis acid catalyst in 49–87 % yields. The transformation proceeded through a Povarov-type reaction mechanism, accompanied by the concurrent formation of cetohexazine that works like a leaving group. This operationally simple, one-pot protocol not only provides a sustainable route to value-added heterocyclic scaffolds but also exemplifies the potential of biomass-derived building blocks in medicinal chemistry.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"49 ","pages":"Article 102306"},"PeriodicalIF":5.8,"publicationDate":"2025-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
期刊
Sustainable Chemistry and Pharmacy
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