首页 > 最新文献

Sustainable Chemistry and Pharmacy最新文献

英文 中文
Agitated carbonation of waste incineration bottom ash: Linking CO2 utilization to enhanced reactivity and cement performance 垃圾焚烧底灰的搅拌碳化:将CO2利用与增强反应性和水泥性能联系起来
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-21 DOI: 10.1016/j.scp.2025.102263
Xu Fan , Xinhua Cai , Jun Wang , Shuhua Liu
Due to the low reactivity of municipal solid waste incineration (MSWI) bottom ash, appropriate pre-treatment is required before its reuse as a construction material. Accelerated carbonation has emerged as a promising method owing to its sustainability advantages. A novel flow-through agitated carbonation method was developed to enhance the early-age reactivity of bottom ash. The results show that agitation during carbonation promotes CaCO3 crystal growth along the (104) primary crystal plane, increasing the proportion of thermodynamically more stable CaCO3 (Ⅰ) crystals among newly formed CaCO3 to over 30 %. In addition, the crystal size decreases and the morphology becomes more spherical, facilitating the formation of stable nucleation sites that accelerate cement hydration, particularly during the acceleration and deceleration stages. Carbonated BA also provides significantly higher lubrication compared with OPC particles, resulting in a 36 % improvement in paste flowability at a 50 % replacement ratio. Compared with conventional activation strategies, BA treated via agitated carbonation exhibits a pronounced strength enhancement in blended cement, driven by the synergistic effects of nucleation and particle-filling. For example, at a water-to-binder ratio of 0.4 and a 15 % replacement level, the 3-day compressive strength exceeds 30 MPa. Overall, carbonation transforms bottom ash from a low-reactivity residue into a value-added SCM, achieving 15–25 % lower GWP per MPa and 10–15 % lower cost per MPa than OPC while maintaining superior mechanical efficiency. The findings demonstrate a viable pathway for valorizing alkaline solid waste through CO2 utilization and provide mechanistic insights for developing sustainable cementitious materials.
由于城市生活垃圾焚烧(MSWI)底灰的反应性较低,在将其作为建筑材料再利用之前,需要进行适当的预处理。由于其可持续性优势,加速碳酸化已成为一种很有前途的方法。为了提高底灰的早期反应性,提出了一种新型的流动搅拌碳酸化方法。结果表明,碳化过程中的搅拌促进了CaCO3晶体沿(104)初生晶面生长,使新形成的CaCO3中热力学更稳定的CaCO3(Ⅰ)晶体的比例增加到30%以上。此外,晶体尺寸减小,形貌变得更球形,有利于形成稳定的成核位点,加速水泥水化,特别是在加速和减速阶段。与OPC颗粒相比,碳化BA也提供了明显更高的润滑,在50%的替代率下,膏体流动性提高了36%。与传统活化策略相比,在成核和颗粒填充的协同作用下,经搅拌碳化处理的BA在混合水泥中表现出明显的强度增强。例如,当水胶比为0.4,替代率为15%时,3天抗压强度超过30 MPa。总的来说,碳化将低反应性残留物的底灰转化为增值SCM,与OPC相比,每MPa的GWP降低了15 - 25%,每MPa的成本降低了10 - 15%,同时保持了优异的机械效率。这一发现为利用二氧化碳使碱性固体废物增值提供了一条可行的途径,并为开发可持续胶凝材料提供了机理见解。
{"title":"Agitated carbonation of waste incineration bottom ash: Linking CO2 utilization to enhanced reactivity and cement performance","authors":"Xu Fan ,&nbsp;Xinhua Cai ,&nbsp;Jun Wang ,&nbsp;Shuhua Liu","doi":"10.1016/j.scp.2025.102263","DOIUrl":"10.1016/j.scp.2025.102263","url":null,"abstract":"<div><div>Due to the low reactivity of municipal solid waste incineration (MSWI) bottom ash, appropriate pre-treatment is required before its reuse as a construction material. Accelerated carbonation has emerged as a promising method owing to its sustainability advantages. A novel flow-through agitated carbonation method was developed to enhance the early-age reactivity of bottom ash. The results show that agitation during carbonation promotes CaCO<sub>3</sub> crystal growth along the (104) primary crystal plane, increasing the proportion of thermodynamically more stable CaCO<sub>3</sub> (Ⅰ) crystals among newly formed CaCO<sub>3</sub> to over 30 %. In addition, the crystal size decreases and the morphology becomes more spherical, facilitating the formation of stable nucleation sites that accelerate cement hydration, particularly during the acceleration and deceleration stages. Carbonated BA also provides significantly higher lubrication compared with OPC particles, resulting in a 36 % improvement in paste flowability at a 50 % replacement ratio. Compared with conventional activation strategies, BA treated via agitated carbonation exhibits a pronounced strength enhancement in blended cement, driven by the synergistic effects of nucleation and particle-filling. For example, at a water-to-binder ratio of 0.4 and a 15 % replacement level, the 3-day compressive strength exceeds 30 MPa. Overall, carbonation transforms bottom ash from a low-reactivity residue into a value-added SCM, achieving 15–25 % lower GWP per MPa and 10–15 % lower cost per MPa than OPC while maintaining superior mechanical efficiency. The findings demonstrate a viable pathway for valorizing alkaline solid waste through CO<sub>2</sub> utilization and provide mechanistic insights for developing sustainable cementitious materials.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102263"},"PeriodicalIF":5.8,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576302","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
DI-SPME/LC–MS/MS approach for the determination of multiple drugs and their metabolites across thirteen rabbit biological matrices DI-SPME/ LC-MS /MS法测定13种兔生物基质中多种药物及其代谢物
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-21 DOI: 10.1016/j.scp.2025.102264
Alicja Chromiec , Karolina Mermer , Zbigniew Arent , Renata Wietecha-Posłuszny
The object of this publication was to test the applicability of an existing DI-SPME/LC-MS/MS method for the analysis of samples of thirteen biological materials collected from rabbits (brain, cerebellum, vitreous humour, cardiac muscle, blood, lung, liver, spleen, bile, kidney, urine, bone marrow and thigh muscle) for the presence of diazepam, citalopram, carbamazepine, venlafaxine, morphine, alprazolam and their selected metabolites. For this purpose, full validation was performed for nine matrices. In the case of cerebellum, vitreous humour, bone marrow and bile, the amount of available blank matrices was insufficient, so cerebellum samples were referred to calibration graphs prepared for brain and the others to graphs prepared with saline. Validation studies determined LOD and LOQ (respectively <1.2 ng/mL and <3.5 ng/mL for liquid samples and <4.5 ng/g and <13.5 ng/g for solid samples), precision within and between days (0.1–19.5%), and relative error (|RE|<12.7%) and recovery (within 80.0–110.0% for most analytes). A study of the matrix effect was also carried out and showed its presence in several cases. The suitability of the method was also confirmed by analysing a number of real samples. In addition to analytical aspects, the greenness and practicality of the method were also discussed based on the principles of green analytical chemistry, the blue applicability grade index tool and White Analytical Chemistry concept.
本出版物的目的是测试现有的DI-SPME/LC-MS/MS方法的适用性,用于分析从兔子(脑、小脑、玻璃体、心肌、血液、肺、肝脏、脾脏、胆汁、肾脏、尿液、骨髓和大腿肌肉)收集的13种生物材料样品中存在地西泮、西酞普兰、卡马西平、文拉法辛、吗啡、阿普唑仑及其选定的代谢物。为此,对9个矩阵进行了全面验证。小脑、玻璃体、骨髓和胆汁由于可用空白基质数量不足,故小脑样本参照脑校正图,其余参照生理盐水校正图。验证研究确定了LOD和LOQ(液体样品分别为1.2 ng/mL和3.5 ng/mL,固体样品为4.5 ng/g和13.5 ng/g),天内和天之间的精密度(0.1-19.5%),相对误差(|RE 12.7%)和回收率(大多数分析物在80.0-110.0%之间)。对基质效应也进行了研究,并在一些情况下表明了它的存在。通过对实际样品的分析,也证实了该方法的适用性。除了分析方面,还根据绿色分析化学的原理、蓝色适用性等级指标工具和白色分析化学的概念,讨论了该方法的绿色度和实用性。
{"title":"DI-SPME/LC–MS/MS approach for the determination of multiple drugs and their metabolites across thirteen rabbit biological matrices","authors":"Alicja Chromiec ,&nbsp;Karolina Mermer ,&nbsp;Zbigniew Arent ,&nbsp;Renata Wietecha-Posłuszny","doi":"10.1016/j.scp.2025.102264","DOIUrl":"10.1016/j.scp.2025.102264","url":null,"abstract":"<div><div>The object of this publication was to test the applicability of an existing DI-SPME/LC-MS/MS method for the analysis of samples of thirteen biological materials collected from rabbits (brain, cerebellum, vitreous humour, cardiac muscle, blood, lung, liver, spleen, bile, kidney, urine, bone marrow and thigh muscle) for the presence of diazepam, citalopram, carbamazepine, venlafaxine, morphine, alprazolam and their selected metabolites. For this purpose, full validation was performed for nine matrices. In the case of cerebellum, vitreous humour, bone marrow and bile, the amount of available blank matrices was insufficient, so cerebellum samples were referred to calibration graphs prepared for brain and the others to graphs prepared with saline. Validation studies determined LOD and LOQ (respectively &lt;1.2 ng/mL and &lt;3.5 ng/mL for liquid samples and &lt;4.5 ng/g and &lt;13.5 ng/g for solid samples), precision within and between days (0.1–19.5%), and relative error (|RE|&lt;12.7%) and recovery (within 80.0–110.0% for most analytes). A study of the matrix effect was also carried out and showed its presence in several cases. The suitability of the method was also confirmed by analysing a number of real samples. In addition to analytical aspects, the greenness and practicality of the method were also discussed based on the principles of green analytical chemistry, the blue applicability grade index tool and White Analytical Chemistry concept.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102264"},"PeriodicalIF":5.8,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576235","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
Household food waste - consumer intentions and capacities for further reduction considering different food waste categories 家庭食物废物-消费者的意愿和进一步减少的能力,考虑到不同的食物废物类别
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-21 DOI: 10.1016/j.scp.2025.102209
Atilla Kunszabó , Gyula Kasza , Dávid Szakos , Judit Oláh , Zoltán Lakner , József Popp , Widya Satya Nugraha , Annamária Dorkó , Miklós Süth
Recently, EU legislation has addressed Sustainable Development Goal 12.3, introducing legally binding targets for the Member States for the reduction of food waste across sectors by 2030 compared to 2020 levels. The mandatory reduction target is 30 % in retail and consumption levels (including households), and 10 % in the processing and manufacturing sectors. The current study includes household food waste data from 282 voluntary households in 2021. Data was collected by following a diary-supported direct food waste measurement methodology (FUSIONS methodology), completed by pre- and post-study questionnaire surveys with one respondent from each household. Avoidable (edible) food waste dropped by 23.99 % (from 33.14 kg/capita/year to 25.19 kg/capita/year) between 2016 and 2021. The reduction of total FW was only 3.73 % (68.04 kg/capita/year in 2016 and 65.50 kg/capita/year in 2021). Possibilities for further FW reduction in Hungarian households were investigated. This study found that 84 % of the households underestimated their actual total FW generation, and the average level of underestimation was 48.5 %. Research data suggests that unavoidable FW is not perceived to be wastage by the respondents. According to post-study questionnaire results, 77 % of the respondents believe they can further reduce the FW in their households. The finding suggests that, despite the decrease in household food waste from 2016 to 2021, there is considerable potential for further reduction, especially in the avoidable category. This potential is in line with broader goals of reducing food waste in households, contributing to national and EU targets for sustainable resource management and food waste reduction.
最近,欧盟立法解决了可持续发展目标12.3,为成员国引入了与2020年水平相比,到2030年减少各部门食物浪费的具有法律约束力的目标。强制性减排目标是零售和消费水平(包括家庭)的30%,加工和制造业的10%。目前的研究包括2021年282个自愿家庭的家庭食物浪费数据。数据通过日记支持的直接食物浪费测量方法(FUSIONS方法)收集,并通过研究前和研究后的问卷调查完成,每个家庭有一名受访者。2016年至2021年间,可避免的(可食用的)食物浪费减少了23.99%(从33.14公斤/人/年降至25.19公斤/人/年)。总FW减少量仅为3.73%(2016年为68.04 kg/人均/年,2021年为65.50 kg/人均/年)。对匈牙利家庭进一步减少FW的可能性进行了调查。该研究发现,84%的家庭低估了他们实际的FW总发电量,平均低估水平为48.5%。研究数据表明,受访者并不认为不可避免的FW是浪费。根据研究后的问卷调查结果,77%的受访者认为他们可以进一步减少家庭中的FW。这一发现表明,尽管2016年至2021年家庭食物浪费有所减少,但仍有很大的潜力可以进一步减少,特别是在可避免的类别中。这一潜力符合减少家庭食物浪费的更广泛目标,有助于实现国家和欧盟可持续资源管理和减少食物浪费的目标。
{"title":"Household food waste - consumer intentions and capacities for further reduction considering different food waste categories","authors":"Atilla Kunszabó ,&nbsp;Gyula Kasza ,&nbsp;Dávid Szakos ,&nbsp;Judit Oláh ,&nbsp;Zoltán Lakner ,&nbsp;József Popp ,&nbsp;Widya Satya Nugraha ,&nbsp;Annamária Dorkó ,&nbsp;Miklós Süth","doi":"10.1016/j.scp.2025.102209","DOIUrl":"10.1016/j.scp.2025.102209","url":null,"abstract":"<div><div>Recently, EU legislation has addressed Sustainable Development Goal 12.3, introducing legally binding targets for the Member States for the reduction of food waste across sectors by 2030 compared to 2020 levels. The mandatory reduction target is 30 % in retail and consumption levels (including households), and 10 % in the processing and manufacturing sectors. The current study includes household food waste data from 282 voluntary households in 2021. Data was collected by following a diary-supported direct food waste measurement methodology (FUSIONS methodology), completed by pre- and post-study questionnaire surveys with one respondent from each household. Avoidable (edible) food waste dropped by 23.99 % (from 33.14 kg/capita/year to 25.19 kg/capita/year) between 2016 and 2021. The reduction of total FW was only 3.73 % (68.04 kg/capita/year in 2016 and 65.50 kg/capita/year in 2021). Possibilities for further FW reduction in Hungarian households were investigated. This study found that 84 % of the households underestimated their actual total FW generation, and the average level of underestimation was 48.5 %. Research data suggests that unavoidable FW is not perceived to be wastage by the respondents. According to post-study questionnaire results, 77 % of the respondents believe they can further reduce the FW in their households. The finding suggests that, despite the decrease in household food waste from 2016 to 2021, there is considerable potential for further reduction, especially in the avoidable category. This potential is in line with broader goals of reducing food waste in households, contributing to national and EU targets for sustainable resource management and food waste reduction.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102209"},"PeriodicalIF":5.8,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576301","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
Sustainable design and application of recyclable dialkylimidazolium dimethylphosphate ionic liquids for green cellulose fiber processing 绿色纤维素纤维加工中可回收二烷基咪唑二甲基磷酸离子液体的可持续设计与应用
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-20 DOI: 10.1016/j.scp.2025.102267
Hui-Wen Hsu , Shih-Huang Tung , Ru-Jong Jeng
Ionic liquids (ILs) are promising sustainable solvents for cellulose processing owing to their high solubility, thermal stability, and recyclability. However, conventional imidazolium-based ILs, such as 1-ethyl-3-methylimidazolium acetate ([EMIM]OAc), are prone to C2-position side reactions and exhibit limited recyclability, which significantly constrains their industrial applicability. This study introduces a viable IL, 1-isopropyl-3-methylimidazolium dimethylphosphate ([iPMIM]DMP), featuring dual innovation: a branched isopropyl cation that enhances cellulose solubility through steric effects, and a low-pKa dimethylphosphate anion that suppresses side reactions and improves recyclability. Synthesized via a simple one-step route, [iPMIM]DMP exhibits excellent thermal stability, high cellulose solubility, and favorable rheological properties suitable for dry-jet wet spinning. Regenerated fibers prepared from paper-grade pulp show a tenacity of 36.90 cN/tex, comparable to industrial N-methylmorpholine N-oxide (NMMO)-based fibers. Moreover, [iPMIM]DMP can be efficiently recovered and reused over three dissolution–spinning cycles without performance loss, demonstrating strong chemical robustness. This work provides a practical and sustainable approach for recyclable ILs in cellulose fiber production.
离子液体由于其高溶解度、热稳定性和可回收性,是纤维素加工中很有前途的可持续溶剂。然而,传统的咪唑基il,如1-乙基-3-甲基咪唑醋酸酯([EMIM]OAc),容易发生c2位置的副反应,并且可回收性有限,这大大限制了它们的工业适用性。本研究介绍了一种可行的IL, 1-异丙基-3-甲基咪唑二甲基磷酸([iPMIM]DMP),具有双重创新:支化异丙基阳离子通过空间效应增强纤维素的溶解度,低pka二甲基磷酸阴离子抑制副反应并提高可回收性。通过简单的一步合成,[iPMIM]DMP具有优异的热稳定性,高纤维素溶解度和良好的流变特性,适合干喷湿纺丝。从纸级纸浆中制备的再生纤维的韧性为36.90 cn / texs,与工业n -甲基morpholine N-oxide (NMMO)纤维相当。此外,[iPMIM]DMP可以在三个溶解-纺丝循环中有效地回收和重复使用,而不会损失性能,显示出很强的化学稳健性。这项工作为纤维素纤维生产中可回收的il提供了一种实用和可持续的方法。
{"title":"Sustainable design and application of recyclable dialkylimidazolium dimethylphosphate ionic liquids for green cellulose fiber processing","authors":"Hui-Wen Hsu ,&nbsp;Shih-Huang Tung ,&nbsp;Ru-Jong Jeng","doi":"10.1016/j.scp.2025.102267","DOIUrl":"10.1016/j.scp.2025.102267","url":null,"abstract":"<div><div>Ionic liquids (ILs) are promising sustainable solvents for cellulose processing owing to their high solubility, thermal stability, and recyclability. However, conventional imidazolium-based ILs, such as 1-ethyl-3-methylimidazolium acetate ([EMIM]OAc), are prone to C2-position side reactions and exhibit limited recyclability, which significantly constrains their industrial applicability. This study introduces a viable IL, 1-isopropyl-3-methylimidazolium dimethylphosphate ([<em>i</em>PMIM]DMP), featuring dual innovation: a branched isopropyl cation that enhances cellulose solubility through steric effects, and a low-pKa dimethylphosphate anion that suppresses side reactions and improves recyclability. Synthesized via a simple one-step route, [<em>i</em>PMIM]DMP exhibits excellent thermal stability, high cellulose solubility, and favorable rheological properties suitable for dry-jet wet spinning. Regenerated fibers prepared from paper-grade pulp show a tenacity of 36.90 cN/tex, comparable to industrial N-methylmorpholine N-oxide (NMMO)-based fibers. Moreover, [<em>i</em>PMIM]DMP can be efficiently recovered and reused over three dissolution–spinning cycles without performance loss, demonstrating strong chemical robustness. This work provides a practical and sustainable approach for recyclable ILs in cellulose fiber production.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102267"},"PeriodicalIF":5.8,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576236","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
Bio-inspired fabrication of heterostructured porous core-shell PANI@Cu2O/CMC composite beads for green catalysis in A3 and decarboxylative A3 couplings 异质结构多孔核壳PANI@Cu2O/CMC复合微珠的仿生制备及其在A3和脱羧A3偶联中的绿色催化作用
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.scp.2025.102262
Shuyao Zhang, Ting Lin, Yuling Huang, Jiayi Huang, Meiling Xue, Zhihao Shan, Yiqun Li
Inspired by ancient Chinese “learning from nature” philosophy and biological structures, this study has developed robust PANI@Cu2O/CMC beads with heterostructured porous core-shell architectures. The Cu(II)/CMC core with a porous interwoven structure forms via in situ metathesis between Cu(II) and carboxylate groups of carboxymethylcellulose (CMC), while the heterostructured shell is created by in situ oxidative polymerization of aniline into polyaniline (PANI) on the core, with concurrent reduction of Cu(II) to Cu2O nanoparticles (NPs) in the matrix. This composite was fully characterized via multiple techniques and applied to aldehyde-alkyne-amine (A3) and decarboxylative A3 couplings under solvent- and ligand-free conditions. This unique porous heterostructured core-shell architecture not only enhances confinement effects for suppressing copper leaching and molecular diffusion to the active sites of Cu2O NPs inside the mesoporous PANI shell but also strengthens mechanical robustness, thus directly boosting catalytic efficiency. Due to their unique structural features, these beads outperform the previously reported systems, affording the products in excellent yields while exhibiting outstanding performance in green chemistry indicators such as TON, TOF, AE, RME, OE, PMI, energy consumption, E-factor. In green chemistry metrics, this methodology offers substantial advantages: high catalytic activity (TOF = 127.78 h−1, TON = 255.56), excellent catalyst reusability (5 consecutive runs with minimal activity loss), low waste generation (E-factor = 0.38) and energy consumption (260 °C·h), low PMI (1.4930), and exceptional green indices (AE = 94.82 %, RME = 72.02 %, OE = 75.95 %). It strictly adheres to green chemistry principles, thereby establishing an efficient, sustainable, and eco-friendly heterogeneous catalytic system.
受中国古代“从自然中学习”哲学和生物结构的启发,本研究开发了具有异质结构多孔核壳结构的坚固的PANI@Cu2O/CMC珠。具有多孔交织结构的Cu(II)/CMC核是通过Cu(II)和羧甲基纤维素(CMC)的羧酸基之间的原位复分解形成的,而异质结构的壳是通过苯胺在核上的原位氧化聚合成聚苯胺(PANI)而同时在基体中将Cu(II)还原成Cu2O纳米颗粒(NPs)而形成的。通过多种技术对该复合材料进行了表征,并在无溶剂和无配体条件下应用于醛-炔-胺(A3)和脱羧性A3偶联。这种独特的多孔异质结构核壳结构不仅增强了抑制铜浸出和分子扩散到介孔聚苯胺壳内Cu2O NPs活性位点的约束作用,而且增强了机械鲁棒性,从而直接提高了催化效率。由于其独特的结构特征,这些微珠的性能优于先前报道的体系,在提供产品优异收率的同时,在绿色化学指标(如TON, TOF, AE, RME, OE, PMI,能耗,e因子)方面表现出色。在绿色化学指标中,该方法具有显著的优势:高催化活性(TOF = 127.78 h−1,TON = 255.56),优异的催化剂可重复使用性(连续运行5次,活性损失最小),低废物产生(E-factor = 0.38)和能耗(260°C·h),低PMI(1.4930),卓越的绿色指数(AE = 94.82%, RME = 72.02%, OE = 75.95%)。严格遵循绿色化学原则,建立高效、可持续、环保的多相催化体系。
{"title":"Bio-inspired fabrication of heterostructured porous core-shell PANI@Cu2O/CMC composite beads for green catalysis in A3 and decarboxylative A3 couplings","authors":"Shuyao Zhang,&nbsp;Ting Lin,&nbsp;Yuling Huang,&nbsp;Jiayi Huang,&nbsp;Meiling Xue,&nbsp;Zhihao Shan,&nbsp;Yiqun Li","doi":"10.1016/j.scp.2025.102262","DOIUrl":"10.1016/j.scp.2025.102262","url":null,"abstract":"<div><div>Inspired by ancient Chinese “learning from nature” philosophy and biological structures, this study has developed robust PANI@Cu<sub>2</sub>O/CMC beads with heterostructured porous core-shell architectures. The Cu(II)/CMC core with a porous interwoven structure forms via in situ metathesis between Cu(II) and carboxylate groups of carboxymethylcellulose (CMC), while the heterostructured shell is created by in situ oxidative polymerization of aniline into polyaniline (PANI) on the core, with concurrent reduction of Cu(II) to Cu<sub>2</sub>O nanoparticles (NPs) in the matrix. This composite was fully characterized via multiple techniques and applied to aldehyde-alkyne-amine (A<sup>3</sup>) and decarboxylative A<sup>3</sup> couplings under solvent- and ligand-free conditions. This unique porous heterostructured core-shell architecture not only enhances confinement effects for suppressing copper leaching and molecular diffusion to the active sites of Cu<sub>2</sub>O NPs inside the mesoporous PANI shell but also strengthens mechanical robustness, thus directly boosting catalytic efficiency. Due to their unique structural features, these beads outperform the previously reported systems, affording the products in excellent yields while exhibiting outstanding performance in green chemistry indicators such as TON, TOF, <em>AE</em>, <em>RME</em>, <em>OE</em>, <em>PMI</em>, energy consumption, <em>E</em>-factor. In green chemistry metrics, this methodology offers substantial advantages: high catalytic activity (TOF = 127.78 h<sup>−1</sup>, TON = 255.56), excellent catalyst reusability (5 consecutive runs with minimal activity loss), low waste generation (<em>E</em>-factor = 0.38) and energy consumption (260 °C·h), low <em>PMI</em> (1.4930), and exceptional green indices (<em>AE</em> = 94.82 %, <em>RME</em> = 72.02 %, <em>OE</em> = 75.95 %). It strictly adheres to green chemistry principles, thereby establishing an efficient, sustainable, and eco-friendly heterogeneous catalytic system.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102262"},"PeriodicalIF":5.8,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576237","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
Integrated environmental and economic assessment of calcium carbide slag management toward 2035 面向2035年电石渣治理的环境经济综合评价
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-17 DOI: 10.1016/j.scp.2025.102265
Zhiling Huang , Wenxin Xue , Qianlong Han
Calcium carbide slag (CCS) is a highly alkaline byproduct generated during polyvinyl chloride production, and its improper management poses significant environmental pollution and resource waste in China. Herein, five CCS treatment pathways were evaluated from environmental and economic perspectives employing life cycle assessment (LCA) and synergistic pollution and carbon reduction models. Wherein, CCS prepared calcium carbonate exhibits the most favorable environmental performance and the highest synergistic efficiency, reducing 333.9–1109.9 kg CO2 eq/tonne compared to the others. Economically, producing calcium carbonate outperforms in the short-term static investment, increasing revenues by RMB 118.2–462.1/tonne. In contrast, preparing calcium hydroxide excels in the long-term dynamic investment, adding income of RMB 59.4–151.5/tonne. By integrating LCA results with predictive modeling, the potential for emission reductions, energy savings, and economic benefits associated with future CCS management nationwide has been systematically calculated. Under the business-as-usual scenario, CCS treatment nationwide in 2024 results in approximately 1.6 million tonnes CO2 eq emissions and incurs economic costs of RMB 447 million. If the optimal strategy is implemented, carbon emissions and economic costs decrease by 38.2 million tonnes CO2 eq and RMB 2.4 billion, respectively, and are projected to reach reductions of 55 million tonnes and RMB 3.47 billion by 2035. These findings provide a scientific basis for advancing CCS technology transfer in China, underscoring the role of CCS utilization in circular economy practices and contributing to the broader discourse on synergistic pollution and carbon reduction.
电石渣是聚氯乙烯生产过程中产生的高碱性副产物,管理不当造成了严重的环境污染和资源浪费。本文采用生命周期评价(LCA)和协同污染与碳减排模型,从环境和经济角度对5种CCS处理途径进行了评价。其中,CCS制备的碳酸钙表现出最有利的环境性能和最高的协同效率,与其他碳酸钙相比,可减少333.9-1109.9 kg CO2当量/吨。经济效益方面,生产碳酸钙短期静态投资优于生产碳酸钙,可增加收入118.2-462.1元/吨。相比之下,制备氢氧化钙在长期动态投资方面表现优异,增加收益为59.4-151.5元/吨。通过将LCA结果与预测模型相结合,系统地计算了与全国未来CCS管理相关的减排、节能和经济效益潜力。在常规情况下,到2024年,全国范围内的CCS处理将导致约160万吨二氧化碳当量的排放,并产生4.47亿元人民币的经济成本。如果实施最优策略,碳排放和经济成本分别减少3820万吨CO2当量和24亿元人民币,预计到2035年将分别减少5500万吨和34.7亿元人民币。这些发现为中国推进CCS技术转让提供了科学依据,强调了CCS利用在循环经济实践中的作用,并有助于更广泛地讨论协同污染和碳减排。
{"title":"Integrated environmental and economic assessment of calcium carbide slag management toward 2035","authors":"Zhiling Huang ,&nbsp;Wenxin Xue ,&nbsp;Qianlong Han","doi":"10.1016/j.scp.2025.102265","DOIUrl":"10.1016/j.scp.2025.102265","url":null,"abstract":"<div><div>Calcium carbide slag (CCS) is a highly alkaline byproduct generated during polyvinyl chloride production, and its improper management poses significant environmental pollution and resource waste in China. Herein, five CCS treatment pathways were evaluated from environmental and economic perspectives employing life cycle assessment (LCA) and synergistic pollution and carbon reduction models. Wherein, CCS prepared calcium carbonate exhibits the most favorable environmental performance and the highest synergistic efficiency, reducing 333.9–1109.9 kg CO<sub>2</sub> eq/tonne compared to the others. Economically, producing calcium carbonate outperforms in the short-term static investment, increasing revenues by RMB 118.2–462.1/tonne. In contrast, preparing calcium hydroxide excels in the long-term dynamic investment, adding income of RMB 59.4–151.5/tonne. By integrating LCA results with predictive modeling, the potential for emission reductions, energy savings, and economic benefits associated with future CCS management nationwide has been systematically calculated. Under the business-<em>as</em>-usual scenario, CCS treatment nationwide in 2024 results in approximately 1.6 million tonnes CO<sub>2</sub> eq emissions and incurs economic costs of RMB 447 million. If the optimal strategy is implemented, carbon emissions and economic costs decrease by 38.2 million tonnes CO<sub>2</sub> eq and RMB 2.4 billion, respectively, and are projected to reach reductions of 55 million tonnes and RMB 3.47 billion by 2035. These findings provide a scientific basis for advancing CCS technology transfer in China, underscoring the role of CCS utilization in circular economy practices and contributing to the broader discourse on synergistic pollution and carbon reduction.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102265"},"PeriodicalIF":5.8,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576238","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
A hesitant fuzzy approach to renewable energy technology selection aligned with sustainable development goals in Turkey 可再生能源技术选择的犹豫不决模糊方法符合土耳其的可持续发展目标
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-14 DOI: 10.1016/j.scp.2025.102261
Merve Güler , Esin Mukul , Aziz Kemal Konyalıoğlu
This study investigates the optimal selection of renewable energy technologies in Turkey through a combined multi-criteria decision-making (MCDM) framework that addresses both environmental sustainability and energy security within a context marked by rapid industrialization, substantial investments in wind and geothermal capacities, and a continued reliance on imported fossil fuels. In response to the global imperative to transition from unsustainable energy systems, the research introduces a novel integration of Hesitant Fuzzy Linguistic (HFL) Term Sets with the Simple Additive Weighting (SAW) method (HFL-SAW) to rigorously derive weights for a comprehensive set of criteria and sub-criteria essential to renewable energy selection. Building on this methodological foundation, the study employs three robust MCDM techniques, HFL Additive Ratio ASsessment (ARAS), HFL Multi-Attributive Border Approximation Area Comparison (MABAC), and HFL Evaluation based on Distance from Average Solution (EDAS), to comprehensively evaluate and rank competing renewable energy alternatives. This dual-level novelty which are methodological innovation and application to Turkey's evolving energy landscape distinguishes the study from prior research. The numerical results indicate that, based on the factor weights derived from HFL-SAW, SDG6 (Clean Water and Sanitation), SDG7 (Affordable and Clean Energy), and SDG13 (Climate Action) emerge as the most pivotal, underscoring the intrinsic interdependence between water security, sustainable energy production, and climate change mitigation. Comparative ranking thus reveals some variability among the methods, with hydropower energy systems consistently achieving superior rankings in both the HFL ARAS and HFL MABAC evaluations, and bioenergy and biomass systems are predominantly favored in the HFL EDAS assessment. The convergence of these findings not only substantiates the robustness and validity of the integrated analytical approach but also highlights the potential efficacy of hydropower and bioenergy solutions in facilitating Turkey's strategic energy transition. Furthermore, by systematically mapping each evaluation criterion to the corresponding United Nations SDGs, the study bridges the gap between renewable energy technology selection and global sustainability frameworks, offering valuable insights for policymakers tasked with formulating sustainable energy policies that foster economic growth, reduce environmental impacts, and enhance national energy security.
本研究通过综合多标准决策(MCDM)框架调查了土耳其可再生能源技术的最佳选择,该框架在快速工业化、风能和地热发电的大量投资以及对进口化石燃料的持续依赖的背景下解决了环境可持续性和能源安全问题。为了应对全球从不可持续能源系统过渡的迫切需要,本研究引入了一种将犹豫模糊语言(HFL)术语集与简单加性加权(SAW)方法(HFL-SAW)相结合的新方法,以严格推导可再生能源选择所需的综合标准和子标准的权重。在此方法基础上,本研究采用三种稳健的MCDM技术,即HFL加性比评估(ARAS)、HFL多属性边界近似面积比较(MABAC)和基于平均解决方案距离的HFL评估(EDAS),对竞争的可再生能源替代品进行综合评估和排名。这种双重层面的新颖性是方法论创新和应用于土耳其不断发展的能源格局,使研究与先前的研究不同。数值结果表明,基于HFL-SAW得出的因子权重,SDG6(清洁水和卫生)、SDG7(负担得起的清洁能源)和SDG13(气候行动)成为最关键的因素,强调了水安全、可持续能源生产和减缓气候变化之间的内在相互依存关系。因此,比较排名揭示了方法之间的一些差异,水电能源系统在HFL ARAS和HFL MABAC评估中始终获得较高的排名,而生物能源和生物质系统在HFL EDAS评估中占主导地位。这些发现的趋同不仅证实了综合分析方法的稳健性和有效性,而且还强调了水电和生物能源解决方案在促进土耳其战略能源转型方面的潜在功效。此外,通过将每个评估标准系统地映射到相应的联合国可持续发展目标,该研究弥合了可再生能源技术选择与全球可持续发展框架之间的差距,为决策者制定可持续能源政策提供了宝贵的见解,这些政策旨在促进经济增长,减少环境影响,增强国家能源安全。
{"title":"A hesitant fuzzy approach to renewable energy technology selection aligned with sustainable development goals in Turkey","authors":"Merve Güler ,&nbsp;Esin Mukul ,&nbsp;Aziz Kemal Konyalıoğlu","doi":"10.1016/j.scp.2025.102261","DOIUrl":"10.1016/j.scp.2025.102261","url":null,"abstract":"<div><div>This study investigates the optimal selection of renewable energy technologies in Turkey through a combined multi-criteria decision-making (MCDM) framework that addresses both environmental sustainability and energy security within a context marked by rapid industrialization, substantial investments in wind and geothermal capacities, and a continued reliance on imported fossil fuels. In response to the global imperative to transition from unsustainable energy systems, the research introduces a novel integration of Hesitant Fuzzy Linguistic (HFL) Term Sets with the Simple Additive Weighting (SAW) method (HFL-SAW) to rigorously derive weights for a comprehensive set of criteria and sub-criteria essential to renewable energy selection. Building on this methodological foundation, the study employs three robust MCDM techniques, HFL Additive Ratio ASsessment (ARAS), HFL Multi-Attributive Border Approximation Area Comparison (MABAC), and HFL Evaluation based on Distance from Average Solution (EDAS), to comprehensively evaluate and rank competing renewable energy alternatives. This dual-level novelty which are methodological innovation and application to Turkey's evolving energy landscape distinguishes the study from prior research. The numerical results indicate that, based on the factor weights derived from HFL-SAW, SDG6 (Clean Water and Sanitation), SDG7 (Affordable and Clean Energy), and SDG13 (Climate Action) emerge as the most pivotal, underscoring the intrinsic interdependence between water security, sustainable energy production, and climate change mitigation. Comparative ranking thus reveals some variability among the methods, with hydropower energy systems consistently achieving superior rankings in both the HFL ARAS and HFL MABAC evaluations, and bioenergy and biomass systems are predominantly favored in the HFL EDAS assessment. The convergence of these findings not only substantiates the robustness and validity of the integrated analytical approach but also highlights the potential efficacy of hydropower and bioenergy solutions in facilitating Turkey's strategic energy transition. Furthermore, by systematically mapping each evaluation criterion to the corresponding United Nations SDGs, the study bridges the gap between renewable energy technology selection and global sustainability frameworks, offering valuable insights for policymakers tasked with formulating sustainable energy policies that foster economic growth, reduce environmental impacts, and enhance national energy security.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102261"},"PeriodicalIF":5.8,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516794","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
Life cycle sustainability assessment of one-part alkali-activated concrete activated with industrial grade soda ash and hydrated lime-A comparative study 工业级纯碱与水合石灰活化单组分碱活化混凝土的生命周期可持续性评价——比较研究
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-14 DOI: 10.1016/j.scp.2025.102254
Jayashree Sengupta, Nirjhar Dhang, Arghya Deb
A life-cycle sustainability assessment (LCSA) is conducted to evaluate one-part slag-based alkali-activated concretes (AACs) using industrial-grade activators, compared to conventional OPC (CEM) and two-part alkali-activated mixes (CM). Four mixes were studied: (i) VM – dry-mixed GGBFS, SF, soda ash, and hydrated lime, followed with water; (ii) PM – dry-mixed GGBFS, SF, and hydrated lime, followed by a soda ash solution; (iii) CM – dry-mixed GGBFS and SF, then 4.55 M NaOH solution (stoichiometrically equivalent to VM); and (iv) CEM – OPC-based concrete. Technical assessment revealed superior compressive strengths in one-part mixes, with VM at 42.18 MPa and PM at 41.38 MPa, compared to CM (27.89 MPa) and CEM (43.12 MPa). Splitting and flexural tensile strengths were higher in PM (2.54 MPa and 5.88 MPa) than VM (2.11 MPa and 5.30 MPa) and CM (1.77 MPa and 3.21 MPa). Sorptivity decreased in the order VM (8.8 × 10−4 mm/√s) < PM (9.74 × 10−4 mm/√s) < CM (1.17 × 10−3 mm/√s), reflecting enhanced pore refinement. Environmental impacts were substantially lower for VM and PM, with GWP reductions of ∼16.4 % against CM and ∼9.7 % against CEM; HTP and ODP decreased by ∼16 % and ∼48 %, respectively. Economically, VM and PM incurred ∼13 % higher material costs than CEM but achieved five-to six-fold savings over CM when transport was included. Social assessment indicated improved safety and handling for one-part mixes relative to CM, though slightly lower acceptance than CEM (∼32–35 %). Overall, LCSA confirms that one-part AACs activated with industrial-grade activators are a technically robust, environmentally efficient, economically viable, and socially acceptable alternative to conventional concrete systems.
与传统的OPC (CEM)和两份碱活化混合料(CM)相比,使用工业级活化剂的单组分渣基碱活化混凝土(AACs)进行了生命周期可持续性评估(LCSA)。研究了四种混合料:(i) VM -干混合GGBFS、SF、纯碱和水合石灰,然后加水;(ii) PM -干混合GGBFS、SF和水合石灰,然后是纯碱溶液;(iii) CM -干混合GGBFS和SF,然后是4.55 M NaOH溶液(化学计量等效于VM);(iv) CEM - opc基混凝土。技术评价表明,单组分混合料的抗压强度优于CM (27.89 MPa)和CEM (43.12 MPa), VM为42.18 MPa, PM为41.38 MPa。PM的劈裂和弯曲拉伸强度(2.54 MPa和5.88 MPa)高于VM (2.11 MPa和5.30 MPa)和CM (1.77 MPa和3.21 MPa)。吸附率依次为VM (8.8 × 10−4 mm/√s)和lt; PM (9.74 × 10−4 mm/√s)和lt; CM (1.17 × 10−3 mm/√s),反映出孔隙细化程度增强。VM和PM的环境影响显著降低,与CM相比,GWP降低了~ 16.4%,与CEM相比,GWP降低了~ 9.7%;HTP和ODP分别下降了~ 16%和~ 48%。从经济上讲,VM和PM比CEM的材料成本高13%,但如果包括运输,则比CM节省了5到6倍。社会评估表明,相对于CM,单组分混合物的安全性和处理性有所提高,尽管接受度略低于CEM(~ 32 - 35%)。总的来说,LCSA证实,用工业级活化剂激活的单组分AACs是一种技术上稳健、环保、经济上可行、社会上可接受的传统混凝土系统的替代品。
{"title":"Life cycle sustainability assessment of one-part alkali-activated concrete activated with industrial grade soda ash and hydrated lime-A comparative study","authors":"Jayashree Sengupta,&nbsp;Nirjhar Dhang,&nbsp;Arghya Deb","doi":"10.1016/j.scp.2025.102254","DOIUrl":"10.1016/j.scp.2025.102254","url":null,"abstract":"<div><div>A life-cycle sustainability assessment (LCSA) is conducted to evaluate one-part slag-based alkali-activated concretes (AACs) using industrial-grade activators, compared to conventional OPC (CEM) and two-part alkali-activated mixes (CM). Four mixes were studied: (i) VM – dry-mixed GGBFS, SF, soda ash, and hydrated lime, followed with water; (ii) PM – dry-mixed GGBFS, SF, and hydrated lime, followed by a soda ash solution; (iii) CM – dry-mixed GGBFS and SF, then 4.55 M NaOH solution (stoichiometrically equivalent to VM); and (iv) CEM – OPC-based concrete. Technical assessment revealed superior compressive strengths in one-part mixes, with VM at 42.18 MPa and PM at 41.38 MPa, compared to CM (27.89 MPa) and CEM (43.12 MPa). Splitting and flexural tensile strengths were higher in PM (2.54 MPa and 5.88 MPa) than VM (2.11 MPa and 5.30 MPa) and CM (1.77 MPa and 3.21 MPa). Sorptivity decreased in the order VM (8.8 × 10<sup>−4</sup> mm/√s) &lt; PM (9.74 × 10<sup>−4</sup> mm/√s) &lt; CM (1.17 × 10<sup>−3</sup> mm/√s), reflecting enhanced pore refinement. Environmental impacts were substantially lower for VM and PM, with GWP reductions of ∼16.4 % against CM and ∼9.7 % against CEM; HTP and ODP decreased by ∼16 % and ∼48 %, respectively. Economically, VM and PM incurred ∼13 % higher material costs than CEM but achieved five-to six-fold savings over CM when transport was included. Social assessment indicated improved safety and handling for one-part mixes relative to CM, though slightly lower acceptance than CEM (∼32–35 %). Overall, LCSA confirms that one-part AACs activated with industrial-grade activators are a technically robust, environmentally efficient, economically viable, and socially acceptable alternative to conventional concrete systems.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102254"},"PeriodicalIF":5.8,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516796","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
Blue chemistry as a novel framework supported by BLOOM software to evaluate reaction practicality 蓝色化学作为一种新的框架,由BLOOM软件支持来评估反应的实用性
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-13 DOI: 10.1016/j.scp.2025.102259
Fotouh R. Mansour , Mahmoud A. El Hassab , Wagdy M. Eldehna
The current interest in sustainability and greenness of chemical laboratories practices is reflected in the large number of publications every year. Green chemistry is focused on following eco-friendly procedures and protocols to attain the results. However, the greenest methods do not have to be the most practical. This green dimension should be complemented with another dimension that addresses the practical aspects. Blue Chemistry introduces a novel framework for assessing the practicality of chemical reactions. This study proposes the Blueness Level of Organic Operations Metric (BLOOM) as a comprehensive metric with multiple parameters, including reaction scope, yield, reaction time, temperature, reagent cost, atom economy, reaction simplicity, waste generation, energy consumption, scalability, equipment accessibility, and catalyst requirements. This BLOOM framework provides a structured, quantitative approach to evaluating chemical reactions from a practical point of view. The proposed framework was applied to assess four recently reported chemical reactions: enantioselective hydrogenation of ketones, electrochemical synthesis of ammonia, metal–organic framework-supported oxygen reduction reaction, and the synthesis of phthalimide-tethered enzyme inhibitors. These case studies demonstrate how BLOOM tool and software have the potential to guide chemists in optimizing reaction practicality while promoting innovation in organic and industrial chemistry. This application is available as open-source software at bit.ly/BLOOM2026, enabling chemists to easily implement the BLOOM framework and enhance the practicality of chemical reactions in their workflows.
目前对化学实验室实践的可持续性和绿色的兴趣反映在每年大量的出版物中。绿色化学的重点是遵循环保的程序和协议,以达到结果。然而,最环保的方法并不一定是最实用的。这个绿色维度应该与另一个解决实际问题的维度相辅相成。《蓝色化学》介绍了一种评估化学反应实用性的新框架。本研究提出有机操作蓝度指标(BLOOM)是一个综合指标,包含多个参数,包括反应范围、产率、反应时间、温度、试剂成本、原子经济性、反应简洁性、废物产生、能源消耗、可扩展性、设备可及性和催化剂要求。这个BLOOM框架提供了一种结构化的、定量的方法,从实用的角度来评估化学反应。该框架被应用于评估最近报道的四种化学反应:酮的对映选择性加氢反应、氨的电化学合成、金属-有机框架支持的氧还原反应和邻苯二甲酸乙酯系链酶抑制剂的合成。这些案例研究展示了BLOOM工具和软件如何在促进有机化学和工业化学创新的同时,指导化学家优化反应实用性。这个应用程序作为开源软件在bit上可用。ly/BLOOM2026,使化学家能够轻松实施BLOOM框架,并增强其工作流程中化学反应的实用性。
{"title":"Blue chemistry as a novel framework supported by BLOOM software to evaluate reaction practicality","authors":"Fotouh R. Mansour ,&nbsp;Mahmoud A. El Hassab ,&nbsp;Wagdy M. Eldehna","doi":"10.1016/j.scp.2025.102259","DOIUrl":"10.1016/j.scp.2025.102259","url":null,"abstract":"<div><div>The current interest in sustainability and greenness of chemical laboratories practices is reflected in the large number of publications every year. Green chemistry is focused on following eco-friendly procedures and protocols to attain the results. However, the greenest methods do not have to be the most practical. This green dimension should be complemented with another dimension that addresses the practical aspects. Blue Chemistry introduces a novel framework for assessing the practicality of chemical reactions. This study proposes the Blueness Level of Organic Operations Metric (BLOOM) as a comprehensive metric with multiple parameters, including reaction scope, yield, reaction time, temperature, reagent cost, atom economy, reaction simplicity, waste generation, energy consumption, scalability, equipment accessibility, and catalyst requirements. This BLOOM framework provides a structured, quantitative approach to evaluating chemical reactions from a practical point of view. The proposed framework was applied to assess four recently reported chemical reactions: enantioselective hydrogenation of ketones, electrochemical synthesis of ammonia, metal–organic framework-supported oxygen reduction reaction, and the synthesis of phthalimide-tethered enzyme inhibitors. These case studies demonstrate how BLOOM tool and software have the potential to guide chemists in optimizing reaction practicality while promoting innovation in organic and industrial chemistry. This application is available as open-source software at bit.ly/BLOOM2026, enabling chemists to easily implement the BLOOM framework and enhance the practicality of chemical reactions in their workflows.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102259"},"PeriodicalIF":5.8,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516795","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
The clinical trade-offs of the ‘eco-pharma dilemma’ “生态制药困境”的临床权衡
IF 5.8 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-11 DOI: 10.1016/j.scp.2025.102257
Elisabeth M. Smale , Nicole G.M. Hunfeld
Developing mitigation strategies to address the substantial environmental impacts of pharmaceuticals gives rise to the ‘eco-pharma dilemma’, in which mitigation strategies may result in trade-offs along different stages of a pharmaceutical's life cycle. Clinical factors, like efficacy, safety and costs, determine the use of pharmaceuticals in practice, thus must be taken into account when considering trade-offs for environmentally sustainable use of pharmaceuticals. A clinical pharmacy perspective on the trade-offs of the ‘eco-pharma dilemma’ is provided.
The best clinical option for any patient remains the treatment that provides the highest efficacy with the lowest risk of adverse effects, at reasonable cost and with the smallest possible environmental footprint. However, as sustainability considerations become increasingly integrated into pharmaceutical development and prescribing, potential tensions may arise, such as resource constraints or shifts in production capacity, that could indirectly affect availability or access. It is therefore essential that mitigation strategies are guided by a systems-thinking approach involving clinicians, pharmacists and environmental scientists, ensuring that clinical effectiveness, safety, cost, and environmental impact are considered holistically to promote both patient health and planetary health without compromising equity or quality of care.
制定缓解战略以解决药品对环境的重大影响,造成了“生态制药困境”,在这种困境中,缓解战略可能导致在药品生命周期的不同阶段进行权衡。临床因素,如疗效、安全性和成本,决定了药物在实践中的使用,因此在考虑对环境可持续使用药物的权衡时必须加以考虑。对“生态制药困境”的权衡提供了临床药学的观点。对任何患者来说,最佳的临床选择仍然是以合理的成本和尽可能少的环境足迹提供最高疗效和最低不良反应风险的治疗。然而,随着可持续性因素越来越多地纳入药物开发和处方,可能会出现潜在的紧张局势,例如资源限制或生产能力的转移,这可能间接影响药物的供应或获取。因此,缓解战略必须以涉及临床医生、药剂师和环境科学家的系统思维方法为指导,确保从整体上考虑临床有效性、安全性、成本和环境影响,以促进患者健康和地球健康,同时不损害公平或护理质量。
{"title":"The clinical trade-offs of the ‘eco-pharma dilemma’","authors":"Elisabeth M. Smale ,&nbsp;Nicole G.M. Hunfeld","doi":"10.1016/j.scp.2025.102257","DOIUrl":"10.1016/j.scp.2025.102257","url":null,"abstract":"<div><div>Developing mitigation strategies to address the substantial environmental impacts of pharmaceuticals gives rise to the ‘eco-pharma dilemma’, in which mitigation strategies may result in trade-offs along different stages of a pharmaceutical's life cycle. Clinical factors, like efficacy, safety and costs, determine the use of pharmaceuticals in practice, thus must be taken into account when considering trade-offs for environmentally sustainable use of pharmaceuticals. A clinical pharmacy perspective on the trade-offs of the ‘eco-pharma dilemma’ is provided.</div><div>The best clinical option for any patient remains the treatment that provides the highest efficacy with the lowest risk of adverse effects, at reasonable cost and with the smallest possible environmental footprint. However, as sustainability considerations become increasingly integrated into pharmaceutical development and prescribing, potential tensions may arise, such as resource constraints or shifts in production capacity, that could indirectly affect availability or access. It is therefore essential that mitigation strategies are guided by a systems-thinking approach involving clinicians, pharmacists and environmental scientists, ensuring that clinical effectiveness, safety, cost, and environmental impact are considered holistically to promote both patient health and planetary health without compromising equity or quality of care.</div></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"48 ","pages":"Article 102257"},"PeriodicalIF":5.8,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516793","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
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1