Sustainable Chemistry and Pharmacy最新文献

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Machine learning models for estimating the compressive strength of rubberized concrete subjected to elevated temperature: Optimization and hyper-tuning 用于估算高温条件下橡胶混凝土抗压强度的机器学习模型:优化和超调整
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-09-03 DOI: 10.1016/j.scp.2024.101763
Turki S. Alahmari , Irfan Ullah , Furqan Farooq
{"title":"Machine learning models for estimating the compressive strength of rubberized concrete subjected to elevated temperature: Optimization and hyper-tuning","authors":"Turki S. Alahmari ,&nbsp;Irfan Ullah ,&nbsp;Furqan Farooq","doi":"10.1016/j.scp.2024.101763","DOIUrl":"10.1016/j.scp.2024.101763","url":null,"abstract":"<div><p>The incorporation of rubber fibers (RFs) brings about significant divergence in the characteristics of rubberized concrete when contrasted with traditional varieties. Thus, raising concerns about performance under elevated temperature and prolonged exposure. This study effectively addresses the challenges of incorporating rubber fibers in concrete by using artificial neural network (ANN), gene expression programming (GEP), and bagging to examine the impact of input factors such as water-to-cement ratio (W/C), rubber fiber content (RF), elevated temperature (T), and exposure duration (t) on air-cooled compressive strength (CS<sub>A</sub>). The comprehensive literature review and advanced modeling techniques reveal that ANN excels in capturing complex relationships. In addition, GEP provides clear and accurate models through its unique approach, and Bagging enhances model stability and accuracy. These methods together offer a robust framework for estimating the CS<sub>A</sub> of rubberized concrete. Thus, contributing valuable insights for optimizing its use in construction. All three models exhibited strong performance, with the ANN emerging as the most effective choice among the evaluated models. Notably, ANN displayed the highest coefficient of determination (R<sup>2</sup>) value of 0.984, indicating its superior predictive accuracy compared to both GEP (0.982), and bagging (0.970). Moreover, ANN demonstrated the lowest mean absolute error (MAE) score of 0.621 and root mean square error (RMSE) of 0.867, underscoring its precision in forecasting the CS<sub>A</sub> of rubberized concrete with minimal deviation from experimental values. In addition, the SHapley Additive exPlaination (SHAP) method is employed to comprehend the model estimations. The ICE and PDP plots demonstrate an initial increase in CS<sub>A</sub> up to 150 °C, followed by a significant decrease as temperature rises. Furthermore, CS<sub>A</sub> decreases with higher RF contents, and linearly declines with increasing W/C ratio. The SHAP analysis provides clear evidence of the strong negative correlation between T and CS<sub>A</sub>, along with a negative association with RF. A graphical user interface has been developed to estimate the CS<sub>A</sub> of rubberized concrete, enabling efficient and user-friendly model interaction without the need for physical experimentation.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101763"},"PeriodicalIF":5.5,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142129186","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
Extraction and characterization of Plantago major L. mucilage as a potential natural alternative over synthetic polymers for pharmaceutical formulations 提取大车前草粘液并确定其特性,以替代药物配方中的合成聚合物
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-09-03 DOI: 10.1016/j.scp.2024.101764
Maria Eugênia B. Rocha , Letícia Kakuda , Eliana B. Souto , Wanderley P. Oliveira
{"title":"Extraction and characterization of Plantago major L. mucilage as a potential natural alternative over synthetic polymers for pharmaceutical formulations","authors":"Maria Eugênia B. Rocha ,&nbsp;Letícia Kakuda ,&nbsp;Eliana B. Souto ,&nbsp;Wanderley P. Oliveira","doi":"10.1016/j.scp.2024.101764","DOIUrl":"10.1016/j.scp.2024.101764","url":null,"abstract":"<div><p>The growing demand for natural cosmetic ingredients with minimal environmental impact has spurred the search for novel alternatives to synthetic materials. In this context, mucilage from <em>Plantago major</em> L., an exotic plant widely spread in Brazil, presents a promising option. This study focused on optimizing mucilage extraction from <em>Plantago major</em> L. seeds, drying the extracted solution, characterizing the dried product, and evaluating its rheological properties for potential cosmetic use. An extraction procedure was developed using a baffled-jacketed stirred vessel with the addition of Teflon® particles to improve seed attrition and enhance seeds' mucilage removal. The mucilage solution was filtered, precipitated by ethanol addition, and then dried on various surfaces, with Teflon® proving the most effective. The product's suitability was evaluated in gel formulations and compared with established commercial polymers. The results showed an optimum extraction yield of 18.4% from the seeds, at the optimum extraction conditions of 140.5 min, solvent-to-seed mass ratio of 0.0284, and a temperature of 80.2 °C. The dried purified mucilage yielded a thermally stable product up to 300 °C, with a structure featuring the fingerprint region between 800 and 1200 cm⁻<sup>1</sup>, characteristic of carbohydrates. The gel formulation obtained with the product exhibited a non-Newtonian, pseudoplastic rheological profile, resembling the ones prepared with the natural and semi-synthetic polymers such as xanthan gum and hydroxyethyl cellulose, commonly used in cosmetic formulations. This study highlights the potential of mucilage from <em>Plantago major</em> L. seeds for applications in pharmaceutical formulations.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101764"},"PeriodicalIF":5.5,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352554124003395/pdfft?md5=5290335f24d215467747ea622127a25e&pid=1-s2.0-S2352554124003395-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142129185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving mechanical properties of PLA with pinus sylvestris char: Exploring thermal stability, interfacial strengthening mechanisms, and applications in 3D printing 用松脂炭改善聚乳酸的机械性能:探索热稳定性、界面强化机制以及在 3D 打印中的应用
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-09-02 DOI: 10.1016/j.scp.2024.101759
Manqi Wei, Qingbo Li, Fucheng Chen, Yanfei Zhang
{"title":"Improving mechanical properties of PLA with pinus sylvestris char: Exploring thermal stability, interfacial strengthening mechanisms, and applications in 3D printing","authors":"Manqi Wei,&nbsp;Qingbo Li,&nbsp;Fucheng Chen,&nbsp;Yanfei Zhang","doi":"10.1016/j.scp.2024.101759","DOIUrl":"10.1016/j.scp.2024.101759","url":null,"abstract":"<div><p>In the present study, submicron and micron-sized pinus sylvestris char (PS) was applied for the modification of polylactic acid (PLA) and the effect of the properties of PS on the mechanical, thermo-mechanical, and crystallization kinetics of PLA were investigated. As demonstrated, PS could enhance the toughness of the PS-PLA composites by forming interfacial “bridges” to facilitate stress transfer due to its stable lamellar structure and interaction with the PLA matrix. The tensile strength of PLA-PS composites increased by 98% and the bending strength increased by 25% compared to that of pure PLA. The addition of PS significantly increased the energy storage modulus (increased 22%) and loss modulus (increased 30%) of PLA, but led to a decrease in the crystallinity and thermal stability of the composite. In the practical utilization for 3D printing, PS-PLA composites possess good tensile strengths (41.5 MPa), allowing for smooth printing of complex products. This work provides an efficient strategy to modulate the thermodynamic and mechanical properties of PLA matrices by regulating the viscosity of the composites and modulating the interfacial strength with the addition of proper amounts of biochar.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101759"},"PeriodicalIF":5.5,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122176","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
Improving the yield of levoglucosan platform chemical from the pyrolysis of date pits waste biomass through pre-treatments 通过预处理提高枣核废弃生物质热解产生的左旋葡聚糖平台化学品的产量
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-30 DOI: 10.1016/j.scp.2024.101758
Ala Hamid , Ayesha Alam , Labeeb Ali , Toyin Shittu , Felix Guiabar Tripoli Labata , Mohammednoor Altarawneh
{"title":"Improving the yield of levoglucosan platform chemical from the pyrolysis of date pits waste biomass through pre-treatments","authors":"Ala Hamid ,&nbsp;Ayesha Alam ,&nbsp;Labeeb Ali ,&nbsp;Toyin Shittu ,&nbsp;Felix Guiabar Tripoli Labata ,&nbsp;Mohammednoor Altarawneh","doi":"10.1016/j.scp.2024.101758","DOIUrl":"10.1016/j.scp.2024.101758","url":null,"abstract":"<div><p>Lignocellulosic biomass, as the primary carbon source, serves as the foundation for the entire biorefinery concept. In this regard, date pits constitute an important category of biomass waste in many parts of the world. Levoglucosan, also known as 1,6-anhydro-<em>β</em>-<span>d</span>-glucopyranose (LG), is a significant sugar derivative and a platform chemical produced as a primary product in the cellulose pyrolysis process. Aiming to further improve the yield of levoglucosan from pyrolysis of date pits, pre-treatment methods were carried out via washing crushed date pits with different concentrations of selected acids (sulfuric acid: 1 M/3 M, nitric acid:1 M/3 M), and with hot water. The chemical and elemental compositions of the five considered samples were thoroughly analyzed and characterized by a wide array of ultimate and proximate techniques such as Neutral Detergent Fiber (NDF %), ASH content and organic Matter (%), and Mineral Nutrients Profile (ppm). By utilizing Py-GC/MS system, the product distribution from pyrolysis of raw and treated date pits was obtained at a range of temperatures between 300 and 500 °C. Compared to the raw date pits, pyrolysis of treated date pits pre-treated by 1 M H<sub>2</sub>SO<sub>4</sub> acid exhibited a dramatic increase in the concentration of levoglucosan due to the profound removal of the various categories of minerals in date pits and an increase in the NDF %. A positive correlation prevails between the removal efficiency of alkali/alkaline earth metals (AAEMs) and the yield of LG. The former catalyzes ring-opening reaction that results in the destruction of sugar derivatives. On the other hand, pre-treatment with water also increases the yield of LG compared to raw date pits, but to a lesser extent. Outcomes demonstrated herein convey a practical method to enhance the production of commodity chemicals from waste biomass.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101758"},"PeriodicalIF":5.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142098927","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
Green extraction of marine phospholipids from Conger eel by-product using SC-CO2: Lipidomic profiles and biological activities 利用 SC-CO2 从鳗鱼副产品中绿色提取海洋磷脂:脂质组谱和生物活性
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-29 DOI: 10.1016/j.scp.2024.101742
Jin-Seok Park , Vikash Chandra Roy , Ji-Min Han , Seung Hyun Yoo , Gun-Do Kim , Byung-Soo Chun
{"title":"Green extraction of marine phospholipids from Conger eel by-product using SC-CO2: Lipidomic profiles and biological activities","authors":"Jin-Seok Park ,&nbsp;Vikash Chandra Roy ,&nbsp;Ji-Min Han ,&nbsp;Seung Hyun Yoo ,&nbsp;Gun-Do Kim ,&nbsp;Byung-Soo Chun","doi":"10.1016/j.scp.2024.101742","DOIUrl":"10.1016/j.scp.2024.101742","url":null,"abstract":"<div><p>This paper presents an eco-friendly approach to recovering phospholipids (PLs) from the <em>Conger myriaster</em> head (CMH) via supercritical carbon dioxide (SC–CO<sub>2</sub>) extraction using ethanol as a cosolvent. The lipidomic profile and biological activities of the extracted PLs were investigated. Purity assessments, PL composition analysis, and fatty acid profiling were performed to characterize the PLs. Biological activity was determined through antioxidant, antimicrobial, antihypertensive, anti-inflammatory, and anticancer evaluations. The results showed that the yields of the SC–CO<sub>2</sub> extracted CMH PLs (SCHP) and organic solvent extracted CMH PLs (OCHP) were 3.26% ± 0.20 % (76.18% ± 0.09% purity) and 9.02% ± 0.21% (purity = 18.29% ± 0.04%), respectively. The <sup>31</sup>P NMR analysis revealed a diverse PL composition in both extracts, with the SCHP showing higher PC content and selective extraction characteristics. The SCHP exhibited significantly superior antioxidant, antimicrobial, antihypertensive, and anti-dementia activities compared to the OCHP. Both extracts inhibited nitric oxide production in RAW 264.7 cells, suggesting anti-inflammatory activity. Selective anticancer activity was observed, with high toxicity in SK-N-SH cells but no cytotoxicity in RAW 264.7 and HaCaT cells. The findings highlight the potential of SC-CO<sub>2</sub> extraction using ethanol to obtain bioactive PLs from marine by-products, with promising applications in the pharmaceutical, cosmetic, and food industries.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101742"},"PeriodicalIF":5.5,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087666","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
Harnessing the hidden environmental power of Bjerkandera adusta laccase: Sustainable production, green immobilization, and eco-friendly decolorization of mixed azo dyes 利用 Bjerkandera adusta 漆酶隐藏的环保力量:混合偶氮染料的可持续生产、绿色固定化和环保脱色
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-29 DOI: 10.1016/j.scp.2024.101747
Nevena Ilić , Jelena Filipović Tričković , Marija Milić , Katarina Mihajlovski
{"title":"Harnessing the hidden environmental power of Bjerkandera adusta laccase: Sustainable production, green immobilization, and eco-friendly decolorization of mixed azo dyes","authors":"Nevena Ilić ,&nbsp;Jelena Filipović Tričković ,&nbsp;Marija Milić ,&nbsp;Katarina Mihajlovski","doi":"10.1016/j.scp.2024.101747","DOIUrl":"10.1016/j.scp.2024.101747","url":null,"abstract":"<div><p>This research unveils the untapped potential of laccase, derived from the <em>Bjerkandera</em> genus, utilizing it in an immobilized system aimed at detoxifying harmful azo dye effluents from the textile industry, thus contributing to environmental protection. Marking a pioneering achievement, we recorded the highest laccase activity at 94.52 U/g cultivating <em>B. adusta</em>'s mycelium on brewer's spent grain, enhanced with lignocellulosic waste, under meticulously optimized conditions −2.69 g of alkali-pretreated beech sawdust, 0.91 g of cypress cone, and 8-day incubation period. The harvested laccase was subjected to an immobilization process on alkali-pretreated beech sawdust, where, through optimization, we established the ideal conditions (30 mg of carrier, pH 7, and 3.5 h), achieving an immobilization efficiency of 72.24% with a residual activity of 57.64%. Remarkably, both free and immobilized forms of the <em>B. adusta</em> TMF1 laccase enzyme demonstrated formidable efficacy in decolorizing a mix of three distinct azo dyes (Orange G, Eriochrome Black T, and Congo Red), eliminating over 63% of the coloration within just 30 min. The immobilized laccase showed consistent performance across four decolorization cycles. Moreover, the breakdown products of the azo dye mix were analyzed using the HPLC method, complemented by evaluations of potential antimicrobial activity, phytotoxicity and cytotoxicity, revealing a non-toxic composition without cytotoxicity, highlighting the process's safety for environmental release. The significance of this research is reflected in the distinguished construction of a green biocatalyst acting as a stable and time-efficient in remediation of targeted azo dye pollution from the textile industry following the principles of circular economy.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101747"},"PeriodicalIF":5.5,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142099078","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
Study on the microstructure and impermeability of calcium aluminate cement containing metakaolin for development of high-performance marine engineering materials 研究含偏高岭土的铝酸钙水泥的微观结构和抗渗性,以开发高性能海洋工程材料
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-27 DOI: 10.1016/j.scp.2024.101746
Wenwen Ding , Peng Wang , Cuijiao Zhao , Yongjia He , Linnu Lu , Fazhou Wang , Shuguang Hu , Qiwei Zhan
{"title":"Study on the microstructure and impermeability of calcium aluminate cement containing metakaolin for development of high-performance marine engineering materials","authors":"Wenwen Ding ,&nbsp;Peng Wang ,&nbsp;Cuijiao Zhao ,&nbsp;Yongjia He ,&nbsp;Linnu Lu ,&nbsp;Fazhou Wang ,&nbsp;Shuguang Hu ,&nbsp;Qiwei Zhan","doi":"10.1016/j.scp.2024.101746","DOIUrl":"10.1016/j.scp.2024.101746","url":null,"abstract":"<div><p>To provide a high-performance marine engineering material, the microstructure and impermeability of calcium aluminate cement (CAC) containing metakaolin (MK) were studied. The chloride penetration resistance of the CAC-MK and Portland cement (PC) mortars was assessed based on physical and chemical barrier effects. The results show that the alumina in MK is more easily dissolved than silica, which inhibits the transformation of CAH<sub>10</sub> and prevents microstructural deterioration. Adding 7.5% and 15.0% MK reduces the volume of large pores in the 3-day-old CAC paste by 49.8% and 69.1% while increasing the volume of pores smaller than 50 nm by 175.6% and 242.5%, respectively. Moreover, the microstructure of MK-containing CAC pastes becomes denser with age when cured at 40 °C, enhancing the mechanical strength and water penetration resistance. The CAC mortar containing MK exhibits better resistance to chloride attack than PC mortar, due to the stronger chloride binding capacity and migration resistance.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101746"},"PeriodicalIF":5.5,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087665","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
Synthesis of calcium sulfate whiskers via acidification exploiting FGD gypsum for improved binder properties 利用烟气脱硫石膏通过酸化合成硫酸钙晶须以改善粘合剂性能
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-25 DOI: 10.1016/j.scp.2024.101745
Aakriti , Soumitra Maiti , Neeraj Jain , Parul Prajapati
{"title":"Synthesis of calcium sulfate whiskers via acidification exploiting FGD gypsum for improved binder properties","authors":"Aakriti ,&nbsp;Soumitra Maiti ,&nbsp;Neeraj Jain ,&nbsp;Parul Prajapati","doi":"10.1016/j.scp.2024.101745","DOIUrl":"10.1016/j.scp.2024.101745","url":null,"abstract":"<div><p>This research focuses on the synthesis of calcium sulfate whiskers using FGD (Flue Gas Desulfurization) gypsum as raw material through the acidification method and their utilization in gypsum binders. The acidification method using H<sub>2</sub>SO<sub>4</sub> (1.5 mol/L) is distinguished by its sustainability and resource efficiency. The addition of Calcium Sulfate Whisker as an activator enhances the binder's properties by increasing its strength, durability, resistance to environmental factors, and overall structural integrity. The effects of different reaction parameters on the properties and microstructure of CSW have been studied. This research has the potential to bring about significant improvements in various applications, from construction materials to industrial products. Calcium Sulfate Whiskers act as pore fillers within the binder matrix which reduces the porosity and helps to decrease water absorption up to 12%. CSW is characterized by its needle-like structure, which provides an intricate network within the binder matrix. SEM images showed the strong interfacial bonding between the whiskers and the binder matrix, enhanced by the rough surface of the whiskers, which improves mechanical interlocking and adhesion. CSW demonstrates its potential as a highly active component in the binder. The whiskers facilitate efficient nucleation sites, accelerating the hydration reactions within the binder and enhancing the overall performance of the binder. CSW incorporation in the binder increases the compressive strength by up to 21.6% and flexural strength by 37%. The exceptional mechanical strength and efficient nucleation sites provided by CSW contribute to an increase in the workability of the binder and make it suitable for interior as well as exterior applications. These interconnected facets collectively position the project as a valuable and highly pertinent contribution, where sustainable innovation and improved material properties are of paramount importance. It potentially reduces the need for traditional additives with higher environmental impacts, making the binder formulation more eco-friendly.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101745"},"PeriodicalIF":5.5,"publicationDate":"2024-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142058465","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
Exploring environmental sustainability through dimension reduction algorithms: A cost-effective UV spectroscopic method for simultaneous determination of veterinary binary mixtures of doxycycline hydrochloride and tylosin tartrate 通过降维算法探索环境可持续性:同时测定兽用盐酸多西环素和酒石酸泰乐菌素二元混合物的经济高效紫外光谱法
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-24 DOI: 10.1016/j.scp.2024.101743
Mostafa M. Eraqi , Ayman M. Algohary , Ahmed M. Ibrahim
{"title":"Exploring environmental sustainability through dimension reduction algorithms: A cost-effective UV spectroscopic method for simultaneous determination of veterinary binary mixtures of doxycycline hydrochloride and tylosin tartrate","authors":"Mostafa M. Eraqi ,&nbsp;Ayman M. Algohary ,&nbsp;Ahmed M. Ibrahim","doi":"10.1016/j.scp.2024.101743","DOIUrl":"10.1016/j.scp.2024.101743","url":null,"abstract":"<div><p>This study presents a cost-effective and environmentally friendly approach for the simultaneous determination of a veterinary binary mixture comprising doxycycline hydrochloride (DOX) and tylosin tartrate (TYZ) utilizing UV spectroscopy alongside dimension reduction algorithms (DRAs). Seventeen DRAs were evaluated, and their performances were compared based on four metrics: mean squared error (MSE), mean absolute error (MAE), median absolute error (MedAE), and coefficient of determination (R<sup>2</sup>). Based on the performance indices, Isomap algorithm demonstrated the highest predictive capacity among all DRAs. MSE, MAE, MedAE and R<sup>2</sup> values of (0.38, 0.28, 0.19 and 0.999) and (0.08, 0.26, 0.22 and 0.998) were obtained for calibration and test datasets, respectively across a concentration range 4.67–30 μg mL<sup>−1</sup> for DOX. MSE, MAE, MedAE and R<sup>2</sup> values of (0.54, 0.34, 0.19 and 0.994) and (0.07, 0.19, 0.07 and 0.998) were obtained for calibration and test datasets, respectively across a concentration range 3.51–24 μg mL<sup>−1</sup> for TYZ. The developed method underwent validation utilizing the accuracy profile approach. An ecological impact assessment was carried out employing six greenness evaluation tools: The Green Solvent Selection Tool (GSST), National Environmental Methods Index (NEMI), the Assessment of Green Profile (AGP), carbon footprint analysis, Analytical Greenness Calculator (AGREE), and Complementary Green Analytical Procedure Index (Complex GAPI). Additionally, we applied blueness and whiteness assessments using Blue Applicability Grade Index (BAGI) and Red-Green-Blue 12 (RGB 12) algorithms, respectively. The proposed method demonstrated higher GSST scores, a more \"green\" profile in NEMI, a superior AGP profile, and better environmental sustainability in Complex GAPI. The calculated carbon footprint value was 0.0002 kg CO2 equivalent per sample, The AGREE score was 0.87, BAGI was assessed at 72.5, and the whiteness assessment by the RGB12 algorithm was 89.6. Statistical comparison of the proposed method with a previously reported HPLC method for dosage form analysis revealed no significant differences at a 95% confidence level. This study highlights the novelty of combining UV spectroscopy with dimension reduction algorithms, offering significant advancements over traditional UV and chemometric methods for the analysis of these drugs. This approach not only enhances the efficiency and accuracy of determining active ingredients in pharmaceutical dosage forms but also contributes to environmental sustainability.</p></div>","PeriodicalId":22138,"journal":{"name":"Sustainable Chemistry and Pharmacy","volume":"42 ","pages":"Article 101743"},"PeriodicalIF":5.5,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142050037","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
Homogenate-ultrasonic pretreatment followed by microwave hydrodistillation of essential oil from rosemary (Rosmarinus officinalis L.) leaves: Kinetic, chemical composition, and biological activity 迷迭香(Rosmarinus officinalis L.)叶片匀浆-超声波预处理后的微波水蒸馏精油:动力学、化学成分和生物活性
IF 5.5 2区 化学
Sustainable Chemistry and Pharmacy Pub Date : 2024-08-23 DOI: 10.1016/j.scp.2024.101744
Fengli Chen , Xuechao Su , Tianhao Yan , Xuye Fu , Yalu Wang , Duqiang Luo , Qiang Zhang
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