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Modeling and optimal control of rotavirus transmission dynamics with cost effectiveness 具有成本效益的轮状病毒传播动力学建模与最优控制
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2026-01-02 DOI: 10.1016/j.sciaf.2025.e03161
Jeremiah January , Gasper Mwanga , Isack E. Kibona , Nyimvua Shaban Mbare
<div><div>An optimal control model for rotavirus transmission was formulated to minimize both the cost of implementing interventions and the burden of infection among children and caregivers. The model integrates five time-dependent control functions: vaccination of children (<span><math><msub><mrow><mi>u</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>), public health education (<span><math><msub><mrow><mi>u</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>), treatment of infected children (<span><math><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>), water treatment and sanitation (<span><math><msub><mrow><mi>u</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span>), and hygiene promotion (<span><math><msub><mrow><mi>u</mi></mrow><mrow><mn>5</mn></mrow></msub></math></span>). Pontryagin’s Maximum Principle was applied to derive the necessary conditions for optimality, and numerical simulations were conducted using the Runge–Kutta method to determine the optimal time-dependent control profiles and corresponding epidemiological outcomes. Simulation results at <span><math><mrow><mi>t</mi><mo>=</mo><mn>220</mn></mrow></math></span> days indicate a substantial reduction in rotavirus infections among children and caregivers when integrated controls are applied. The number of infected and hospitalized children (<span><math><msub><mrow><mi>I</mi></mrow><mrow><mi>b</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>H</mi></mrow><mrow><mi>b</mi></mrow></msub></math></span>) approach zero, while the vaccinated population (<span><math><msub><mrow><mi>V</mi></mrow><mrow><mi>b</mi></mrow></msub></math></span>) reaches approximately <span><math><mrow><mn>2</mn><mo>.</mo><mn>58</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>7</mn></mrow></msup></mrow></math></span>, confirming the central role of vaccination in suppressing new infections. The concentration of environmental rotavirus particles (<span><math><msub><mrow><mi>C</mi></mrow><mrow><mi>r</mi></mrow></msub></math></span>) also tends to zero, highlighting the combined efficacy of hygiene and sanitation interventions in reducing environmental transmission. Among the evaluated control strategies, the combination of vaccination, treatment, and hygiene (<span><math><msub><mrow><mi>S</mi></mrow><mrow><mn>13</mn></mrow></msub></math></span>) emerges as both the most cost-effective and epidemiologically impactful strategy. This approach achieves near-complete elimination of child infections at a moderate total cost of approximately $6.17<span><math><mrow><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>11</mn></mrow></msup></mrow></math></span>, yielding the best balance between health outcomes and economic feasibility. In contrast, the single-control strategies (<span><math><msub><mrow><mi>S</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>–<span><math><msub><mrow><mi>S</mi></mrow><mrow><mn>5</mn></mrow></msub></math></span>)
制定了轮状病毒传播的最优控制模型,以最大限度地减少实施干预措施的成本和儿童及其照料者的感染负担。该模型整合了五个随时间变化的控制功能:儿童疫苗接种(u1)、公共卫生教育(u2)、受感染儿童的治疗(u3)、水处理和卫生(u4)以及卫生促进(u5)。采用庞特里亚金极大值原理推导出最优性的必要条件,并采用龙格-库塔法进行数值模拟,以确定最优的时间相关控制剖面和相应的流行病学结果。第220天的模拟结果表明,采用综合控制措施后,儿童和照料者的轮状病毒感染大幅减少。感染和住院儿童(Ib和Hb)的数量接近于零,而接种疫苗的人口(Vb)达到约2.58×107,证实了疫苗接种在抑制新感染方面的核心作用。环境轮状病毒颗粒(Cr)的浓度也趋向于零,突出了卫生和环境卫生干预措施在减少环境传播方面的综合效果。在评估的控制策略中,疫苗接种、治疗和卫生相结合(S13)是最具成本效益和流行病学影响的策略。这一方法几乎完全消除了儿童感染,总成本适中,约为6.17×1011美元,在保健结果和经济可行性之间取得了最佳平衡。相比之下,单一控制策略(S1-S5)尽管成本较低,但仍能最大限度地减少感染,而涉及所有五种干预措施的多控制策略(S17)以高得多的成本提供了边际流行病学改善。成本效益分析以减少的每卫生单位成本表示,确定疫苗接种(u1)和治疗(u3)是财务成本的主要来源,而坚持个人卫生(u5)、环境卫生(u4)和教育(u2)以最小的边际成本提供了强大的流行病学效益。这表明,当疫苗接种和治疗与持续的卫生习惯相结合时,而不是通过昂贵的全面干预措施,就能实现最佳的疾病控制。总体而言,结果证实,有针对性的多重控制策略,特别是S13p,为减少轮状病毒传播、最大限度地减少感染和优化公共卫生支出提供了最实用和可持续的途径。
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The model integrates five time-dependent control functions: vaccination of children (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;), public health education (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;), treatment of infected children (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;), water treatment and sanitation (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;), and hygiene promotion (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;). Pontryagin’s Maximum Principle was applied to derive the necessary conditions for optimality, and numerical simulations were conducted using the Runge–Kutta method to determine the optimal time-dependent control profiles and corresponding epidemiological outcomes. Simulation results at &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;t&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;220&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; days indicate a substantial reduction in rotavirus infections among children and caregivers when integrated controls are applied. The number of infected and hospitalized children (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;b&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;H&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;b&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) approach zero, while the vaccinated population (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;b&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) reaches approximately &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;58&lt;/mn&gt;&lt;mo&gt;×&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;7&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, confirming the central role of vaccination in suppressing new infections. The concentration of environmental rotavirus particles (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) also tends to zero, highlighting the combined efficacy of hygiene and sanitation interventions in reducing environmental transmission. Among the evaluated control strategies, the combination of vaccination, treatment, and hygiene (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;13&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) emerges as both the most cost-effective and epidemiologically impactful strategy. This approach achieves near-complete elimination of child infections at a moderate total cost of approximately $6.17&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;×&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;11&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, yielding the best balance between health outcomes and economic feasibility. In contrast, the single-control strategies (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;–&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;)","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03161"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A novel spatially enabled neural model for flood susceptibility in Northern Morocco 摩洛哥北部洪水易感性的一个新的空间神经模型
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2025-12-18 DOI: 10.1016/j.sciaf.2025.e03148
Wassima Moutaouakil , Soufiane Hamida , Asmae Ouhmida , Oussama El Gannour , Bouchaib Cherradi , Abdelhadi Raihani
Flooding remains a major hazard in northern Morocco, where rapid urban growth and limited monitoring systems heighten the need for reliable flood susceptibility assessment. This study addresses this challenge by developing a Long Short-Term Memory (LSTM) Deep Learning (DL) model capable of predicting flood‐prone areas using satellite imagery and Geographic Information System (GIS) data. Eleven flood conditioning factors were incorporated, including elevation, slope, aspect, Stream Power Index (SPI), Topographic Position Index (TPI), Topographic Wetness Index (TWI), curvature, drainage density (DD), distance to rivers (DR), Normalized Difference Vegetation Index (NDVI), and land use (LU). Unlike previous studies relying on static GIS factors or traditional Machine Learning (ML) methods, this work evaluates how the influence of 11 conditioning factors varies across regions and tests the cross-regional transferability of the LSTM model. A balanced dataset of 1946 samples was generated through data augmentation, and optimization techniques were implemented to enhance model performance. The proposed model achieved an accuracy of 96.06 %, a precision of 94.56 %, a recall of 97.54 %, and an area under the Receiver Operating Characteristic (ROC) curve (AUC) of 96.10 %, confirming its strong predictive capability. These findings show that LSTM can accurately capture spatial environmental patterns linked to flood occurrence, offering valuable support for urban planning, early warning systems, and improved flood risk management in data-scarce regions.
洪水仍然是摩洛哥北部的一个主要灾害,在那里,快速的城市增长和有限的监测系统增加了对可靠的洪水易感性评估的需求。本研究通过开发长短期记忆(LSTM)深度学习(DL)模型来解决这一挑战,该模型能够使用卫星图像和地理信息系统(GIS)数据预测洪水易发地区。纳入了11个洪水调节因子,包括高程、坡度、坡向、河流功率指数(SPI)、地形位置指数(TPI)、地形湿度指数(TWI)、曲率、排水密度(DD)、河流距离(DR)、归一化植被指数(NDVI)和土地利用(LU)。与以往依赖静态GIS因素或传统机器学习(ML)方法的研究不同,这项工作评估了11个条件因素在不同地区的影响,并测试了LSTM模型的跨地区可转移性。通过数据扩充生成了一个包含1946个样本的平衡数据集,并利用优化技术提高了模型的性能。该模型的准确率为96.06%,精密度为94.56%,召回率为97.54%,受试者工作特征曲线下面积(AUC)为96.10%,具有较强的预测能力。这些发现表明,LSTM可以准确捕捉与洪水发生相关的空间环境格局,为数据稀缺地区的城市规划、预警系统和改善洪水风险管理提供有价值的支持。
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引用次数: 0
Prediction and optimization of the thermomechanical performance of carbon-free Adobe bricks reinforced with straw and sawdust using machine learning 利用机器学习预测和优化秸秆和锯末增强无碳土坯砖的热力学性能
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2025-12-31 DOI: 10.1016/j.sciaf.2025.e03167
Abdelmounaim Alioui , Mohamed-Amine Babay , Mohammed Benfars , Youness Azalam , Samir Idrissi Kaitouni , El Maati Bendada , Mustapha Mabrouki
This study proposes and applies a machine-learning-driven optimization framework to predict and enhance the thermomechanical performance of carbon-free adobe bricks reinforced with straw and sawdust. To move beyond trial-and-error mix design under a strength–insulation trade-off, the study establishes reproducible mix-selection rules that reduce experimental iterations. Experimental tests show that adding small amounts of straw (1% and 2%) significantly improves compressive strength, increasing it from 5.41 MPa to 9.62 MPa (+78%) and 7.93 MPa (+46.5%), respectively; however, higher dosages lead to a decrease in strength due to excessive porosity. Sawdust reduces mechanical strength but improves insulation by lowering thermal conductivity from 0.632 W/m.K for the reference brick to 0.145 W/m.K at 10% sawdust. Mixed formulations provided the best compromise: with approximately 0.5–4% sawdust and 0.5–4% straw, they maintained compressive strengths above the minimum requirement of 2.07 MPa established by the Mexican adobe construction standard. A measured dataset (density/porosity, Rc/Rf, λ and Cp) was used to train surrogate models with a 70/15/15 train–validation–test split, 5-fold cross-validation, and grid-search tuning. The machine learning models exhibited distinct predictive capabilities, achieving R² = 0.323–0.566 for compressive strength and R² = 0.794–0.991 for thermal conductivity, and multi-objective optimization (Pareto-based selection) further revealed that hybrid mixtures offer the most balanced solutions. These findings confirm the potential of agricultural waste valorization for the production of eco-friendly building materials and establish a systematic methodology that combines experimental work with artificial intelligence to optimize sustainable adobe bricks.
本研究提出并应用了一个机器学习驱动的优化框架来预测和提高秸秆和锯末增强的无碳土坯砖的热力学性能。为了超越在强度-绝缘权衡下的试错混合设计,该研究建立了可重复的混合选择规则,减少了实验迭代。试验结果表明,添加少量秸秆(1%和2%)可显著提高抗压强度,抗压强度分别由5.41 MPa提高到9.62 MPa(+78%)和7.93 MPa (+46.5%);然而,较高的剂量导致强度下降,由于过度的孔隙率。锯末降低机械强度,但通过降低导热系数从0.632 W/m提高绝缘。参考砖K为0.145 W/m。K在10%锯末。混合配方提供了最好的折衷方案:大约0.5-4%的锯末和0.5-4%的稻草,它们保持抗压强度高于墨西哥土坯建筑标准规定的2.07 MPa的最低要求。使用测量的数据集(密度/孔隙度、Rc/Rf、λ和Cp)以70/15/15的训练-验证-测试分割、5倍交叉验证和网格搜索调优来训练代理模型。机器学习模型表现出明显的预测能力,抗压强度R²= 0.323-0.566,导热系数R²= 0.794-0.991,多目标优化(Pareto-based selection)进一步揭示了混合混合物提供最平衡的解决方案。这些发现证实了农业废弃物在生产环保建筑材料方面的潜力,并建立了一种将实验工作与人工智能相结合的系统方法,以优化可持续的土坯砖。
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引用次数: 0
A new and generalized family of heavy-tailed-Topp-Leone-type II exponentiated half logistic-G distribution with applications 一类新的广义重尾topp - leone型指数半logistic-G分布及其应用
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2025-12-01 DOI: 10.1016/j.sciaf.2025.e03115
Oarabile Lekhane , Gomolemo Jacqueline Lekono , Broderick Oluyede , Lesego Gabaitiri
We develop a novel family of distributions named heavy-tailed Topp-Leone-type II exponentiated half logistic distribution. Several mathematical properties including linear representation, Rényi entropy, quantile function, probability weighted moments, and distribution of order statistics are obtained. Estimation methods including maximum likelihood estimation, Cramér-von Mises, Anderson–Darling, right-tail Anderson–Darling, ordinary least squares and weighted least squares are compared using simulation studies to identify which method is most appropriate for the new distribution. Weibull and log–logistic distributions are used as baseline distributions to demonstrate the flexibility of the density and hazard rate functions of the new family of distributions. In addition, several actuarial measures including tail value at risk, tail variance, value at risk and tail variance premium are explored and their numerical studies are conducted to verify that the new distribution is heavy-tailed. These risk measures are used in fields such as finance to compare the risk of several investment portfolios. A special model of the new distribution called heavy tailed Topp-Leone exponentiated half logistic-log logistic is used to show its usefulness in a real life health data, where it fitted covid-19 and hydrology data sets better than competing distributions based on several goodness-of-fit statistics.
我们发展了一类新的分布,称为重尾topp - leone型II型指数半logistic分布。得到了线性表示、rsamnyi熵、分位数函数、概率加权矩和序统计量分布等数学性质。通过仿真研究比较了极大似然估计、cram -von Mises、Anderson-Darling、右尾Anderson-Darling、普通最小二乘和加权最小二乘等估计方法,以确定哪种方法最适合新分布。使用威布尔分布和对数逻辑分布作为基线分布,以展示新分布族的密度和危险率函数的灵活性。此外,对尾风险值、尾方差、尾风险值和尾方差溢价等精算测度进行了探讨,并对其进行了数值研究,验证了新分布是重尾分布。这些风险度量在金融等领域用于比较几种投资组合的风险。新分布的一种特殊模型被称为重尾Topp-Leone指数半logistic-log logistic,用于显示其在现实生活健康数据中的实用性,其中它比基于几个拟合优度统计的竞争分布更适合covid-19和水文数据集。
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引用次数: 0
Exploring the lifecycle of ferrosilicon for dense media separation in Botswana mining sector: A brief overview 探索硅铁的生命周期为重介质分离在博茨瓦纳矿业部门:简要概述
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2025-11-28 DOI: 10.1016/j.sciaf.2025.e03116
Phemo T. Sebobi , Babatunde Abiodun Obadele , Prasad Raghupatruni , Enoch Nifise Ogunmuyiwa
Ferrosilicon (FeSi), a metallic alloy of iron (Fe) and silicon (Si) has been a critical component in Dense Medium Separation (DMS) processes since the 1950s in the mineral processing industry. Since then, FeSi has been utilized to separate various minerals such as diamonds, gold, tin, tungsten, and iron from less valuable material, i.e. gangue. The use of FeSi as a separation medium remains prominent today. This review provides a comprehensive analysis of FeSi’s lifecycle in DMS, from production using the electric submerged arc furnace to its role in ensuring separation efficiency, medium stability, and loss mitigation strategies. Key factors affecting FeSi performance, such as viscosity, stability, contamination, and corrosion, are explored, along with emerging techniques for improving its sustainability and cost-effectiveness. Additionally, this paper proposes a case study on the potential for FeSi production in Botswana, leveraging local raw materials such as iron ore and silica to support economic growth. Future advancements in FeSi recovery and process optimization are also discussed. By addressing quality standards, environmental considerations, and economic feasibility, this review aims to provide a valuable reference for researchers and industry professionals seeking to enhance the efficiency and longevity of FeSi in DMS applications.
硅铁(FeSi)是一种铁(Fe)和硅(Si)的金属合金,自20世纪50年代以来一直是矿物加工工业中重介质分离(DMS)过程的关键组成部分。从那时起,FeSi就被用于从不值钱的材料(如脉石)中分离出各种矿物,如钻石、金、锡、钨和铁。FeSi作为分离介质的使用今天仍然很突出。这篇综述提供了FeSi在DMS中的生命周期的全面分析,从使用电埋弧炉的生产到它在确保分离效率、介质稳定性和减少损失策略方面的作用。探讨了影响FeSi性能的关键因素,如粘度、稳定性、污染和腐蚀,以及提高其可持续性和成本效益的新兴技术。此外,本文还提出了一个案例研究,研究博茨瓦纳生产稀土的潜力,利用当地的铁矿石和二氧化硅等原材料来支持经济增长。同时,还讨论了FeSi回收和工艺优化的未来进展。通过对质量标准、环境因素和经济可行性的考虑,本综述旨在为寻求提高FeSi在DMS应用中的效率和寿命的研究人员和行业专业人员提供有价值的参考。
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引用次数: 0
Spatio-temporal evolution of the surface dynamics and the underground water flow of the natural lake Tamda (Middle Atlas, Morocco) 摩洛哥中阿特拉斯天然湖泊Tamda地表动态与地下水流动的时空演变
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2026-01-07 DOI: 10.1016/j.sciaf.2026.e03178
Jamal Abbach , Said El Moussaoui , Hajar El Talibi , Charaf Eddine Bouiss
Lake Tamda is a temporary endorheic lake located in the central Middle Atlas (Morocco) that exhibits pronounced seasonal filling and drying phases. This study aims to quantify the respective roles of climatic forcing and subsurface drainage in controlling the lake’s hydrological dynamics within a semi-arid mountain environment. We combine multi-temporal satellite observations (2011–2021) with field measurements, piezometric data, and rainfall records to track variations in lake surface area and groundwater response. Results show that lake expansion is strongly controlled by winter–spring precipitation and snowmelt, while rapid summer drawdown cannot be explained by evaporation alone. Instead, drainage through karstified carbonate bedrock and permeable zones within the landslide dam plays a major role in water loss, with structural lineaments aligning the lake with downstream wells and springs. During recent dry years (2019–2021), reduced rainfall and rising temperatures led to recurrent complete desiccation by late summer. These findings demonstrate that Lake Tamda functions as a precipitation-filled, fracture-drained seasonal lake highly sensitive to climate variability. The lake represents both a valuable geoheritage site and a vulnerable hydrosystem, highlighting the need for integrated hydrogeological monitoring to assess future impacts of climate change.
Tamda湖是位于摩洛哥中部阿特拉斯的一个临时内河湖泊,具有明显的季节性填充和干燥阶段。本研究旨在量化气候强迫和地下排水在控制半干旱山地环境下湖泊水文动态中的各自作用。我们将多时相卫星观测(2011-2021年)与野外测量、测压数据和降雨记录相结合,跟踪湖泊表面积和地下水响应的变化。结果表明,冬春季降水和融雪对湖泊的扩张有强烈的控制作用,而夏季的快速萎缩不能仅用蒸发来解释。相反,通过喀斯特碳酸盐基岩和滑坡坝内渗透带的排水在水分流失中起主要作用,其结构轮廓使湖泊与下游水井和泉水对齐。在最近的干旱年份(2019-2021年),降雨量减少和气温上升导致夏末经常完全干燥。这些结果表明,坦达湖是一个对气候变化高度敏感的降水填充、裂缝排水的季节性湖泊。该湖既是宝贵的地质遗产,也是脆弱的水文系统,因此需要进行综合水文地质监测,以评估气候变化对未来的影响。
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引用次数: 0
NEETs phenomenon as a socioeconomic epidemic: Support for policymakers on the role of migration aspirations and proximity to economic powers 作为社会经济流行病的啃老族现象:对政策制定者关于移民愿望和接近经济大国作用的支持
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.sciaf.2026.e03219
Nidal Filali Baba , Ali El Myr , Youssef Bakadir , Hamed Rahmani
This paper examines the NEET phenomenon as a socioeconomic epidemic. It addresses NEET dynamics at both the population and individual levels in North Africa. We argue that NEET status is transmitted through ideational contact and propose that proximity to Europe and migration aspirations act as non-traditional factors in this transmission. The analysis draws on multiple data sources. From a cross-country perspective, we rely on the World Bank’s and SAHWA’s surveys covering 45 African countries. From an intra-country perspective, we draw on longitudinal data from the Moroccan National Employment Survey, the World Bank (2014–2022), and local administrative archives to analyze Morocco’s NEET dynamics as a representative case for North Africa.
This study makes several original contributions. First, it conceptualizes the NEET phenomenon as a socioeconomic epidemic that spreads among individuals through contact with other NEETs. Second, it adapts the Susceptible–Infected–Recovered (SIR) model to analyze NEET dynamics in Morocco. This innovative approach allows us to construct the basic reproduction number (R0) and to identify thresholds that govern NEET trends: stagnation, extinction, and persistence. Theoretically, this approach demonstrates the relevance of epidemiological modeling in explaining how socioeconomic phenomena like NEETs spread and persist. Practically, it identifies a critical threshold for policymakers, beyond which the spread of NEETs becomes difficult to reverse.
The findings further show that proximity to major economic centers and strong migration aspirations contribute to the expansion of NEETs. This underscores the need for integrated policy responses to curb the growth of NEET populations in their origin countries and prevent their effects from spilling over into destination countries.
本文将啃老族现象视为一种社会经济流行病。它涉及北非人口和个人两级的啃老族动态。我们认为,啃老族身份是通过观念接触传播的,并提出靠近欧洲和移民愿望是这种传播的非传统因素。该分析利用了多个数据源。从跨国的角度来看,我们依靠的是世界银行和SAHWA对45个非洲国家的调查。从国家内部的角度来看,我们借鉴了摩洛哥国家就业调查、世界银行(2014-2022)和地方行政档案的纵向数据,分析了摩洛哥作为北非代表性案例的NEET动态。这项研究有几个原创性的贡献。首先,它将啃老族现象概念化为一种社会经济流行病,通过与其他啃老族的接触在个人之间传播。其次,它采用易感-感染-恢复(SIR)模型来分析摩洛哥的NEET动态。这种创新的方法使我们能够构建基本的繁殖数(R0),并确定控制啃老族趋势的阈值:停滞、灭绝和持续。从理论上讲,这种方法证明了流行病学模型在解释像啃老族这样的社会经济现象如何传播和持续方面的相关性。实际上,它为政策制定者确定了一个关键门槛,超过这个门槛,啃老族的蔓延就很难逆转。研究结果进一步表明,靠近主要经济中心和强烈的移民愿望促进了啃老族的扩张。这突出表明需要采取综合政策对策,遏制啃老族人口在原籍国的增长,并防止其影响蔓延到目的地国。
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引用次数: 0
Molecular modeling and virtual screening for computer-aided design of plant protoporphyrinogen IX oxidase (PPO) inhibitors 植物原卟啉原IX氧化酶(PPO)抑制剂计算机辅助设计的分子建模和虚拟筛选
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.sciaf.2026.e03208
Sounkolé Marius Gloua , Akori Elvice Esmel , Emma Georgina Hueva Zoro , Melalie Keita , Eugene Megnassan
<div><div>Protoporphyrinogen Oxidase IX (PPO) is a key target for agricultural herbicide design. In this study, we propose novel virtual PPO inhibitors using computer-aided 3D-QSAR combinatorial molecular design. Starting from the crystal structure of the PPO complex with a of fluazolate [4-Bromo-3-(5’-carboxy-4’-chloro-2’-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol] (pdb code: 1SEZ), <em>in situ</em> modifications were made to generate first the 3D structure of the PPO-DPE1 complex and then a training set of sixteen (16) diphenyl ethers (DPE) with known experimental activities. A significant correlation was established between the relative Gibbs Free Energy (rGFE) of complex formation <span><math><mrow><mo>(</mo><mrow><mstyle><mi>Δ</mi></mstyle><mstyle><mi>Δ</mi></mstyle><msub><mi>G</mi><mrow><mi>c</mi><mi>o</mi><mi>m</mi></mrow></msub></mrow><mo>)</mo></mrow></math></span> and the observed PPO inhibitory potency <span><math><mrow><mo>(</mo><mrow><mi>p</mi><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>e</mi><mi>x</mi><mi>p</mi></mrow></msubsup></mrow><mo>)</mo></mrow></math></span>, expressed as <span><math><mrow><mi>p</mi><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>e</mi><mi>x</mi><mi>p</mi></mrow></msubsup><mo>=</mo><mo>−</mo><mn>0.1735</mn><mspace></mspace><mstyle><mi>Δ</mi></mstyle><mstyle><mi>Δ</mi></mstyle><msub><mi>G</mi><mrow><mi>c</mi><mi>o</mi><mi>m</mi></mrow></msub><mo>+</mo><mn>7.902</mn><mo>,</mo></mrow></math></span> with <span><math><mrow><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup><mo>=</mo><mn>0.96</mn></mrow></math></span>. A 3D-QSAR pharmacophore (PH4) model, derived from active DPE conformations, was used to screen a virtual library of 161,051 compounds. The predictive robustness of PH4 <span><math><mrow><mo>(</mo><mrow><mi>p</mi><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>e</mi><mi>x</mi><mi>p</mi></mrow></msubsup><mo>=</mo><mspace></mspace><mn>1.0077</mn><mspace></mspace><mi>p</mi><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msubsup><mo>−</mo><mn>0.048</mn><mo>,</mo><mspace></mspace><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup><mo>=</mo><mn>0.81</mn></mrow><mo>)</mo></mrow></math></span>, validated the selection of seventy (70) novel DPE analogues, with the most active exhibiting a predicted <span><math><mrow><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>p</mi><mi>r</mi><mi>e</mi></mrow></msubsup><mo>=</mo><mn>200</mn><mrow><mspace></mspace><mtext>pM</mtext></mrow><mo>,</mo><mspace></mspace></mrow></math></span>90 times more potent than DPE1 <span><math><mrow><mo>(</mo><mrow><mi>I</mi><msubsup><mi>C</mi><mrow><mn>50</mn></mrow><mrow><mi>e</mi><mi>x</mi><mi>p</mi></mrow></msubsup><mo>=</mo><mn>18</mn><mo>,</mo><mn>000</mn><mrow><mspace></mspace><mtext>pM</mtext></mrow></mrow><mo>)</mo></mrow></math></span>. Molecular dynamics simulations on the four (4) best predicted analogues and DPE1 confir
原卟啉原氧化酶IX (PPO)是农业除草剂设计的关键靶点。在这项研究中,我们使用计算机辅助3D-QSAR组合分子设计提出了新的虚拟PPO抑制剂。从含有氟唑酸[4-溴-3-(5 ' -羧基-4 ' -氯-2 ' -氟苯基)-1-甲基-5-三氟甲基吡唑](pdb代码:1SEZ)的PPO配合物的晶体结构出发,进行原位修饰,首先生成PPO- dpe1配合物的三维结构,然后生成已知实验活性的16(16)个二苯基醚(DPE)的训练集。复合物形成的相对吉布斯自由能(rGFE) (ΔΔGcom)与观察到的PPO抑制效力(pIC50exp)之间存在显著相关,表示为pIC50exp=−0.1735ΔΔGcom+7.902, R2=0.96。利用基于活性DPE构象的3D-QSAR药效团(PH4)模型筛选了包含161,051个化合物的虚拟文库。PH4的预测鲁棒性(pIC50exp=1.0077 - 0.048,R2=0.81)验证了70种新型DPE类似物的选择,其中最活跃的预测IC50pre=200pM,比DPE1 (IC50exp= 18000 pm)强90倍。对四种预测最佳的类似物和DPE1的分子动力学模拟证实了PPO-DPE配合物的构象稳定性,证明了我们方法的有效性。
{"title":"Molecular modeling and virtual screening for computer-aided design of plant protoporphyrinogen IX oxidase (PPO) inhibitors","authors":"Sounkolé Marius Gloua ,&nbsp;Akori Elvice Esmel ,&nbsp;Emma Georgina Hueva Zoro ,&nbsp;Melalie Keita ,&nbsp;Eugene Megnassan","doi":"10.1016/j.sciaf.2026.e03208","DOIUrl":"10.1016/j.sciaf.2026.e03208","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Protoporphyrinogen Oxidase IX (PPO) is a key target for agricultural herbicide design. In this study, we propose novel virtual PPO inhibitors using computer-aided 3D-QSAR combinatorial molecular design. Starting from the crystal structure of the PPO complex with a of fluazolate [4-Bromo-3-(5’-carboxy-4’-chloro-2’-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol] (pdb code: 1SEZ), &lt;em&gt;in situ&lt;/em&gt; modifications were made to generate first the 3D structure of the PPO-DPE1 complex and then a training set of sixteen (16) diphenyl ethers (DPE) with known experimental activities. A significant correlation was established between the relative Gibbs Free Energy (rGFE) of complex formation &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;msub&gt;&lt;mi&gt;G&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;c&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and the observed PPO inhibitory potency &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, expressed as &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0.1735&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;msub&gt;&lt;mi&gt;G&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;c&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;mn&gt;7.902&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; with &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0.96&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;. A 3D-QSAR pharmacophore (PH4) model, derived from active DPE conformations, was used to screen a virtual library of 161,051 compounds. The predictive robustness of PH4 &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mn&gt;1.0077&lt;/mn&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0.048&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0.81&lt;/mn&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, validated the selection of seventy (70) novel DPE analogues, with the most active exhibiting a predicted &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;200&lt;/mn&gt;&lt;mrow&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mtext&gt;pM&lt;/mtext&gt;&lt;/mrow&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;90 times more potent than DPE1 &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;msubsup&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mrow&gt;&lt;mn&gt;50&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mi&gt;p&lt;/mi&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;18&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mn&gt;000&lt;/mn&gt;&lt;mrow&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mtext&gt;pM&lt;/mtext&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;. Molecular dynamics simulations on the four (4) best predicted analogues and DPE1 confir","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03208"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimized ANN-based mathematical model and software application for predicting raw mix lime saturation factor for high-quality cement production 基于人工神经网络的高质量水泥生料石灰饱和系数预测优化数学模型及软件应用
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2026-01-27 DOI: 10.1016/j.sciaf.2026.e03195
Lateef Bankole Adamolekun
The rapid increase in population drives a growing demand for expanded infrastructure. Cement quality, crucial for infrastructure performance, is largely influenced by a well-controlled raw mix lime saturation factor (LSF). Accurate LSF estimation relies on integrating precise mathematical formulas into elemental composition analyzers. However, the formulas traditionally utilized in the cement industry, often fall short of capturing underlying complexities of the process. Thus, there is need for more robust mathematical formula to accurately estimate LSF. This study develops LSF predictive models by employing artificial neural networks (ANN) optimized with particle swarm optimization (PSO), Levenberg–Marquardt (LM), and genetic algorithms (GA), using two thousand four hundred and sixty data points obtained via cross belt-analyzer. Dependable variables selected were lime, silica, alumina, and iron oxide. To enhance the practicality and ease of use, the models (LM-ANN, PSO-ANN, and GA-ANN) were converted into mathematical equations and further integrated into software application, in form of simple calculator. The models were validated using 5-fold cross-validation with random sampling, demonstrating consistent, generalization capability, and reliable performance across key metrics including coefficient of determination (R²), root mean squared error (RMSE), and mean absolute error (MAE). The models' performance was benchmarked against the established model proposed by Bogue (1966). The LM-ANN model outperformed both Bogue’s and the other evaluated models, achieving superior results across key metrics: R² = 0.9885, RMSE = 1.7828, relative squared error (RSE) = 9.99 × 10⁻⁷. While all three models are suitable for practical deployment, the LM-ANN model is strongly recommended for industrial applications. The mathematical model can be integrated into elemental composition analyzers to enhance real-time process optimization and improve cement production efficiency. Meanwhile, the software application will serve as a smart tool for rapid LSF estimation and consistent monitoring of analyzer reliability in cement production.
人口的快速增长推动了对扩大基础设施的需求不断增长。水泥质量对基础设施的性能至关重要,它在很大程度上受到控制良好的生料石灰饱和系数(LSF)的影响。准确的LSF估计依赖于将精确的数学公式集成到元素组成分析仪中。然而,水泥工业传统上使用的配方往往无法捕捉到该过程的潜在复杂性。因此,需要更稳健的数学公式来准确估计LSF。本研究采用粒子群优化、Levenberg-Marquardt (LM)和遗传算法优化的人工神经网络(ANN),利用交叉带分析仪获得的2460个数据点,建立了LSF预测模型。选择的可靠变量有石灰、二氧化硅、氧化铝和氧化铁。为了提高实用性和易用性,将模型(LM-ANN、PSO-ANN和GA-ANN)转化为数学方程,并以简单计算器的形式集成到软件应用中。采用随机抽样的5次交叉验证对模型进行了验证,在关键指标(包括决定系数(R²)、均方根误差(RMSE)和平均绝对误差(MAE))上展示了一致性、泛化能力和可靠的性能。模型的性能以Bogue(1966)提出的既定模型为基准。LM-ANN模型优于Bogue的模型和其他被评估的模型,在关键指标上取得了优异的结果:R²= 0.9885,RMSE = 1.7828,相对平方误差(RSE) = 9.99 × 10⁻⁷。虽然这三种模型都适用于实际部署,但强烈建议将LM-ANN模型用于工业应用。该数学模型可集成到元素成分分析仪中,以增强过程的实时优化,提高水泥生产效率。同时,该软件应用程序将作为快速估计LSF的智能工具,并在水泥生产中持续监测分析仪的可靠性。
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引用次数: 0
Synthesis of chitosan-modified poly (lactic-co-glycolic acid) microparticles with pH-dependent controlled-release kinetics to enhance the delivery of potential antidiarrheal medicinal plant extract to the lower gastrointestinal tract 壳聚糖修饰聚乳酸-羟基乙酸微颗粒的合成及其ph依赖性控释动力学,以增强潜在止泻药用植物提取物下胃肠道的递送
IF 3.3 Q2 MULTIDISCIPLINARY SCIENCES Pub Date : 2026-03-01 Epub Date: 2025-12-22 DOI: 10.1016/j.sciaf.2025.e03153
A.M.N. Shatri , Y Lemmer , L Kalombo , V Mandiwana , D.R. Mumbengegwi
Phytotherapy has been used to treat gastroenteritis in many African countries, with medicinal plant extracts from Grewia tenax, Corchorus tridens, and Lantana camara showing strong antibacterial properties against bacteria that cause gastroenteritis. However, issues such as uncontrolled metabolism by gastric juices and instability in the gastrointestinal tract due to varying pH levels reduce the effectiveness of these phytomedicines. This has limited their use as an alternative or complementary treatment for gastroenteritis. To address this, nanotechnology has been employed to improve the pharmacokinetic and pharmacodynamic properties of phytomedicines. This study aimed to develop biodegradable, plant-based, chitosan-modified poly(lactic-co-glycolic acid) (CMPLGA) microparticles for targeted release in the lower gastrointestinal tract. Nanoparticles were created by mixing 12. 5 mg/ml of polymers with 120 mg/ml of antibacterial extracts from G. tenax, C. tridens. and L. camara using a modified double emulsion (W 1/O/W 2) and solvent evaporation method. The size and zeta potential of the nanoparticles were measured using photon correlation spectroscopy and electrophoretic laser Doppler anemometry. Scanning Electron Microscopy was used to examine morphology, and the encapsulation efficiency was determined via UV- vis spectroscopy. In vitro, the release kinetics of the plant extracts from the nanoparticles were investigated using sample separation techniques in simulated gastric and intestinal fluids, without the presence of enzymes. The plant-based CMPLGA nanoparticles were spherical, with sizes ranging from 524 ± 18 nm. 92 nm to 2582 ± 123 nm, and zeta potential from 2. 68 ± 0. 08 mV to 44. 2 ± 0. 100 mV; encapsulation efficiency was greater than 89.8 %. The release of phytomedicine from the nanoparticles depended on pH, with <2 % release at pH 1. 2 and over 50 % release at pH 7. 7.4. These CMPLGA nanoparticles improved the stability of the antibacterial phytomedicine in acidic conditions similar to those in the upper GI tract. They may serve as an effective vehicle for future drug delivery targeting gastrointestinal pathogens in the lower GI tract.
在许多非洲国家,植物疗法已被用于治疗胃肠炎,药用植物提取物来自藤属植物(Grewia tenax)、砗磲草(Corchorus tridens)和大蕉(Lantana camara),它们对引起胃肠炎的细菌具有很强的抗菌特性。然而,诸如胃液代谢失控和胃肠道不稳定等问题由于pH值的变化降低了这些植物药物的有效性。这限制了它们作为肠胃炎的替代或补充治疗的使用。为了解决这个问题,纳米技术已被用于改善植物药物的药代动力学和药效学特性。本研究旨在开发可生物降解的植物基壳聚糖修饰的聚乳酸-羟基乙酸(CMPLGA)微颗粒,用于下胃肠道靶向释放。纳米颗粒是通过混合12。5毫克/毫升的聚合物,120毫克/毫升的抗菌提取物,从天竺葵,三叉戟。采用改性双乳液(w1 /O/ w2)和溶剂蒸发法制备L. camara。利用光子相关光谱和电泳激光多普勒风速法测定了纳米粒子的尺寸和zeta电位。采用扫描电镜观察其形貌,紫外可见光谱法测定其包封效率。在体外,利用样品分离技术研究了纳米颗粒中植物提取物在没有酶存在的模拟胃液和肠液中的释放动力学。植物基CMPLGA纳米颗粒为球形,粒径范围为524±18 nm、92 nm ~ 2582±123 nm, zeta电位为2。68±0。08 mV到44。2±0。100 mV;包封率大于89.8%。植物药的释放与pH值有关,pH值为1时释放量为2%。在pH值为7时,释放量超过50%。7.4. 这些CMPLGA纳米颗粒提高了抗菌植物药在类似于上消化道酸性条件下的稳定性。它们可以作为一种有效的载体,为未来的药物输送靶向胃肠道病原体在下消化道。
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