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Optimal control with the effects of ivermectin and livestock availability on malaria transmission 伊维菌素和牲畜可用性对疟疾传播的最佳控制效果
Pub Date : 2024-08-10 DOI: 10.46481/jnsps.2024.2025
Josephine Elamma Ochigbo, J. Ndam, Wipuni U. Sirisena
Malaria remains a global threat and the conventional methods used for combating the disease leave out mosquitoes that feed outdoors and this study addresses the challenge posed by such mosquitoes based on a tool called ivermectin drug which is lethal to mosquitoes that ingest bloodmeal containing a concentration of it. We formulated a mathematical model with three control tools (insecticide treated nets, treatment of infective individuals and ivermectin drug on livestock and human) for the transmission and control of malaria under optimal condition. The model’s basic reproduction number, R0 was estimated and the local and global stability analyses of the disease-free and endemic equilibrium points of the model were analyzed. Sensitivity analysis carried out showed that R0 is most sensitive to the mosquito biting rate and to the proportion of blood meal on human with cattle availability in such a way that any percent increase in the value of any of these parameters will lead to an equal percent increase in the value of R0. The result of an optimal control analysis based on three time dependent controls suggests that the combination of all three controls gives the best result followed by the strategy that combines the use of ivermectin drug and the treatment of infective human. Depending on available resources, any of these is recommended to be adopted in malaria intervention programmes because of their effectiveness on both the infective human and mosquito populations with the potential of contributing significantly to the disease elimination within a minimal time frame.
疟疾仍然是一个全球性威胁,而用于防治疟疾的传统方法忽略了在室外觅食的蚊子,本研究利用一种名为伊维菌素的药物来应对此类蚊子带来的挑战,这种药物对摄入含有一定浓度伊维菌素的血药的蚊子具有杀伤力。我们建立了一个数学模型,其中包含三种控制工具(驱虫蚊帐、对感染者的治疗以及对牲畜和人类使用伊维菌素药物),用于在最佳条件下传播和控制疟疾。对模型的基本繁殖数 R0 进行了估算,并对模型的无病平衡点和流行平衡点的局部和全局稳定性进行了分析。敏感性分析表明,R0 对蚊虫叮咬率和人与牛的血粉比例最为敏感,任何一个参数值增加一个百分点,都会导致 R0 值增加相同的百分点。基于三种时间相关控制的最优控制分析结果表明,将所有三种控制结合在一起可获得最佳结果,其次是将伊维菌素药物的使用和对感染人类的治疗结合在一起的策略。根据现有资源情况,建议在疟疾干预方案中采用其中任何一种方法,因为它们对受感染的人类和蚊子种群都很有效,有可能在最短的时间内为消除疾病做出重大贡献。
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引用次数: 0
Data safety prediction using YOLOv7+G3HN for traffic roads 使用 YOLOv7+G3HN 对交通道路进行数据安全预测
Pub Date : 2024-08-10 DOI: 10.46481/jnsps.2024.2198
Lek Ming Lim, Lu Yang, Ahmad Sufril Azlan Mohamed, Majid Khan Majahar Ali
Pulau Pinang has introduced several measures to enhance traffic safety and promote sustainability, including the installation of CCTV systems and the implementation of smart solutions and green technology as part of the Penang 2030 vision, aligning with the Sustainable Development Goals (SDGs). However, despite these efforts, road accidents persist due to non-optimised detection models, incomplete data from manual reporting, and technological constraints in real-time video analysis and predictive modelling. This study evaluates the effectiveness of the YOLOv7+G3HN framework for vehicle detection and near-miss analysis, with a focus on the influence of video quality on detection performance. The research aims to understand how high- and low-quality video inputs affect the accuracy and computational efficiency of detection algorithms. High[1]quality videos resulted in significantly faster computation times for vehicle detection than low-quality videos, highlighting the importance of video resolution in optimising detection processes. Despite the robustness of the algorithm, with no errors detected in both video qualities, higher miss detection rates in low-quality videos suggest that lower resolution may compromise detection accuracy and the effectiveness of monitoring systems. Near-miss analysis revealed that high-quality videos had a lower probability of near-miss occurrences than low-quality videos, highlighting the importance of video resolution for detection efficacy. These findings emphasise the critical role of high-resolution video inputs in enhancing detection accuracy and reliability, advocating for their implementation to optimise vehicle detection and improve road safety. Additionally, YOLOv7+G3HN outperforms YOLOv7 in both accuracy and speed. The study concludes that the YOLOv7+G3HN framework is effective for vehicle detection and near-miss analysis, provided that video quality is considered in system design and implementation. 
作为槟城 2030 愿景的一部分,槟榔屿推出了多项措施来加强交通安全和促进可持续发展,其中包括安装闭路电视系统、实施智能解决方案和绿色技术,这与可持续发展目标(SDGs)是一致的。然而,尽管做出了这些努力,由于未优化检测模型、人工报告数据不完整以及实时视频分析和预测建模的技术限制,道路交通事故依然存在。本研究评估了 YOLOv7+G3HN 框架在车辆检测和险情分析方面的有效性,重点关注视频质量对检测性能的影响。研究旨在了解高质量和低质量视频输入如何影响检测算法的准确性和计算效率。高[1]质量视频导致车辆检测的计算时间明显快于低质量视频,突出了视频分辨率在优化检测过程中的重要性。尽管该算法具有鲁棒性,在两种质量的视频中均未检测到错误,但低质量视频中较高的漏检率表明,较低的分辨率可能会影响检测精度和监控系统的有效性。近失误分析表明,高质量视频的近失误发生概率低于低质量视频,这凸显了视频分辨率对检测效果的重要性。这些研究结果强调了高分辨率视频输入在提高检测准确性和可靠性方面的关键作用,并主张采用高分辨率视频输入来优化车辆检测和改善道路安全。此外,YOLOv7+G3HN 在准确性和速度方面都优于 YOLOv7。研究得出结论,只要在系统设计和实施过程中考虑到视频质量,YOLOv7+G3HN 框架就能有效地进行车辆检测和险情分析。
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引用次数: 0
Novel way to predict stock movements using multiple models and comprehensive analysis: leveraging voting meta-ensemble techniques 利用多种模型和综合分析预测股票走势的新方法:利用投票元组合技术
Pub Date : 2024-07-27 DOI: 10.46481/jnsps.2024.2039
Akila Dabara Kayit, Mohd Ismail Tahir
The research introduces a method for anticipating stock market patterns by combining machine learning techniques with analysis methods. Multiple machine learning algorithms were integrated to address the limitations of stock market forecasting models. Using web scraping techniques, data were gathered from the S&P500 index over seven years, from September 5, 2016, to August 5, 2023. Companies like Microsoft Corporation (MSFT), Amazon.com Inc. (AMZN), JPMorgan Chase & Co (JPM), and Tesla, Inc. (TSLA) were selected based on their inclusion in the S&P 500 index. LR, RF, SVC, ADAB, and XGBC algorithms were applied as models by utilising optimisation using grid search and single algorithm approaches. Voting methods were employed to combine predictions from these models. The study employed rigorous statistical analyses, including the Kruskal-Wallis test to assess overall differences, followed by Pairwise Dunn’s Test with Bonferroni Correction for detailed algorithm comparisons. Additionally, Bootstrapping was utilised to calculate Confidence Intervals (CI) for robust estimation of algorithm performance. The methodology covered data collection, preprocessing, model training, and performance assessment. The outcomes indicate that the proposed approach accurately forecasts stock trends precisely and dependably. This study contributes to refining stock market prediction methodologies by introducing a strategy that enhances prediction accuracy while offering investors and financial professionals insights. Furthermore, assessing algorithm performance across metrics and companies highlights the versatility and effectiveness of machine-learning approaches in the fields.
研究介绍了一种通过将机器学习技术与分析方法相结合来预测股市模式的方法。该研究整合了多种机器学习算法,以解决股市预测模型的局限性。利用网络刮擦技术,从 S&P500 指数中收集了从 2016 年 9 月 5 日至 2023 年 8 月 5 日的七年数据。微软公司 (MSFT)、亚马逊公司 (AMZN)、摩根大通公司 (JPM) 和特斯拉公司 (TSLA) 等公司被选入标准普尔 500 指数。通过使用网格搜索和单一算法方法进行优化,将 LR、RF、SVC、ADAB 和 XGBC 算法用作模型。采用投票法将这些模型的预测结果结合起来。研究采用了严格的统计分析方法,包括 Kruskal-Wallis 检验来评估总体差异,然后用带 Bonferroni 校正的配对邓恩检验来进行详细的算法比较。此外,还利用 Bootstrapping 计算置信区间 (CI),对算法性能进行稳健估计。该方法包括数据收集、预处理、模型训练和性能评估。结果表明,所提出的方法能准确可靠地预测股票趋势。这项研究通过引入一种既能提高预测准确性,又能为投资者和金融专业人士提供见解的策略,为完善股市预测方法做出了贡献。此外,对不同指标和公司的算法性能进行评估,凸显了机器学习方法在该领域的多功能性和有效性。
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引用次数: 0
Analysis of support vector machine and random forest models for predicting the scalability of a broadband network 预测宽带网络可扩展性的支持向量机和随机森林模型分析
Pub Date : 2024-07-27 DOI: 10.46481/jnsps.2024.2093
Gabriel James, Ekong Anietie, Etimbuk Abraham, Enobong Oduobuk, Peace Okafor
This study proposed a machine learning approach to predict the scalability of broadband networks, which is crucial for ensuring fast and reliable internet connectivity. Scalability measures a network’s ability to handle increasing users, devices, and data traffic without compromising performance. The researchers leveraged the strengths of Random Forest (RF) and Support Vector Machine (SVM) algorithms to predict scalability. A large dataset of 40,000 data points was collected, focusing on six key metrics: Response Time, Bandwidth, Latency, Error Rate, Throughput, and Number of Users Connected. The data was preprocessed and divided into training and testing sets (80:20 ratio). Both RF and SVM algorithms were trained on the dataset, and a comparative analysis was conducted to determine which algorithm performed better. The results showed that the RF model outperformed the SVM model, achieving an accuracy of 95.0% compared to 91.0%. The RF model also exhibited higher precision, recall, and AUC scores. Feature importance analysis revealed that Response Time and Throughput were the most significant factors in determining network scalability. The study demonstrated the effectiveness of the RF model in predicting broadband network scalability, with a lower loss value (0.0133 for training and 0.0160 for validation) compared to the SVM model. This approach will help network operators and administrators predict and improve network scalability, ensuring reliable and fast internet connectivity. The study contributes to the development of machine learning-based solutions for broadband network performance evaluation and optimization.
本研究提出了一种机器学习方法来预测宽带网络的可扩展性,这对于确保快速可靠的互联网连接至关重要。可扩展性衡量的是网络在不影响性能的情况下处理不断增加的用户、设备和数据流量的能力。研究人员利用随机森林(RF)和支持向量机(SVM)算法的优势来预测可扩展性。研究人员收集了一个包含 40,000 个数据点的大型数据集,重点关注六个关键指标:响应时间、带宽、延迟、错误率、吞吐量和连接用户数。数据经过预处理,分为训练集和测试集(比例为 80:20)。在数据集上训练了 RF 算法和 SVM 算法,并进行了比较分析,以确定哪种算法性能更好。结果表明,RF 模型的准确率为 95.0%,高于 SVM 模型的 91.0%。RF 模型还表现出更高的精确度、召回率和 AUC 分数。特征重要性分析表明,响应时间和吞吐量是决定网络可扩展性的最重要因素。该研究证明了射频模型在预测宽带网络可扩展性方面的有效性,与 SVM 模型相比,射频模型的损失值更低(训练损失值为 0.0133,验证损失值为 0.0160)。这种方法将帮助网络运营商和管理员预测和提高网络可扩展性,确保可靠、快速的互联网连接。这项研究有助于开发基于机器学习的宽带网络性能评估和优化解决方案。
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引用次数: 0
Investigations on the structural, vibrational, optical and photocatalytic behavior of CuO, MnO and CuMnO nanomaterials 关于氧化铜、氧化锰和氧化铜纳米材料的结构、振动、光学和光催化行为的研究
Pub Date : 2024-07-27 DOI: 10.46481/jnsps.2024.2137
L. G. Prasad, R. Ravikumar, R. G. Raman, R. R. Kannad
CuO, MnO and CuMnO nanomaterials have been prepared using chemical precipitation method. Structure of the nanomaterials have been confirmed using XRD analysis. Metal oxide vibration have been identified and assigned to the vibrational band. Morophology of the prepared nanomaterials have been investigated in the SEM images. Optical band of the materials have been calculated using Tauc’s relation from the UV-Vis spectrum. Photocatalytic nature of the prepared nanomaterials has been studied against Congo red and Malachite green dyes.
采用化学沉淀法制备了氧化铜、氧化锰和氧化铜锰纳米材料。通过 XRD 分析确认了纳米材料的结构。金属氧化物振动已被确定并分配到振动带中。通过扫描电镜图像研究了所制备纳米材料的形貌。根据紫外可见光谱,利用陶氏关系计算出了材料的光带。研究了制备的纳米材料对刚果红和孔雀石绿染料的光催化性质。
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引用次数: 0
Health risk evaluation of radon progeny exposure in Nigerian traditional mud houses 尼日利亚传统泥房氡子体暴露的健康风险评估
Pub Date : 2024-07-21 DOI: 10.46481/jnsps.2024.2128
K. Aladeniyi
In a study of 56 randomly selected Traditional Mud Houses (TMHs) in Nigeria, the radiation health impacts of radon progeny were evaluated using CR-39 radon detectors within a rainy season. The measured radon concentration ranged from 17 to 174 Bq m-3, with an average value of 76 Bq m-3 (SD = 36). This was lower than the WHO’s recommended reference level of 100 Bq m-3. However, 24% of the surveyed houses exceeded this level, indicating potential health risks. The estimated Potential Alpha Energy Concentration (PAEC) due to its progeny ranged from 1.84 to 18.81 mWL with an average value of 8.24 mWL (SD=3.91). The computed annual effective doses yielded an average value of 3.06 ± 1.44 mSv y1, which is far less than the recommended reference level of 10 mSv y1 by the International Commission on Radiological Protection. The lifetime excess absolute risks varied from 0.4 × 104 to 3.9 × 104, with an average of 1.7 ± 0.8 × 104. Improved the ventilation systems, the application of cements plaster and distempers to the building walls and floor were recommended for older TMHs with ages greater than 50 y to mitigate radon exposure. This data can inform potential policy measures for indoor radon progeny control in Nigeria.
在一项对尼日利亚 56 所随机抽取的传统泥房(TMHs)进行的研究中,使用 CR-39 氡探测器在一个雨季内对氡子体的辐射健康影响进行了评估。测得的氡浓度范围为 17 至 174 Bq m-3,平均值为 76 Bq m-3(SD = 36)。这低于世界卫生组织建议的 100 Bq m-3 参考水平。不过,24% 的受访房屋超过了这一水平,表明存在潜在的健康风险。据估计,砒霜后代的潜在α能量浓度(PAEC)介于 1.84 至 18.81 mWL 之间,平均值为 8.24 mWL(SD=3.91)。计算得出的年有效剂量平均值为 3.06 ± 1.44 mSv y1,远低于国际辐射防护委员会建议的 10 mSv y1 参考水平。终生超额绝对风险从 0.4 × 104 到 3.9 × 104 不等,平均值为 1.7 ± 0.8 × 104。为减少氡气暴露,建议年龄超过50岁的老旧屯门屋改善通风系统,并在建筑物墙壁和地板上涂抹水泥灰浆和阻燃剂。这些数据可以为尼日利亚室内氡子体控制的潜在政策措施提供参考。
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引用次数: 0
Computational investigation and biological activity of selected Schiff bases 选定希夫碱的计算研究和生物活性
Pub Date : 2024-07-21 DOI: 10.46481/jnsps.2024.2103
S. Oladipo, Adesola A. Adeleke, A. A. Badeji, Katherine I. Babalola, A. H. Labulo, Ibrahim Hassan, Sadiq T. Yussuf, Samuel O. Olalekan
Two Schiff bases, (E)-N-(4-bromophenyl)-1-(2,6-dichlorophenyl)methanimine (S1) and (E)-4-(((4-bromophenyl)imino)methyl)phenol (S2) were synthesized and elucidated using basic spectroscopic methods such as Fourier-transform-infrared, Ultraviolet-visible as well as 1H & 13C-NMR while purity of the compounds was ascertained by the means of elemental analysis. The stability, chemical reactivities and electronic properties of S1 and S2 were evaluated using Density Functional Theory (DFT). Energy band gap (?E) of S1 and S2 are 2.81 eV and 3.02 eV respectively and this inferred that S1 is more reactive as well as less stable than S2. The Molecular electrostatic potential (MEP) mapping evaluation showed that both S1 and S2 are having more of the yellow, green and red region than the blue region, signifying that these structures are prone to electrophilic attack. The compounds were screened against one Gram-negative (Staphylococcus aureus) and two Gram-positive bacteria (Klebsiella pneumoniae and Psedomonas aeruginosa) to evaluate their antibacterial potential.  S1 as well as S2 showed antibacterial potential against Staphylococcus aureus and exhibited less of no activity against Klebsiella pneumoniae and Escherichia coli. In silico studies of S1 and S2 against Staphylococcus aureus was carried out and the outcomes corroborate with experimental findings. Pharmacological evaluation of S1 and S2 showed that both compounds exhibited less violation of Lipinski’s rule of five (Ro5) which pose them to be less toxic and orally available.
利用傅立叶变换红外光谱、紫外可见光谱以及 1H 和 13C-NMR 等基本光谱方法合成并阐明了 (E)-N-(4-bromophenyl)-1-(2,6-dichlorophenyl)methanimine (S1) 和 (E)-4-(((4-bromophenyl)imino)methyl)phenol (S2) 这两种希夫碱,并通过元素分析方法确定了化合物的纯度。利用密度泛函理论(DFT)对 S1 和 S2 的稳定性、化学反应活性和电子特性进行了评估。S1 和 S2 的能带隙(?E)分别为 2.81 eV 和 3.02 eV,这推断出 S1 比 S2 反应性更高,稳定性更低。分子静电位(MEP)绘图评估显示,S1 和 S2 的黄色、绿色和红色区域多于蓝色区域,这表明这些结构容易受到亲电攻击。化合物针对一种革兰氏阴性菌(金黄色葡萄球菌)和两种革兰氏阳性菌(肺炎克雷伯氏菌和铜绿假单胞菌)进行了筛选,以评估其抗菌潜力。 S1 和 S2 对金黄色葡萄球菌具有抗菌潜力,而对肺炎克雷伯氏菌和大肠杆菌的活性较低,甚至没有活性。对 S1 和 S2 对金黄色葡萄球菌的抗菌作用进行了硅学研究,结果与实验结果相吻合。对 S1 和 S2 进行的药理评估表明,这两种化合物较少违反利宾斯基五条规则(Ro5),因此毒性较低,可口服。
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引用次数: 0
Synthesis and in vitro bioactivity of sodium metasilicate-derived silicon-substituted hydroxyapatite 偏硅酸钠衍生硅代羟基磷灰石的合成与体外生物活性
Pub Date : 2024-07-14 DOI: 10.46481/jnsps.2024.2113
Enobong R. Essien, V. N. Atasie, Ngozi A. Adeleye, L. Adams
Structural alteration of synthetic implants aims to achieve better bioactivity, higher cellular response, and regulated degradability, all of which are critical criteria for a biomaterial to serve as a graft in bone regeneration. The aim of this work was to synthesize silicon-substituted hydroxyapatite and test its bioactivity in simulated body fluid (SBF) by proving the use of sodium metasilicate (Na2SiO3.9H2O) as an affordable precursor of silica. Thus, the study evaluated the in vitro bone-bonding capacity of hydroxyapatite (Ca10(PO4)6(OH)2) (HA) substituted with silicate ion (Ca10(PO4)6-x(SiO4)x(OH)2-x; SixHA). The SixHA with x = 0.4 was synthesized by utilizing a wet precipitation method with sodium metasilicate as a low-cost silica alternative for alkoxysilane precursors. The SixHA was then examined for properties such as morphology, elemental composition, phase composition, and the nature of chemical bonds using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), X-ray diffractometry (XRD), and Fourier transformed infrared spectroscopy (FTIR), respectively. An in vitro bioactivity experiment was also carried out by incubating the SixHA in simulated body fluid (SBF) at 36.5 °C for 7 and 14 days. The obtained results revealed the substitution of SiO44- for some PO43- groups in the hydroxyapatite structure. The SixHA nucleated more apatite crystals on its surface and demonstrated some degradability during the periods of immersion in SBF. The characteristics of the SixHA imply that it could be used as a graft in bone restoration applications, thus signifying that sodium metasilicate could serve as an economic silica source for silicon-substituted hydroxyapatite production. 
改变合成植入物的结构旨在获得更好的生物活性、更高的细胞反应和可调控的降解性,所有这些都是生物材料作为骨再生移植物的关键标准。这项工作的目的是合成硅代羟基磷灰石,并通过使用偏硅酸钠(Na2SiO3.9H2O)作为经济实惠的二氧化硅前体,测试其在模拟体液(SBF)中的生物活性。因此,该研究评估了被硅酸盐离子(Ca10(PO4)6-x(SiO4)x(OH)2-x;SixHA)取代的羟基磷灰石(Ca10(PO4)6(OH)2)(HA)的体外骨结合能力。x = 0.4 的 SixHA 是利用偏硅酸钠湿沉淀法合成的,偏硅酸钠是烷氧基硅烷前体的低成本二氧化硅替代品。然后,利用扫描电子显微镜(SEM)、能量色散 X 射线分析(EDX)、X 射线衍射仪(XRD)和傅立叶变换红外光谱(FTIR)分别检测了 SixHA 的形态、元素组成、相组成和化学键性质等特性。此外,还进行了体外生物活性实验,即在 36.5 °C 的模拟体液(SBF)中培养 SixHA 7 天和 14 天。实验结果表明,在羟基磷灰石结构中,SiO44- 取代了部分 PO43-基团。在 SBF 中浸泡期间,SixHA 在其表面形成了更多的磷灰石晶体,并表现出一定的降解性。SixHA 的特性意味着它可用作骨修复应用中的移植物,从而表明偏硅酸钠可作为硅取代羟基磷灰石生产的经济硅源。
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引用次数: 0
Analysis of support vector machine and random forest models for classification of the impact of technostress in covid and post-covid era 支持向量机和随机森林模型对科维德和后科维德时代技术压力影响的分类分析
Pub Date : 2024-07-14 DOI: 10.46481/jnsps.2024.2102
Gabriel James, Ime Jonah Umoren, Saviour Inyang, Oscar Aloysius
This study addresses the growing concern of technostress, a condition caused by the overwhelming use of digital technologies, exacerbated by the COVID-19 pandemic. The researchers developed a predictive model using machine learning algorithms, Random Forest (RF) and Support Vector Machine (SVM), to assess and manage technostress levels. The model considers factors such as age, gender, technology usage hours, and technological experiences to classify stress levels into high, moderate, and low categories. The study collected data through a questionnaire administered to knowledgeable respondents, using a non-probabilistic sampling approach. The results showed that both RF and SVM algorithms achieved high accuracy in classifying technostress, with SVM performing slightly better (94.5% vs 84.50%). The model’s effectiveness in predicting stress levels for users with varying degrees of stress is a significant contribution to the field. The research also developed an interactive user interface to facilitate user engagement with the model, promoting stress management and well-being in a technology-driven society. The study’s findings provide valuable insights into the challenges posed by technostress and offer a solution for mitigating its effects. The use of machine learning algorithms to classify gender based on the dataset demonstrates the model’s potential applications in various areas. Overall, this study demonstrates the importance of addressing technostress in the digital age and provides a valuable tool for managing stress levels. The development of predictive models like this one can help individuals and organizations mitigate the negative impacts of technostress, promoting a healthier and more sustainable relationship with technology.
这项研究针对的是人们日益关注的技术压力问题,即由于大量使用数字技术而导致的一种状况,而 COVID-19 的流行又加剧了这种状况。研究人员利用随机森林(RF)和支持向量机(SVM)等机器学习算法开发了一个预测模型,用于评估和管理技术压力水平。该模型考虑了年龄、性别、技术使用时间和技术经验等因素,将压力水平分为高、中、低三个等级。研究采用非概率抽样方法,通过对知识丰富的受访者进行问卷调查来收集数据。结果表明,RF 算法和 SVM 算法在技术压力分类方面都达到了较高的准确度,其中 SVM 的表现略胜一筹(94.5% 对 84.50%)。该模型能有效预测不同压力程度用户的压力水平,是对该领域的重大贡献。研究还开发了一个交互式用户界面,以方便用户使用该模型,从而在技术驱动的社会中促进压力管理和身心健康。研究结果为了解技术压力带来的挑战提供了宝贵的见解,并为减轻其影响提供了解决方案。根据数据集使用机器学习算法对性别进行分类,证明了该模型在各个领域的潜在应用价值。总之,这项研究证明了在数字时代解决技术压力问题的重要性,并为管理压力水平提供了一个有价值的工具。开发类似的预测模型可以帮助个人和组织减轻技术压力的负面影响,促进与技术建立更健康、更可持续的关系。
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引用次数: 0
Quantum chemical calculations of lupeol (C30H50O) isolated from the ethyl acetate leaf extracts of Justicia Secunda 醋酸乙酯叶提取物中分离出的羽扇豆醇(C30H50O)的量子化学计算
Pub Date : 2024-07-07 DOI: 10.46481/jnsps.2024.1995
B. Bako, E. Etim, J. P. Shinggu, S. S. Humphrey, L. J. Moses, M. E. Khan
The discovery of lupeol, a triterpenoid compound (C30H50O), in the ethyl acetate leaf extract of Justicia secunda (Blood root), has opened doors to extensive research and development opportunities in natural product-based pharmaceuticals. Lupeol’s versatile pharmacological properties, including anti-inflammatory, anticancer, antidiabetic, and antiviral effects, make it a compelling candidate for drug development. To fully harness its potential, a comprehensive understanding of lupeol’s structural and chemical attributes is crucial. Through quantum chemical calculations using the GAUSSIAN 09 suite of programs, we determined the optimized geometry, IR frequencies, bond distances (R), bond angles (A), dipole moments, HOMO-LUMO and other molecular parameters for this solitary molecule. The remarkable accuracy and reliability of computational techniques in predicting the properties of systems and reactants are evident in the consistently favorable results. A strong concordance and consistency between the experimental and computational outcomes further reinforces the credibility of our findings. This study offers a means to explore lupeol’s molecular behavior, providing insights that can guide future drug development efforts rooted in this promising natural compound.
血根(Justicia secunda)的乙酸乙酯叶提取物中发现了一种三萜类化合物(C30H50O)--羽扇豆醇(Lupeol),这为以天然产品为基础的药物研发提供了广阔的发展空间。羽扇豆醇具有多种药理特性,包括抗炎、抗癌、抗糖尿病和抗病毒作用,因此是药物开发的理想候选物质。要充分利用其潜力,全面了解羽扇豆醇的结构和化学属性至关重要。通过使用 GAUSSIAN 09 程序套件进行量子化学计算,我们确定了这种单分子的优化几何形状、红外频率、键距 (R)、键角 (A)、偶极矩、HOMO-LUMO 和其他分子参数。计算技术在预测体系和反应物性质方面的卓越准确性和可靠性从其一贯的良好结果中可见一斑。实验结果和计算结果之间的高度一致性和连贯性进一步增强了我们研究结果的可信度。这项研究为探索羽扇豆醇的分子行为提供了一种方法,它所提供的洞察力可以指导未来以这种前景广阔的天然化合物为基础的药物开发工作。
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引用次数: 0
期刊
Journal of the Nigerian Society of Physical Sciences
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