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Fractional Laplace transform for matrix valued functions with applications 矩阵值函数的分数阶拉普拉斯变换及其应用
Q1 Mathematics Pub Date : 2022-09-26 DOI: 10.1080/25765299.2022.2127458
Ahmed Bouchenak, M. Al Horani, J. A. Younis, R. Khalil, Mohamed A. Abd El salam
Abstract We extend several fractional Laplace transform results to matrix-valued functions in this paper, which we will utilize to obtain some useful and valuable theorems, like results on the set of the piecewise continuous functions with conformable exponential order and the low and conditions to obtain the fractional Laplace transform of matrix-valued functions. As an application, we apply the obtained theorems to solve certain fractional initial value problems for vector-valued and matrix-valued functions and the solution will be victor or matrix and it will exact. Also, we establish a fractional system transfer matrix and the conformable fractional Laplace transform of the conformable exponential matrix function, which will give us directly the exact solution for a precisely type of fractional initial value problems.
摘要本文将几个分数阶拉普拉斯变换的结果推广到矩阵值函数中,我们将利用这些结果来获得一些有用和有价值的定理,如关于指数阶和低阶的分段连续函数集的结果以及获得矩阵值函数的分数阶拉普拉斯转换的条件。作为一个应用,我们将所得到的定理应用于求解向量值函数和矩阵值函数的某些分式初值问题,其解将是胜利者或矩阵,并且它将是精确的。此外,我们建立了分数系统传递矩阵和保形指数矩阵函数的保形分数拉普拉斯变换,这将直接给出一类精确的分数初值问题的精确解。
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引用次数: 1
Discovery of inhibitors against SARS-CoV-2 associated fungal coinfections via virtual screening, ADMET evaluation, PASS, molecular docking, dynamics and pharmacophore studies 通过虚拟筛选、ADMET评估、PASS、分子对接、动力学和药效团研究发现抗严重急性呼吸系统综合征冠状病毒2型相关真菌合并感染的抑制剂
Q1 Mathematics Pub Date : 2022-09-26 DOI: 10.1080/25765299.2022.2126588
Talia Serseg, K. Benarous, Menaouar Serseg, H. M. Rehman, Y. El Bakri, S. Goumri‐Said
Abstract The black fungus is a SARS-CoV-2-associated fungal co-infection. Mechanisms by which antifungal drugs act against Mucormycosis are by inhibition of enzymes implicated in ergosterol biosynthesis or cell wall formation or the drug interaction directly with ergosterol. Since it has been shown that the reduction of ergosterol biosynthesis prevents this infection, we carried out a virtual screening with molecular docking analysis and tested a dataset of 880 molecules for its effects on an enzyme involved in ergosterol biosynthesis (CYP51) and fungal infection (lipase), as well as ADMET and toxicity properties of the studied molecules. We calculated the stability of the complex’s inhibitor-enzyme throughout the time using molecular dynamics simulations. From this, initial screening indicated that 600 out of a total of 880 compounds have a good affinity towards sterol 14α-demethylase. The two compounds ZINC95486139 and ZINC33833639 were determined as safe and have good drug-likeness properties, and have binding energies of −75.07 and −83.89 kcal/mol, respectively by MMGBSA and create strong and stable interactions with the residues of the active site of the enzyme. To the best of our knowledge, ZINC95486139 and ZINC33833639 have not yet been described in the literature as anti-sterol 14α-demethylase inhibitors or evaluated for their anti-fungal activity.
摘要黑木耳是一种与sars - cov -2相关的真菌共感染。抗真菌药物作用于毛霉病的机制是通过抑制麦角甾醇生物合成或细胞壁形成的酶或与麦角甾醇直接相互作用的药物。由于已经证明减少麦角甾醇的生物合成可以预防这种感染,我们通过分子对接分析进行了虚拟筛选,并测试了880个分子的数据集,以了解其对参与麦角甾醇生物合成(CYP51)和真菌感染(脂肪酶)的酶的影响,以及所研究分子的ADMET和毒性特性。我们通过分子动力学模拟计算了复合物抑制剂酶在整个时间内的稳定性。初步筛选结果表明,880个化合物中有600个对甾醇14α-去甲基化酶具有较好的亲和力。MMGBSA法测定ZINC95486139和ZINC33833639与酶活性位点残基的相互作用稳定且安全,具有良好的药物相似性,结合能分别为- 75.07和- 83.89 kcal/mol。据我们所知,ZINC95486139和ZINC33833639尚未在文献中被描述为抗甾醇14α-去甲基化酶抑制剂或评估其抗真菌活性。
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引用次数: 3
Closed-form solutions of dynamic vibration equations of seismically excited structures 地震激励结构动力振动方程的闭式解
Q1 Mathematics Pub Date : 2022-09-24 DOI: 10.1080/25765299.2022.2124754
Ayman Abd-Elhamed, M. Fathy, K. M. Abdelgaber
Abstract Novel closed-form solutions of the dynamic vibration equations of seismically excited structures are derived by using the Laplace transform. Structures with single-degree-of-freedom (SDOF) and multi-degree-of-freedom (MDOF) are considered and modelled as lumped mass systems. Several earthquake records with different peak ground accelerations (PGAs) are used to excite such systems. To be compared, time-history responses are obtained numerically by using Newmark’s step-by-step iteration method and analytically by the proposed approach. After conducting such comparisons, the proposed approach successfully computes the exact responses of seismically excited structures.
摘要利用拉普拉斯变换导出了地震激励结构动力振动方程的新的闭合形式解。将具有单自由度(SDOF)和多自由度(MDOF)的结构考虑并建模为集中质量系统。几个具有不同峰值地面加速度(PGA)的地震记录被用来激励这样的系统。为了进行比较,使用Newmark的逐步迭代方法对时程响应进行了数值计算,并使用所提出的方法进行了分析。在进行了这些比较之后,所提出的方法成功地计算了地震激励结构的精确响应。
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引用次数: 1
Investigation of time-fractional mathematical model of COVID-19 with nonsingular kernel 具有非奇异核的COVID-19时间分数数学模型研究
Q1 Mathematics Pub Date : 2022-09-14 DOI: 10.1080/25765299.2022.2119685
A. Adnan, Amir Ali
Abstract In this article, a mathematical model of COVID-19 is investigated using the Atangana–Baleanu in sense of Caputo fractional operator. Mathematical analysis and modeling has led the results (allow policymakers to understand and predicts the dynamics of infectious disease under several different scenarios) about various nonpharmaceutical involvements to restrict the spread of pandemic disease worldwide. The present investigation meant to study worldwide research activity on mathematical modeling of spread and control of several infectious diseases with a known history of serious outbreaks. The existence of a unique solution is studied using a fixed point theorems. The stability of the solution is carried out through the concept of Ulam–Hyers stability. The considered model is computationally analyzed through the Adams–Bashforth technique. A fresh investigation with the proposed epidemic model is brought and the obtain results are define using plots which shows the performance of the classes of the consider model. The results show that the proposed scheme is very insistent and obvious to operate for the system of nonlinear equations. One can see a quick stability of all the compartments as the order decrease to noninteger values as compared to integer-order θ = 1. All theoretical results are simulated and validated through numerical simulations.
摘要本文利用Caputo分数算子意义上的Atangana-Baleanu对COVID-19的数学模型进行了研究。数学分析和建模的结果(使决策者能够理解和预测几种不同情况下传染病的动态)涉及各种非药物参与,以限制流行病在世界范围内的传播。本调查旨在研究世界范围内关于几种已知有严重暴发历史的传染病传播和控制的数学模型的研究活动。利用不动点定理研究了问题唯一解的存在性。溶液的稳定性是通过乌兰-海斯稳定性的概念来实现的。通过Adams-Bashforth技术对所考虑的模型进行了计算分析。对所提出的流行病模型进行了新的研究,并使用图来定义所得到的结果,以显示考虑模型的类的性能。结果表明,所提出的格式对于非线性方程组具有很强的持久性和明显的可操作性。与整阶θ = 1相比,当阶数降低到非整数值时,可以看到所有隔室的快速稳定性。通过数值模拟对理论结果进行了模拟和验证。
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引用次数: 0
Linear and quadratic multiple regressions analysis on magneto-thermal and chemical reactions on the Casson-Williamson nanofluids boundary layer flow under Soret-Dufour mechanism Soret-Dufour机制下Casson-Williamson纳米流体边界层流动磁热和化学反应的线性和二次多元回归分析
Q1 Mathematics Pub Date : 2022-08-30 DOI: 10.1080/25765299.2022.2115688
B. Falodun, E. O. Ige
Abstract The focus of this paper is to conduct research on MHD Casson-Williamson nanofluids flow over an inclined plate with the influence of thermal radiation and Soret-Dufour mechanisms using spectral collocation and statistical analysis. The simultaneous flow of Casson-Williamson non-Newtonian fluids in the presence of a magnetic field, Joule heating, chemical reaction, and viscous dissipation is modelled by utilizing partial differential equations (PDEs). These equations were transformed into coupled nonlinear ordinary differential equations by using an appropriate similarity variable. A numerical and statistical analysis was performed on the transformed equations to obtain significant effects of flow parameters on velocity, temperature, and concentration distributions. An increase in the value of the thermal radiation is observed to increase the fluid temperature, thermal condition, and thermal boundary layer thickness. An increased value of magnetic parameter was observed to decrease the fluid velocity. Due to a magnetic field and the dynamic plastic viscosity, the hydrodynamic boundary layer was observed to decline due to an increase in Casson parameter. The present study was compared with studies in the literature and found in good agreement.
摘要本文的重点是利用光谱配置和统计分析方法,研究在热辐射和Soret Dufour机制的影响下,MHD Casson Williamson纳米流体在倾斜板上的流动。利用偏微分方程(PDE)对磁场、焦耳加热、化学反应和粘性耗散条件下Casson Williamson非牛顿流体的同时流动进行了建模。通过使用适当的相似变量将这些方程转化为耦合的非线性常微分方程。对转换后的方程进行了数值和统计分析,以获得流动参数对速度、温度和浓度分布的显著影响。观察到热辐射值的增加以增加流体温度、热条件和热边界层厚度。观察到磁性参数值的增加会降低流体速度。由于磁场和动态塑性粘度,观察到流体动力学边界层由于Casson参数的增加而下降。本研究与文献中的研究进行了比较,结果一致。
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引用次数: 3
A review on the chemistry and pharmacological properties of benzodiazepine motifs in drug design 药物设计中苯二氮卓基序的化学和药理学性质综述
Q1 Mathematics Pub Date : 2022-08-30 DOI: 10.1080/25765299.2022.2117677
Olayinka O. Tolu-Bolaji, S. Sojinu, Adebola P. Okedere, O. Ajani
Abstract Benzodiazepines are an important class of heterocyclic compounds in organic chemistry. They are known for their diverse physicochemical and biological properties. Some benzodiazepine derivates are well-known drugs with diverse and strong pharmacophoric moiety. An immense number of pharmacological research on benzodiazepine heterocycles and their derivatives have recently been conducted to explore its numerous pharmacological potentials as better therapeutic candidates for the treatment of various disorders, benzodiazepines, however, are one of the main sources of interest for many medicinal chemists. Researchers are drawn to the benzodiazepine nucleus for the synthesis of new drugs because of its potent pharmacophoric moiety and ring shape. Due to the emergence of new pathogenic strains’ resistance to the presently available drugs, there has been a constant demand for more effective and selective drugs. Benzodiazepine moiety has all the desired qualities for selective drug candidates used as useful therapeutic agents. Given the importance of benzodiazepine moiety, the current review aims to assess benzodiazepine syntheses as well as their pharmacological properties for potential molecular targets in therapeutic development.
摘要苯二氮卓类化合物是有机化学中一类重要的杂环化合物。它们以其多样的物理化学和生物特性而闻名。一些苯二氮卓类衍生物是众所周知的药物,具有多样而强的药效部分。最近对苯二氮杂环及其衍生物进行了大量的药理学研究,以探索其作为治疗各种疾病的更好候选药物的众多药理学潜力,然而,苯二氮卓类药物是许多药物化学家感兴趣的主要来源之一。研究人员被吸引到苯二氮卓核的新药物的合成,因为其有效的药效部分和环的形状。由于新的致病菌株对现有药物的耐药性的出现,对更有效和更有选择性的药物的需求不断增加。苯二氮卓部分具有作为有用治疗剂的选择性候选药物所需的所有品质。鉴于苯二氮卓基团的重要性,本综述旨在评估苯二氮卓的合成及其在治疗开发中的潜在分子靶点的药理学特性。
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引用次数: 10
Closed-form formula for a classical system of matrix equations 经典矩阵方程组的封闭公式
Q1 Mathematics Pub Date : 2022-08-25 DOI: 10.1080/25765299.2022.2113497
A. Rehman, Ivan Kyrchei, Israr Ali Khan, Muhammad Nasir, Imran Ali
Abstract Keeping in view the latest development of anti-Hermitian matrix in mind, we construct some closed form formula for a classical system of matrix equations having anti-Hermitian nature in this paper. We give the necessary and sufficient conditions for the existence of its solution by applying the properties of matrix rank. The general solution to this system is expressed by closed formula based on generalized inverses of given matrices. The novelty of the proposed results is not only obtaining a formal representation of the solution in terms of generalized inverses but the construction of an algorithm to find its explicit expression as well. To conduct an algorithm and numerical example, it is used the determinantal representations of the Moore Penrose inverse previously obtained by one of the authors.
摘要考虑到反厄米矩阵的最新发展,本文构造了具有反厄米性质的经典矩阵方程组的一些封闭形式公式。利用矩阵秩的性质,给出了其解存在的充分必要条件。该系统的通解由基于给定矩阵的广义逆的封闭公式表示。所提结果的新颖之处不仅在于得到了解的广义逆的形式化表示,而且还构造了一种求其显式表达式的算法。为了进行算法和数值算例,使用了作者先前得到的摩尔彭罗斯逆的行列式表示。
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引用次数: 1
Extension of lower and upper solutions approach for generalized nonlinear fractional boundary value problems 广义非线性分式边值问题上下解方法的推广
Q1 Mathematics Pub Date : 2022-08-23 DOI: 10.1080/25765299.2022.2112646
Asmat Batool, Imran Talib, M. Riaz, C. Tunç
Abstract Our main concern in this study is to present the generalized results to investigate the existence of solutions to nonlinear fractional boundary value problems (FBVPs) with generalized nonlinear boundary conditions. The framework of the presented results relies on the lower and upper solutions approach which allows us to ensure the existence of solutions in a sector defined by well-ordered coupled lower and upper solutions. It is worth mentioning that the presented results unify the existence criteria of certain problems which were treated on a case-by-case basis in the literature. Two examples are supplied to support the results.
摘要本文主要研究了一类具有广义非线性边界条件的非线性分数阶边值问题解的存在性。所提出的结果的框架依赖于上下解方法,这使我们能够确保在由良序耦合上下解定义的扇区中存在解。值得一提的是,所提出的结果统一了某些问题的存在标准,而这些问题在文献中是逐案处理的。提供了两个示例来支持结果。
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引用次数: 4
ANN-based methods for solving partial differential equations: a survey 基于人工神经网络的偏微分方程求解方法综述
Q1 Mathematics Pub Date : 2022-08-13 DOI: 10.1080/25765299.2022.2104224
D. A. Pratama, Maharani A. Bakar, N. B. Ismail, Mashuri M
Abstract Traditionally, partial differential equation (PDE) problems are solved numerically through a discretization process. Iterative methods are then used to determine the algebraic system generated by this process. Recently, scientists have emerged artificial neural networks (ANNs), which solve PDE problems without a discretization process. Therefore, in view of the interest in developing ANN in solving PDEs, scientists investigated the variations of ANN which perform better than the classical discretization approaches. In this study, we discussed three methods for solving PDEs effectively, namely Pydens, NeuroDiffEq and Nangs methods. Pydens is the modified Deep Galerkin method (DGM) on the part of the approximate functions of PDEs. Then, NeuroDiffEq is the ANN model based on the trial analytical solution (TAS). Lastly, Nangs is the ANN-based method which uses the grid points for the training data. We compared the numerical results by solving the PDEs in terms of the accuracy and efficiency of the three methods. The results showed that NeuroDiffeq and Nangs have better performance in solving high-dimensional PDEs than the Pydens, while Pydens is only suitable for low-dimensional problems.
摘要传统上,偏微分方程(PDE)问题是通过离散化过程进行数值求解的。然后使用迭代方法来确定由该过程生成的代数系统。最近,科学家们出现了人工神经网络(Ann),它可以在没有离散化过程的情况下解决PDE问题。因此,鉴于在求解偏微分方程中开发人工神经网络的兴趣,科学家们研究了比经典离散化方法表现更好的人工神经网络变体。在本研究中,我们讨论了三种有效解决偏微分方程的方法,即Pydens方法、NeuroDiffEq方法和Nangs方法。Pydens是对偏微分方程近似函数部分的改进的Deep-Galerkin方法(DGM)。然后,NeuroDiffEq是基于试验分析解(TAS)的ANN模型。最后,Nangs是一种基于神经网络的方法,它使用网格点作为训练数据。我们从精度和效率的角度比较了求解偏微分方程的数值结果。结果表明,NeuroDiffeq和Nangs在求解高维偏微分方程方面比Pydens具有更好的性能,而Pydens仅适用于低维问题。
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引用次数: 2
On Maxwell–Lomax distribution: properties and applications 关于Maxwell-Lomax分布:性质和应用
Q1 Mathematics Pub Date : 2022-07-12 DOI: 10.1080/25765299.2022.2093033
A. A. Abiodun, A. I. Ishaq
Abstract The development of new generalizations based on certain baseline probability distribution has become one of the current trends in distribution theory literature. New generators are often required to define wider distributions for modelling real life data. In this study, we proposed and studied a new generalization of Maxwell and Lomax distributions using the T-X method. Several structural and statistical properties of the proposed distribution were obtained such as moments, quantile function, survival and hazard functions, skewness, kurtosis and order statistics. The method of maximum likelihood estimation (MLE) was used to estimate the parameters of the proposed distribution. In addition, a simulation study was conducted to evaluate the performance of the MLE method. The proposed distribution was applied to two real life datasets to illustrate its flexibility. It was found that the proposed distribution was superior to offer a better fit than the other competing extensions of Lomax distributions considered in the study.
摘要基于某一基线概率分布的新概化的发展已成为分布理论文献的当前趋势之一。通常需要新的生成器来定义更广泛的分布,以便对真实生活数据进行建模。在这项研究中,我们使用T-X方法提出并研究了Maxwell和Lomax分布的一个新的推广。获得了所提出分布的几个结构和统计性质,如矩、分位数函数、生存和危险函数、偏度、峰度和阶统计量。使用最大似然估计(MLE)方法来估计所提出的分布的参数。此外,还进行了模拟研究,以评估MLE方法的性能。将所提出的分布应用于两个真实生活数据集,以说明其灵活性。研究发现,所提出的分布比研究中考虑的Lomax分布的其他竞争扩展更适合。
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引用次数: 4
期刊
Arab Journal of Basic and Applied Sciences
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