1,044 Results Found

Molecular dynamics (MD) simulations have become increasingly useful in the modern drug development process. In this review, we give a broad overview of the current application possibilities of MD in drug discovery and pharmaceutical development. Star...

The goal of this study was to construct a mathematical and computational model that accurately represents the complex, flexible movements and mechanics of an elephant’s trunk. Rather than serving as a biological study, the elephant trunk model...

Pharmaceutical cocrystals offer a versatile approach to enhancing the properties of drug compounds, making them an important tool in drug formulation and development by improving the therapeutic performance and patient experience of pharmaceutical pr...

This study was aimed at formulating a bioabsorbable, controlled-release, nanoemulgel of Quercetin, a potent antimicrobial and anti-inflammatory agent for the treatment of periodontitis that could improve its solubility and bioavailability. Screening...

The formulation of solid oral dosage forms significantly determines the release rate of active pharmaceutical ingredients (APIs). [...]

Conventionally, designing rigid polyurethane foams (RPUFs) with improved physico-mechanical properties from new, bio-based polyols is performed by modifying foam formulations via experimentation. However, experimental endeavors are very resource-depe...

In this work, a simple, easy to use MATLAB code is presented for the optimal design of materials for 3D domains. For the optimal design of materials, the theoretical framework of topology optimization and that of homogenization were utilized to devel...

In this paper, in order to reduce the energy consumption and time of data transmission, the non-orthogonal multiple access (NOMA) and mobile edge caching technologies are jointly considered in mobile edge computing (MEC) networks. As for the cache-as...

Modern fighter aircraft have an increasing need for at least a moderate level of stealth, and the shape design must bear a part of this constraint. However, the high frequency of close range radar makes high-fidelity radar cross-section computation m...

The systematic design of exact optimal designs of experiments is typically challenging, as it results in nonconvex optimization problems. The literature on the computation of model-based exact optimal designs of experiments via mathematical programmi...

This paper introduces a novel hybrid metaheuristic optimization algorithm, combining improved formulations of the Slime Mould Algorithm (SMA) and the Jaya Algorithm (JA) (HSMJA) with online distributed computing (ODC), referred to as HSMJA-ODC. While...

Static aeroelastic deformations are nowadays considered as early as in the preliminary aircraft design stage, where low-fidelity linear aerodynamic modeling is favored because of its low computational cost. However, transonic flows are essentially no...

In this work, alternative product formulations are represented as a bipartite graph, and mixed-integer programming is used to find a graph partitioning that identifies the most dissimilar formulations within a potentially large design space. This inv...

Amorphous solid dispersions (ASDs) represent a promising formulation strategy for improving the solubility and bioavailability of poorly water-soluble drugs, a major challenge in pharmaceutical development. This review provides a comprehensive analys...

Sensors are devices that measures a change in physical stimulus by converting it into an electronic signal which can be read by a designated instrument. To overcome the real-life challenges associated with powering a sensor using conventional batteri...

Physics-informed neural network (PINN) architectures are recent developments that can act as surrogate models for fluid dynamics in order to reduce computational costs. PINNs make use of deep neural networks, where the Navier-Stokes equation and free...

The paper presents the use of a supervised active learning approach for the solution of a simulation-driven design optimization (SDDO) problem, pertaining to the resistance reduction of a destroyer-type vessel in calm water. The optimization is formu...

Thus far, various phenomenon-mimicking algorithms, such as genetic algorithm, simulated annealing, tabu search, shuffled frog-leaping, ant colony optimization, harmony search, cross entropy, scatter search, and honey-bee mating, have been proposed to...

The article surveys and extends variational formulations of the thermodynamic free energy and discusses their information-theoretic content from the perspective of mathematical statistics. We revisit the well-known Jarzynski equality for nonequilibri...

Therapeutic antibody technology heavily dominates the biologics market and continues to present as a significant industrial interest in developing novel and improved antibody treatment strategies. Many noteworthy advancements in the last decades have...

An extended form of robust continuous-time linear programming problem with time-dependent matrices is formulated in this paper. This complicated problem is studied theoretically in this paper. We also design a computational procedure to solve this pr...

Accurate and efficient evaluation of the intersection area between two axis-aligned ellipses is essential in applications where the coordinate system or underlying geometry naturally imposes alignment. However, most existing numerical integration tec...

Heterogeneities of individual attributes and behaviors play an important role in the complex process of epidemic spreading. Compared to differential equation-based system dynamical models of infectious disease transmission, individual-based epidemic...

To increase manufacturing flexibility and system understanding in pharmaceutical development, the FDA launched the quality by design (QbD) initiative. Within QbD, the design space is the multidimensional region (of the input variables and process par...

The rational design of molecularly imprinted polymers has evolved along with state-of-the-art experimental imprinting strategies taking advantage of sophisticated computational tools. In silico methods enable the screening and simulation of innovativ...

This paper addresses the problem of estimating the state of a class of interval and positive nonlinear switched systems. The considered system class is represented by Metzler–Takagi–Sugeno fuzzy switched models with positive Lipschitz non...

Topology and shape optimization are still rarely applied to problems in electromagnetic design due to the computational complexity and limited commercial tooling, even though components such as electrical motors, magnetic springs or magnetic bearings...

The Finite Element Method (FEM) has emerged as a powerful tool for predicting the behavior of industrial products, including those with complex geometries or uncommon materials. Finite Element Analysis (FEA) is widely used to study structural vibrati...

Lipid and/or polymer-based drug conjugates can potentially minimize side effects by increasing drug accumulation at target sites and thus augment patient compliance. Formulation factors can present a potent influence on the characteristics of the obt...

In this paper, we describe the concept of generative design approach applied to the automated evolutionary learning of mathematical models in a computationally efficient way. To formalize the problems of models’ design and co-design, the genera...

Background: The Dynamic Modified Stochastic p-Median Problem (DMS-p-MP) is an important problem in supply chain network design, as it deals with the optimal location of facilities and the allocation of demand in a dynamic and uncertain environment. M...

In this work, a novel high-order formulation for multilayered piezoelectric plates based on the combination of variable-order interior penalty discontinuous Galerkin methods and general layer-wise plate theories is presented, implemented and tested....

In this paper, we formulate the active SLAM paradigm in terms of model-free Deep Reinforcement Learning, embedding the traditional utility functions based on the Theory of Optimal Experimental Design in rewards, and therefore relaxing the intensive c...

Computer simulations constitute the basis of the design and discovery of new drugs. This approach is not only significant with regards to finding new structures, but also for selecting the molecules with the highest probability of being useful in the...

Feed formulation is a typical multi-objective optimization problem that aims to minimize cost while satisfying multiple nutritional constraints. However, existing methods often suffer from limitations in handling nonlinear constraints, high-dimension...

Protein-based therapeutics are considered to be one of the most important classes of pharmaceuticals on the market. The growing need to prolong stability of high protein concentrations in liquid form has proven to be challenging. Therefore, significa...

In commercial non-adaptive active noise control (ANC) applications, an IIR filter structure is often used to reduce real-time computations. On the contrary, an FIR filter structure is usually preferred in the filter design phase because the FIR filte...

This paper presents a design synthesis method for robust controllers of active vehicle suspensions (AVSs). Various control techniques have been applied to the design of AVSs for enhancing ride comfort and handling performance of ground vehicles. Howe...

Cooperative perception is an important domain of autonomous driving that helps to improve road safety and traffic efficiency. Nevertheless, the large amount of sensed data and complicated algorithms make storage and computation for autonomous vehicle...

The relation of randomness and classical algorithmic computational complexity is a vast and deep subject by itself. However, already, 1-randomness sequences call for quantum mechanics in their realization. Thus, we propose to approach black hole&rsqu...

Multi-objective reliability-based design optimization (MORBDO) is an efficient tool for generating reliable Pareto-optimal (PO) solutions. However, generating such PO solutions requires many function evaluations for reliability analysis, thereby incr...

I formulate three basic biomedical/statistical assumptions that should ideally guide well-designed population prevalence studies of the present or past disease including COVID-19. On the basis of these assumptions alone, I compute several probability...

The discovery and development of new pharmaceutical drugs is a costly, time-consuming, and highly manual process, with significant challenges in ensuring drug bioavailability at target sites. Computational techniques are highly employed in drug desig...

The accuracy of cooperative localization can be severely degraded in non-line-of-sight (NLOS) environments. Although most existing approaches modify models to alleviate NLOS impact, computational speed does not satisfy practical applications. In this...

To obtain propellant formulations with superior comprehensive and robustness performance, the study establishes a multi-objective optimization model that accounts for uncertainties. The model adopts a bi-layer structure. The inner layer computes perf...

This paper presents the dynamic formulation of an artificial-muscle-driven and computed-muscle–force control for the planar locomotion of a snake robot. The snake robot uses a series of antagonistic pneumatic artificial muscles, assembled at th...

The electricity production opus in South Africa has transformed over the last few years from predominantly coal power generation to a blend of renewable energy generation. The necessity emerges to ascertain whether electrical transformer design philo...

The welded beam design problem represents a real-world engineering challenge in structural optimization. The objective is to determine the optimal dimensions of a steel beam and weld length to minimize cost while satisfying constraints related to she...

This paper investigates the optimal design of a hierarchical cloud-fog&edge computing (FEC) network, which consists of three tiers, i.e., the cloud tier, the fog&edge tier, and the device tier. The device in the device tier processes its task...

Mobile edge computing has been an important computing paradigm for providing delay-sensitive and computation-intensive services to mobile users. In this paper, we study the problem of the joint optimization of task assignment and energy management in...