Analytical surfaces for ship hulls by Sergey N. Krivoshapko, Vyacheslav N. Ivanov

“…All algebraic equations were converted to parametrical form for comfort of computer modelling. With their help, all nine ship surfaces proposed for the introduction were visualized. …”
Get full text

Optimization of an Impact-Based Frequency Up-Converted Piezoelectric Vibration Energy Harvester for Wearable Devices by Pietro Aceti, Michele Rosso, Raffaele Ardito, Nicola Pienazza, Alessandro Nastro, Marco Baù, Marco Ferrari, Markku Rouvala, Vittorio Ferrari, Alberto Corigliano

“…A mesoscale prototype with a bimorph transducer is fabricated and tested to validate the computational models. The comparison shows a good agreement between numerical models and the experiments. …”
Get full text

Computational analysis of protein synthesis, diffusion, and binding in compartmental biochips by Stefanie Förste, Ohad Vonshak, Shirley S. Daube, Roy H. Bar-Ziv, Reinhard Lipowsky, Sophia Rudorf

“…We show by mathematical and computational modeling how a finite trap density determines the dynamics of protein-trap binding and identify three distinct regimes of the trap-binding efficiency. …”
Get full text

Fluorescently Labeled PLGA Nanoparticles for Visualization In Vitro and In Vivo: The Importance of Dye Properties by Vasilisa Zhukova, Nadezhda Osipova, Aleksey Semyonkin, Julia Malinovskaya, Pavel Melnikov, Marat Valikhov, Yuri Porozov, Yaroslav Solovev, Pavel Kuliaev, Enqi Zhang, Bernhard A. Sabel, Vladimir Chekhonin, Maxim Abakumov, Alexander Majouga, Jörg Kreuter, Petra Henrich-Noack, Svetlana Gelperina, Olga Maksimenko

“…The DiI label was stable in both aqueous and lipophilic environments, whereas the quick release of coumarin 6 was observed in model media containing albumin (42%) or liposomes (62%), which could be explained by the different affinity of these dyes to the polymer and lipophilic structures and which we also confirmed by computational modeling (log PDPPC/PLGA: DiI—2.3, Cou6—0.7). …”
Get full text

Structuring the local handedness of synthetic chiral light: global chirality versus polarization of chirality by Laura Rego, David Ayuso

“…Using state-of-the-art computational modeling, we show how these local and global properties are imprinted in the enantio-sensitive response of chiral molecules, creating exciting opportunities for ultrafast, all-optical and highly efficient imaging of molecular chirality.…”
Get full text

Deformation of Stacked Metallic Sheets by Shock Wave Loading by Sandeep P. Patil, Rahul Murkute, Nima Shirafkan, Bernd Markert

“…Finite elements method (FEM) simulations on 3D-computational models were performed with explicit dynamic analysis, and Johnson-Cook material model was used. …”
Get full text

OrcaFlex Modelling of a Multi-Body Floating Solar Island Subjected to Waves by Maria Ikhennicheu, Arthur Blanc, Benoat Danglade, Jean-Christophe Gilloteaux

“…As the industry matures, floating solar farms are considered in more challenging environments, where the presence of waves must be accounted for in mismatch studies and fatigue and mechanical considerations regarding electrical cables and mooring lines. Computational modelling of floating solar islands is now a critical step. …”
Get full text

A novel fold for acyltransferase-3 (AT3) proteins provides a framework for transmembrane acyl-group transfer by Kahlan E Newman, Sarah N Tindall, Sophie L Mader, Syma Khalid, Gavin H Thomas, Marjan W Van Der Woude

“…In this study, evolutionary co-variance analysis was used to build a computational model of the structure of a bacterial O-antigen modifying acetyltransferase, OafB. …”
Get full text

Performing Arithmetic Operations with Locally Homogeneous Spiking Neural P Systems by Xu Zhang, Zongrong Hu, Jingyi Li, Ran Liu

“…The parallelism of rule execution in membrane computing provides support for improving computational efficiency. Membrane computing models have been applied in many fields. In arithmetic operations, designing basic arithmetic operation spiking neural P systems using fewer neurons and rule types has been an important field of membrane computing application research in recent years. …”
Get full text

The dorsomedial prefrontal cortex represents subjective value across effort-based and risky decision-making by Yuan-Wei Yao, Kun-Ru Song, Nicolas W. Schuck, Xin Li, Xiao-Yi Fang, Jin-Tao Zhang, Hauke R. Heekeren, Rasmus Bruckner

“…Therefore, we comprehensively compared effort-based and risky decision-making using a combination of computational modeling, univariate and multivariate fMRI analyses, and data from two independent studies. …”
Get full text

Inactivation Rates for Airborne Human Coronavirus by Low Doses of 222 nm Far-UVC Radiation by David Welch, Manuela Buonanno, Andrew G. Buchan, Liang Yang, Kirk D. Atkinson, Igor Shuryak, David J. Brenner

“…The current study extends the results to a wider range of doses of 222 nm far-UVC radiation and uses a computational model coupling radiation transport and computational fluid dynamics to improve dosimetry estimates. …”
Get full text

On the Reliability Assessment of Artificial Neural Networks Running on AI-Oriented MPSoCs by Annachiara Ruospo, Ernesto Sanchez

“…Frequently, they are considered intrinsically robust and fault tolerant for being brain-inspired and redundant computing models. However, when ANNs are deployed on resource-constrained hardware devices, single physical faults may compromise the activity of multiple neurons. …”
Get full text

Analysis of the Overpressure Fields in a Shock Tube with Multi-Point Initiation by Zhuo Chen, Huiqi Ren, Qiang Zhao, Songbai Zhou, Zhilin Long, Wei Liu

“…The numerical results match well with the experimental data, which indicates that the computational model and method used can accurately simulate the blast flow field in a shock tube. …”
Get full text

A review of small angle scattering, neutron reflection, and neutron diffraction techniques for microstructural characterization of polymer-bonded explosives by Liang-fei Bai, Xin-xi Li, Hao Li, Guang-ai Sun, Dong Liu, Zhan-yu wu, Mei Peng, Zhi-chao Zhu, Chao-qiang Huang, Fei-yan Gong, Shi-chun Li

“…More efforts should be made to (1) gather the comprehensive multi-scale microstructural parameters for certain PBXs and add them to corresponding characteristic databases; (2) further investigate the dependence of the microstructural features on the preparation conditions of PBXs; (3) establish multi-factor correlations between the multi-scale microstructural features and the multiple performances obtained from experiments; (4) incorporate the microstructural parameters into various theoretical computational models.…”
Get full text

In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on <i>Cucumis sativus</i> Radicles by Omar Aristeo Peña-Morán, Jesús Jiménez-Pérez, Litzia Cerón-Romero, Maribel Rodríguez-Aguilar

“…Colchicine was docked on seven <i>Cucumis sativus</i> computational models of the αβ-tubulin heterodimer, allowing us to understand a possible conformation in tubulin to trigger its antimitotic effect. …”
Get full text

Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides by Rodrigo A. Moreira, Stefan A. L. Weber, Adolfo B. Poma

“…We expect to provide a computational model suitable for several new applications such as cellulose self-assembly in different aqueous solutions and the thermal treatment of fibrils of great importance in bioindustrial applications.…”
Get full text

Identification of Potential Inhibitors for the Treatment of Alkaptonuria Using an Integrated In Silico Computational Strategy by Sumera Zaib, Nehal Rana, Nadia Hussain, Hanan A. Ogaly, Ayed A. Dera, Imtiaz Khan

“…To achieve our goal, we have performed computational modelling using BioSolveIT suit. The library of ligands for molecular docking was acquired by fragment replacement of reference molecules by ReCore. …”
Get full text

Numerical and Experimental Analysis of Strength Loss of 1.2709 Maraging Steel Produced by Selective Laser Melting (SLM) under Thermo-Mechanical Fatigue Conditions by Jarosław Piekło, Aldona Garbacz-Klempka, Dawid Myszka, Krzysztof Figurski

“…This paper presents a numerical model that is used to predict the fatigue life of a material that is loaded with a time-varying temperature field according to the classic and modified Coffin test. Using a computational model, the temperature changes in the resistance-heated specimen and the stress and strain fields that are caused by this phenomenon were determined. …”
Get full text

Night work, season and alertness as occupational safety hazards in the Arctic: protocol for the Noralert observational crossover study among Norwegian process operators by Kristian Bernhard Nilsen, Dagfinn Matre, Mikael Sallinen, Andrew J K Phillips, Line Victoria Moen, Fred Haugen

“…The study aims to quantify the contribution of (1) several consecutive night shifts, (2) seasonal variation on sleepiness, alertness and circadian rhythm and (3) whether a computational model of sleep, circadian rhythms and cognitive performance can accurately predict the observed sleepiness and alertness.Methods and analysis In an observational crossover study of outdoor and indoor workers (n=120) on a three-shift schedule from an industrial plant in Norway (70 °N), measurements will be conducted during the summer and winter. …”
Get full text

A multispecies framework for modeling adaptive immunity and immunotherapy in cancer. by Timothy Qi, Benjamin G Vincent, Yanguang Cao

“…Importantly, while tumor and T-cell populations are known to compete with each other for intratumoral resources, whether between-lineage competition among peripheral T cells influences the TCR repertoire is unknown and difficult to interrogate experimentally. Computational models may offer a way to investigate these phenomena and deepen our understanding of the tumor-immune axis. …”
Get full text