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Corrigendum/Erratum to "Protein music of enhanced musicality by music style guided exploration of diverse amino acid properties" [Heliyon 7, Issue 9, SEPTEMBER 2021, Article e07933]

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Heliyon 2024年第13期10卷 e33412页

作者： Nicole WanNi Tay Fanxi Liu Wang Chaoxin Zhang Hui Zhang Peng Yu Zong Chen Raffles Institution 1 Raffles Institution Ln 575954 Singapore. Department of Computer Science Kansas State University Manhattan KS 66506 USA. School of Arts Minnan Normal University Zhangzhou 363000 China. Bioinformatics and Drug Design Group Department of Pharmacy and Center for Computational Science and Engineering National University of Singapore 117543 Singapore. Qian Xuesen Collaborative Research Center of Astrochemistry and Space Life Sciences Institute of Drug Discovery Technology Ningbo University Ningbo 315211 China.

[This corrects the article DOI: 10.1016/***.2021.e07933.].

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Robot spray painting trajectory optimization

Robot spray painting trajectory optimization

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IEEE International Conference on Automation Science and engineering (CASE)

作者： Daniel Gleeson Stefan Jakobsson Raad Salman Niklas Sandgren Fredrik Edelvik Johan S. Carlson Bengt Lennartson Geometry and Motion Planning Fraunhofer-Chalmers Centre Chalmers Science Park Göteborg Sweden Automation Research Group Chalmers University of Technology Göteborg Sweden Designvägen 2 Arcam EBM a GE Additive Company Mölnlycke Sweden Computational Engineering and Design Fraunhofer-Chalmers Centre Chalmers Science Park Göteborg Sweden

ISBN: (数字)9781728169040

ISBN: (纸本)9781728169057

In the manufacturing industry, spray painting is often an important part of the process. Especially in the automotive industry, the perceived quality of the final product is closely linked to the exactness and smoothness of the painting process. For complex products or low batch size production, manual spray painting is often used. But in large scale production with a high degree of automation, the painting is normally performed by industrial robots. There is a need to improve and simplify the generation of robot trajectories used in industrial paint booths. A method for spray paint optimization is presented, which can be used to smooth out an initial trajectory and minimize paint thickness deviations from a target thickness. By fitting a spline function to experimental data, an applicator footprint profile is determined, which is a two-dimensional reference function of the applied paint thickness. This footprint profile is then projected to the geometry and used as a deposition model at each point along the trajectory. The positions and durations of all trajectory segments are used as optimization variables. They are modified with the primary goal to obtain a paint applicator trajectory, which will closely match a target paint thickness when executed. The algorithm is shown to produce satisfactory results on both a simple 2-dimensional test example, and a nontrivial industrial case of painting a tractor render. The final trajectory shows an overall thickness close to the target thickness, and the resulting trajectory is feasible to execute directly on an industrial robot.

关键词： Paints Trajectory Painting Optimization Applicators Robots Geometry

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Bimodal parametric excitation of a micro-ring gyroscope

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PAMM 2021年第1期20卷

作者： Ahmed A. Barakat Roberta Lima Rubens Sampaio Peter Hagedorn Dynamics and Vibrations Group Technical University of Darmstadt Dolivostr.15 64293 Darmstadt Germany Graduate School of Computational Engineering Technical University of Darmstadt Dolivostr. 15 64293 Darmstadt Germany Design and Production Engineering Dept. Faculty of Engineering Ain Shams University ElSarayat St. 1 11517 Cairo Egypt Mechanical Engineering Dept. Pontifícia Universidade Católica do Rio de Janeiro Rio de Janeiro Brazil

Parametric excitation in vibratory systems is known well over hundred years. Recently it is also being exploited in Micro-electromechanical Systems (MEMS). One example of these are micro-ring gyroscopes, which are used in the automotive, the navigation and in the space industries. The sensitivity of such gyroscopes can be impaired by signal noise induced through parasitic capacitance between drive and sense electrodes. Applying parametric excitation and exploiting parametric amplification recently was shown to open new promising paths. On the theoretical side of parametric vibrations, recently it was found that the simultaneous parametric excitations in two coordinates or more with phase difference can lead to very interesting phenomena. The micro-ring gyroscope is a good example of making use of parametric excitation and amplification to solve some of the problems in the modern MEMS. This work aims at modelling a micro-ring gyroscope with two simultaneous phase lagged parametric excitations. The equations of motion can be derived using Hamilton's principle, both for an inextensible as well as for the extensible ring, and in the fully symmetric cases the eigenvalue problem can be solved analytically. The completely symmetric problem, leads to two eigenfunctions for any given eigenfrequency, except for the fundamental ones. The axial symmetry is in general destroyed by the way in which the vibrating ring is elastically supported by discrete elastic supports. Instead of truly double eigenfrequencies, the problem then has pairs of two closely spaced eigenfrequencies. In the simplest case, the ring can then be described by two generalized coordinates. Making use of direct excitation of each of the modes, as well as parametric excitation, makes it possible to exploit parametric resonance and parametric amplification. This has been applied before for the micro-ring gyroscope, however not for the case of parametric excitation in two coordinates and with phase lag between t

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HI discs of L∗ galaxies as probes of the baryonic physics of galaxy evolution

arXiv

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arXiv 2023年

作者： Gensior, Jindra Feldmann, Robert Reina-Campos, Marta Trujillo-Gomez, Sebastian Mayer, Lucio Keller, Benjamin W. Wetzel, Andrew Kruijssen, J.M. Diederik Hopkins, Philip F. Moreno, Jor e Department of Astrophysics University of Zurich Winterthurerstrasse 190 Zürich8057 Switzerland Department of Physics & Astronomy McMaster University 1280 Main Street West HamiltonL8S 4M1 Canada University of Toronto 60 St George St TorontoM5S 3H8 Canada Astroinformatics Group Heidelberg Institute for Theoretical Studies Schloss-Wolfsbrunnenweg 35 Heidelberg69118 Germany Astronomisches Rechen Institut Zentrum für Astronomie der Universität Heidelberg Mönchhofstraße 12-14 Heidelberg69120 Germany Department of Physics and Materials Science University of Memphis 3720 Alumni Avenue MemphisTN38152 United States Department of Physics & Astronomy University of California DavisCA95616 United States Technical University of Munich School of Engineering and Design Department of Aerospace and Geodesy Remote Sensing Technology Arcisstr. 21 Munich80333 Germany Research DAO coolresearch.io California Institute of Technology TAPIR Mailcode 350-17 PasadenaCA91125 United States Department of Physics and Astronomy Pomona College ClaremontCA91711 United States Center for Computational Astrophysics Flatiron Institute 162 Fifth Avenue New YorkNY10010 United States

Understanding what shapes the cold gas component of galaxies, which both provides the fuel for star formation and is strongly affected by the subsequent stellar feedback, is a crucial step towards a better understanding of galaxy evolution. Here, we analyse the HI properties of a sample of 46 Milky Way halo-mass galaxies, drawn from cosmological simulations (EMP-Pathfinder and Firebox). This set of simulations comprises galaxies evolved self-consistently across cosmic time with different baryonic sub-grid physics: three different star formation models [constant star formation efficiency (SFE) with different star formation eligibility criteria, and an environmentally-dependent, turbulence-based SFE] and two different feedback prescriptions, where only one sub-sample includes early stellar feedback. We use these simulations to assess the impact of different baryonic physics on the HI content of galaxies. We find that the galaxy-wide HI properties agree with each other and with observations. However, differences appear for small-scale properties. The thin HI discs observed in the local Universe are only reproduced with a turbulence-dependent SFE and/or early stellar feedback. Furthermore, we find that the morphology of HI discs is particularly sensitive to the different physics models: galaxies simulated with a turbulence-based SFE have discs that are smoother and more rotationally symmetric, compared to those simulated with a constant SFE;galaxies simulated with early stellar feedback have more regular discs than supernova-feedback-only galaxies. We find that the rotational asymmetry of the HI discs depends most strongly on the underlying physics model, making this a promising observable for understanding the physics responsible for shaping the interstellar medium of galaxies. Copyright © 2023, The Authors. All rights reserved.

关键词： Galaxies

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A numerical study of the effect of ply-layup on the strength and stiffness of a composite T-joint under three point bending (vol 31, pg 2124, 2017)

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JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY 2017年第19-20期31卷 I-I页

作者： Azam, Ammar Mubashar, Aamir Ashcroft, Ian Anthony Uddin, Emad Jaffery, Syed Husain Imran Computational Mechanics Group Department of Mechanical Engineering School of Mechanical and Manufacturing Engineering National University of Sciences and Technology (NUST) Islamabad Pakistanhttp://***/0000-0002-2299-1939 Computational Mechanics Group Department of Mechanical Engineering School of Mechanical and Manufacturing Engineering National University of Sciences and Technology (NUST) Islamabad Pakistan Faculty of Engineering University of Nottingham Nottingham UK Computational Mechanics Group Department of Mechanical Engineering School of Mechanical and Manufacturing Engineering National University of Sciences and Technology (NUST) Islamabad Pakistan Department of Manufacturing and Design Engineering School of Mechanical and Manufacturing Engineering National University of Sciences and Technology (NUST) Islamabad Pakistan

This paper discusses the effects of various ply-layup orientations on the bending stiffness of a composite T-joint by determining the in-plane and out-of-plane stress fields developed under three-point bending conditions. The failure load and crack development in the T-joints with selected ply-layups are also considered. A three dimensional finite element model of the composite T-joint was developed and validated by comparison with experimental results. Five selected ply-layups were applied to the validated composite T-joint model and in-plane as well as out-of-plane stress fields investigated. It was found that bending stiffness was primarily influenced by plies that came under tension during the application of the force. Symmetric layups with ply angles that cancel the tensile stiffening effects reduce the bending stiffness. No appreciable out of plane coupling effects were observed and thus the overall magnitudes of the out of plane shear forces were not significant when compared with in-plane stresses. Damage initiated at the sites of stress concentration at the ends of the adhesive layer and cracks propagated towards the middle of the T-joint.

关键词： Composite T-joint adhesive cohesive zone modelling

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Aircraft topology generation via recursive component fitting operators 18

Aircraft topology generation via recursive component fitting...

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18th AIAA/ISSMO Multidisciplinary Analysis and Optimization Conference, 2017

作者： Chambers, Paul Sóbester, András University of Southampton Computational Engineering Design Group SouthamptonSO17 1BJ United Kingdom

ISBN: (数字)9781624105074

ISBN: (纸本)9781624105074

Despite the significant impact of aircraft configuration design decisions on the performance of the final product, these decisions remain largely guided by empirical data, or trial and error. As a result, overcoming topological prejudice (i.e., bias towards a particular solution, usually a legacy solution) remains a key challenge for the future of air vehicle design. This paper aims to build on previous suggestions for aircraft topology parametrization using component hierarchies, and in doing so, highlight the need for a more comprehensive search of the associated design space. To do this, we first describe the use of a vocabulary of parametric scripted components, emphasizing the importance of robust software engineering for this problem due to the necessity for manipulating components of arbitrary type. Second, we show the implementation of a parametric topology model, utilizing a series of recursive component fitting functions as the primitives in an automated search process. Case studies presented herein suggest that approximately 300,000 evaluations may be required to obtain the global optimum using this method for a small problem size (fewer components), which we believe to be in the practicable range given low fidelity analysis. Finally, we suggest future work that could enhance the feasibility of the model for practical use in larger problem sizes. © 2017 American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

关键词： Topology

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Study on building machine learning model to predict biodegradable-ready materials

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AIP Conference Proceedings 2019年第1期2088卷

作者： Refaldi Intri Dwi Putra Arifin Luthfi Maulana Adhitya Gandaryus Saputro 1Computational Material Design Laboratory Engineering Physics Research Group Faculty of Industrial Technology Institut Teknologi Bandung Bandung Indonesia

A material could be harmful to the environment if it does not decay for a long period of time. Regulations such as European REACH are also established to ensure the products from manufacturers have information about biodegradability. However, not all the products have the biodegradation information since testing it all requires time and efforts. QSARs (Quantitative Structure-Activity Relationships) model is encouragingly used to predict the classification of biodegradation for a chemical compound. QSARs model could be extracted from experimental result or by material design simulation. In this study, artificial neural network (ANN) and support vector machine (SVM) model were built to predict ready-biodegradation of a chemical compound. The model was built based on dataset that had been used by Mansouri et al (Kamel Mansouri et al, 2013) on their study. Dataset consisted of 1055 chemical compounds and 41 molecular descriptions for each chemical compound. During building machine learning model, dataset were randomly separated into 791 data for training dataset and 294 data for testing dataset. Scaler was used to standardize the data and since the data consists of multi features, it was reduced by applying 4 principal component analysis (PCA). ANN was built based on many layer perceptrons, several activation functions and solvers were used to find the optimum model. SVM was also built with optimum parameters. The result was the models could classify the biodegradability very well and have quite high accuracy prediction.

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Filamin C dimerisation is regulated by HSPB7

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Nature Communications 2025年第1期16卷 1-16页

作者： Wang, Zihao Cao, Guodong Collier, Miranda P. Qiu, Xingyu Broadway-Stringer, Sophie Šaman, Dominik Ng, Jediael Z. Y. Sen, Navoneel Azad, Amar J. Hooper, Charlotte Zimmermann, Johannes McDonough, Michael A. Brem, Jürgen Rabe, Patrick Song, Haigang Alderson, T. Reid Schofield, Christopher J. Bolla, Jani R. Djinovic-Carugo, Kristina Fürst, Dieter O. Warscheid, Bettina Degiacomi, Matteo T. Allison, Timothy M. Hochberg, Georg K. A. Robinson, Carol V. Gehmlich, Katja Benesch, Justin L. P. Department of Chemistry Dorothy Crowfoot Hodgkin Building University of Oxford Oxford United Kingdom Kavli Institute for Nanoscience Discovery University of Oxford Oxford United Kingdom School of Molecular and Cellular Biology Faculty of Biological Sciences University of Leeds Leeds United Kingdom Cardiovascular Sciences School of Medical Sciences University of Birmingham Birmingham United Kingdom Evolutionary Biochemistry Group Max Planck Institute for Terrestrial Microbiology Marburg Germany Center of Biological Design Berlin Institute of Health at Charité Universitätsmedizin Berlin Berlin Germany Division of Cardiovascular Medicine Radcliffe Department of Medicine and British Heart Foundation Centre of Research Excellence Oxford University of Oxford Oxford United Kingdom Biochemistry II Theodor Boveri-Institute Biocenter Chemistry and Pharmacy University of Würzburg Würzburg Germany Department of Chemistry Chemistry Research Laboratory Oxford United Kingdom Enzymology and Applied Biocatalysis Research Center Faculty of Chemistry and Chemical Engineering Babes-Bolyai University Cluj-Napoca Romania Diamond Light Source Harwell Science and Innovation Campus Oxfordshire United Kingdom Helmholtz Munich Molecular Targets and Therapeutics Center Institute of Structural Biology Neuherberg Germany Technical University of Munich TUM School of Natural Sciences Department of Bioscience Bavarian NMR Center Garching Germany Ineos Oxford Institute for Antimicrobial Research University of Oxford Oxford United Kingdom Department of Biology University of Oxford Oxford United Kingdom European Molecular Biology Laboratory Grenoble France Department of Structural and Computational Biology Max Perutz Labs University of Vienna Vienna Austria Institute for Cell Biology University of Bonn Bonn Germany Department of Physics Durham University Durham United Kingdom School of Informatics and EaStCHEM School of Chemistry University of Edinburgh Edinburgh United Kingdom

The biomechanical properties and responses of tissues underpin a variety important of physiological functions and pathologies. In striated muscle, the actin-binding protein filamin C (FLNC) is a key protein whose variants causative for a wide range of cardiomyopathies and musculoskeletal pathologies. FLNC is a multi-functional protein that interacts with a variety of partners, however, how it is regulated at the molecular level is not well understood. Here we investigate its interaction with HSPB7, a cardiac-specific molecular chaperone whose absence is embryonically lethal. We find that FLNC and HSPB7 interact in cardiac tissue under biomechanical stress, forming a strong hetero-dimer whose structure we solve by X-ray crystallography. Our quantitative analyses show that the hetero-dimer out-competes the FLNC homo-dimer interface, potentially acting to abrogate the ability of the protein to cross-link the actin cytoskeleton, and to enhance its diffusive mobility. We show that phosphorylation of FLNC at threonine 2677, located at the dimer interface and associated with cardiac stress, acts to favour the homo-dimer. Conversely, phosphorylation at tyrosine 2683, also at the dimer interface, has the opposite effect and shifts the equilibrium towards the hetero-dimer. Evolutionary analysis and ancestral sequence reconstruction reveals this interaction and its mechanisms of regulation to date around the time primitive hearts evolved in chordates. Our work therefore shows, structurally, how HSPB7 acts as a specific molecular chaperone that regulates FLNC dimerisation. © The Author(s) 2025.

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A theoretical study of the rearranging trans-HCOH to H2CO via quantum tunneling with DFT and WKB approximation

A theoretical study of the rearranging trans-HCOH to H2CO vi...

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2016 engineering Physics International Conference, EPIC 2016

作者： Fadilla, Rizka Nur Aisyah, Nufida Dwi Dipojono, Hermawan K. Rusydi, Febdian Theoretical Physics Research Group Department of Physics Faculty of Science and Technology Universitas Airlangga Kampus C Jl. Mulyorejo Surabaya 60111 Indonesia Laboratory of Computational Material Design Research Group of Engineering Physics Institute Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia

We attempt to study the stability of trans-HCOH molecule using density functional theory (DFT). Experimentally, trans-HCOH rearranges to H2CO with half life two hours in temperature at 11K whereby quantum tunneling makes the rearrangement possible. We begin from determination of reaction path from trans-HCOH to H2CO followed by its corresponding energy barrier using DFT. Then, we use Wentzel-Kramers-Brillouin (WKB)approximation to get probability of quantum tunneling hence we are able to calculate the rearrangement rate and the half life. To prove the rearrangement is not triggered by internal thermal energy, we calculate rearrangement rate based on the Arrhenius equation. Our calculations predict the halflife of trans-HCOH is 151 minutes (2.5 hours) via quantum tunneling and infinity via internal thermal energy which agrees with the experiment. © 2017 The Authors.

关键词： Thermal energy

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A Theoretical Study of Monodeuteriation Effect on the Rearrangement of Trans-HCOH to H2CO via Quantum Tunneling with DFT and WKB Approximation

A Theoretical Study of Monodeuteriation Effect on the Rearra...

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engineering Physics International Conference, EPIC 2016

作者： Aisyah, Nufida Dwi Fadilla, Rizka Nur Dipojono, Hermawan K. Rusydi, Febdian Theoretical Physics Research Group Departement of Physics Faculty of Science and Technology Universitas Airlangga Kampus C Jl. Mulyorejo Surabaya60111 Indonesia Laboratory of Computational Material Design Research Group of Engineering Physics Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia

We study the effect of replacing hydrogen atom with deuterium (monodeuteriation) on the stability of trans-HCOH using density functional theory. The study begins by verifying that the monodeuteriation does not affect the electronic structure, but it does the vibrational frequency of the molecule. The potential barrier function is predicted using intrinsic reaction coordinate calculation and we use the predicted potential function to calculate the quantum tunneling probability using Wentzel-Kramers-Brillouin(WKB)approximation. We demonstrate the monodeuteration decreases the molecule's vibrational frequency as well as the quantum tunneling probability. The half-life calculation after monodeuteration is 2.97 × 1016 hours, which is extremely longer than before monodeuteration that is only 2.5 hours using the same calculation methods. © 2017 The Authors.

关键词： Density functional theory

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