scholarly journals Building blocks for commodity augmented reality-based molecular visualization and modeling in web browsers

2020 ◽  
Vol 6 ◽  
pp. e260
Author(s):  
Luciano A. Abriata

For years, immersive interfaces using virtual and augmented reality (AR) for molecular visualization and modeling have promised a revolution in the way how we teach, learn, communicate and work in chemistry, structural biology and related areas. However, most tools available today for immersive modeling require specialized hardware and software, and are costly and cumbersome to set up. These limitations prevent wide use of immersive technologies in education and research centers in a standardized form, which in turn prevents large-scale testing of the actual effects of such technologies on learning and thinking processes. Here, I discuss building blocks for creating marker-based AR applications that run as web pages on regular computers, and explore how they can be exploited to develop web content for handling virtual molecular systems in commodity AR with no more than a webcam- and internet-enabled computer. Examples span from displaying molecules, electron microscopy maps and molecular orbitals with minimal amounts of HTML code, to incorporation of molecular mechanics, real-time estimation of experimental observables and other interactive resources using JavaScript. These web apps provide virtual alternatives to physical, plastic-made molecular modeling kits, where the computer augments the experience with information about spatial interactions, reactivity, energetics, etc. The ideas and prototypes introduced here should serve as starting points for building active content that everybody can utilize online at minimal cost, providing novel interactive pedagogic material in such an open way that it could enable mass-testing of the effect of immersive technologies on chemistry education.

Author(s):  
K Lato ◽  
N Degregorio ◽  
C Lato ◽  
F Schochter ◽  
U Simon ◽  
...  
Keyword(s):  

1996 ◽  
Vol 76 (06) ◽  
pp. 0939-0943 ◽  
Author(s):  
B Boneu ◽  
G Destelle ◽  

SummaryThe anti-aggregating activity of five rising doses of clopidogrel has been compared to that of ticlopidine in atherosclerotic patients. The aim of this study was to determine the dose of clopidogrel which should be tested in a large scale clinical trial of secondary prevention of ischemic events in patients suffering from vascular manifestations of atherosclerosis [CAPRIE (Clopidogrel vs Aspirin in Patients at Risk of Ischemic Events) trial]. A multicenter study involving 9 haematological laboratories and 29 clinical centers was set up. One hundred and fifty ambulatory patients were randomized into one of the seven following groups: clopidogrel at doses of 10, 25, 50,75 or 100 mg OD, ticlopidine 250 mg BID or placebo. ADP and collagen-induced platelet aggregation tests were performed before starting treatment and after 7 and 28 days. Bleeding time was performed on days 0 and 28. Patients were seen on days 0, 7 and 28 to check the clinical and biological tolerability of the treatment. Clopidogrel exerted a dose-related inhibition of ADP-induced platelet aggregation and bleeding time prolongation. In the presence of ADP (5 \lM) this inhibition ranged between 29% and 44% in comparison to pretreatment values. The bleeding times were prolonged by 1.5 to 1.7 times. These effects were non significantly different from those produced by ticlopidine. The clinical tolerability was good or fair in 97.5% of the patients. No haematological adverse events were recorded. These results allowed the selection of 75 mg once a day to evaluate and compare the antithrombotic activity of clopidogrel to that of aspirin in the CAPRIE trial.


2014 ◽  
Vol 31 (2) ◽  
Author(s):  
Mariela Gabioux ◽  
Vladimir Santos da Costa ◽  
Joao Marcos Azevedo Correia de Souza ◽  
Bruna Faria de Oliveira ◽  
Afonso De Moraes Paiva

Results of the basic model configuration of the REMO project, a Brazilian approach towards operational oceanography, are discussed. This configuration consists basically of a high-resolution eddy-resolving, 1/12 degree model for the Metarea V, nested in a medium-resolution eddy-permitting, 1/4 degree model of the Atlantic Ocean. These simulations performed with HYCOM model, aim for: a) creating a basic set-up for implementation of assimilation techniques leading to ocean prediction; b) the development of hydrodynamics bases for environmental studies; c) providing boundary conditions for regional domains with increased resolution. The 1/4 degree simulation was able to simulate realistic equatorial and south Atlantic large scale circulation, both the wind-driven and the thermohaline components. The high resolution simulation was able to generate mesoscale and represent well the variability pattern within the Metarea V domain. The BC mean transport values were well represented in the southwestern region (between Vitória-Trinidade sea mount and 29S), in contrast to higher latitudes (higher than 30S) where it was slightly underestimated. Important issues for the simulation of the South Atlantic with high resolution are discussed, like the ideal place for boundaries, improvements in the bathymetric representation and the control of bias SST, by the introducing of a small surface relaxation. In order to make a preliminary assessment of the model behavior when submitted to data assimilation, the Cooper & Haines (1996) method was used to extrapolate SSH anomalies fields to deeper layers every 7 days, with encouraging results.


CHEMKON ◽  
2021 ◽  
Author(s):  
Anja Tschiersch ◽  
Manuel Krug ◽  
Johannes Huwer ◽  
Amitabh Banerji

2021 ◽  
Vol 104 (1) ◽  
pp. 003685042098705
Author(s):  
Xinran Wang ◽  
Yangli Zhu ◽  
Wen Li ◽  
Dongxu Hu ◽  
Xuehui Zhang ◽  
...  

This paper focuses on the effects of the off-design operation of CAES on the dynamic characteristics of the triple-gear-rotor system. A finite element model of the system is set up with unbalanced excitations, torque load excitations, and backlash which lead to variations of tooth contact status. An experiment is carried out to verify the accuracy of the mathematical model. The results show that when the system is subjected to large-scale torque load lifting at a high rotating speed, it has two stages of relatively strong periodicity when the torque load is light, and of chaotic when the torque load is heavy, with the transition between the two states being relatively quick and violent. The analysis of the three-dimensional acceleration spectrum and the meshing force shows that the variation in the meshing state and the fluctuation of the meshing force is the basic reasons for the variation in the system response with the torque load. In addition, the three rotors in the triple-gear-rotor system studied show a strong similarity in the meshing states and meshing force fluctuations, which result in the similarity in the dynamic responses of the three rotors.


Author(s):  
Sarah Beadle ◽  
Randall Spain ◽  
Benjamin Goldberg ◽  
Mahdi Ebnali ◽  
Shannon Bailey ◽  
...  

Virtual environments and immersive technologies are growing in popularity for human factors purposes. Whether it is training in a low-risk environment or using simulated environments for testing future automated vehicles, virtual environments show promise for the future of our field. The purpose of this session is to have current human factors practitioners and researchers demonstrate their immersive technologies. This is the eighth iteration of the “Me and My VE” interactive session. Presenters in this session will provide a brief introduction of their virtual reality, augmented reality, or virtual environment work before engaging with attendees in an interactive demonstration period. During this period, the presenters will each have a multimedia display of their immersive technology as well as discuss their work and development efforts. The selected demonstrations cover issues of designing immersive interfaces, military and medical training, and using simulation to better understand complex tasks. This includes a mix of government, industry, and academic-based work. Attendees will be virtually immersed in the technologies and research presented allowing for interaction with the work being done in this field.


Water ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 661
Author(s):  
Luigi Piazzi ◽  
Stefano Acunto ◽  
Francesca Frau ◽  
Fabrizio Atzori ◽  
Maria Francesca Cinti ◽  
...  

Seagrass planting techniques have shown to be an effective tool for restoring degraded meadows and ecosystem function. In the Mediterranean Sea, most restoration efforts have been addressed to the endemic seagrass Posidonia oceanica, but cost-benefit analyses have shown unpromising results. This study aimed at evaluating the effectiveness of environmental engineering techniques generally employed in terrestrial systems to restore the P. oceanica meadows: two different restoration efforts were considered, either exploring non-degradable mats or, for the first time, degradable mats. Both of them provided encouraging results, as the loss of transplanting plots was null or very low and the survival of cuttings stabilized to about 50%. Data collected are to be considered positive as the survived cuttings are enough to allow the future spread of the patches. The utilized techniques provided a cost-effective restoration tool likely affordable for large-scale projects, as the methods allowed to set up a wide bottom surface to restore in a relatively short time without any particular expensive device. Moreover, the mats, comparing with other anchoring methods, enhanced the colonization of other organisms such as macroalgae and sessile invertebrates, contributing to generate a natural habitat.


Nanophotonics ◽  
2020 ◽  
Vol 9 (9) ◽  
pp. 3003-3010
Author(s):  
Jiacheng Shi ◽  
Wen Qiao ◽  
Jianyu Hua ◽  
Ruibin Li ◽  
Linsen Chen

AbstractGlasses-free augmented reality is of great interest by fusing virtual 3D images naturally with physical world without the aid of any wearable equipment. Here we propose a large-scale spatial multiplexing holographic see-through combiner for full-color 3D display. The pixelated metagratings with varied orientation and spatial frequency discretely reconstruct the propagating lightfield. The irradiance pattern of each view is tailored to form super Gaussian distribution with minimized crosstalk. What’s more, spatial multiplexing holographic combiner with customized aperture size is adopted for the white balance of virtually displayed full-color 3D scene. In a 32-inch prototype, 16 views form a smooth parallax with a viewing angle of 47°. A high transmission (>75%) over the entire visible spectrum range is achieved. We demonstrated that the displayed virtual 3D scene not only preserved natural motion parallax, but also mixed well with the natural objects. The potential applications of this study include education, communication, product design, advertisement, and head-up display.


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