Exploration of Reaction Pathways and Chemical Transformation Networks

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

Prevalence of haptic feedback in robot-mediated surgery : a systematic review of literature

© 2017 Springer-Verlag. This is a post-peer-review, pre-copyedit version of an article published in Journal of Robotic Surgery. The final authenticated version is available online at: https://doi.org/10.1007/s11701-017-0763-4With the successful uptake and inclusion of robotic systems in minimally invasive surgery and with the increasing application of robotic surgery (RS) in numerous surgical specialities worldwide, there is now a need to develop and enhance the technology further. One such improvement is the implementation and amalgamation of haptic feedback technology into RS which will permit the operating surgeon on the console to receive haptic information on the type of tissue being operated on. The main advantage of using this is to allow the operating surgeon to feel and control the amount of force applied to different tissues during surgery thus minimising the risk of tissue damage due to both the direct and indirect effects of excessive tissue force or tension being applied during RS. We performed a two-rater systematic review to identify the latest developments and potential avenues of improving technology in the application and implementation of haptic feedback technology to the operating surgeon on the console during RS. This review provides a summary of technological enhancements in RS, considering different stages of work, from proof of concept to cadaver tissue testing, surgery in animals, and finally real implementation in surgical practice. We identify that at the time of this review, while there is a unanimous agreement regarding need for haptic and tactile feedback, there are no solutions or products available that address this need. There is a scope and need for new developments in haptic augmentation for robot-mediated surgery with the aim of improving patient care and robotic surgical technology further.Peer reviewe

A novel haptic model and environment for maxillofacial surgical operation planning and manipulation

This paper presents a practical method and a new haptic model to support manipulations of bones and their segments during the planning of a surgical operation in a virtual environment using a haptic interface. To perform an effective dental surgery it is important to have all the operation related information of the patient available beforehand in order to plan the operation and avoid any complications. A haptic interface with a virtual and accurate patient model to support the planning of bone cuts is therefore critical, useful and necessary for the surgeons. The system proposed uses DICOM images taken from a digital tomography scanner and creates a mesh model of the filtered skull, from which the jaw bone can be isolated for further use. A novel solution for cutting the bones has been developed and it uses the haptic tool to determine and define the bone-cutting plane in the bone, and this new approach creates three new meshes of the original model. Using this approach the computational power is optimized and a real time feedback can be achieved during all bone manipulations. During the movement of the mesh cutting, a novel friction profile is predefined in the haptical system to simulate the force feedback feel of different densities in the bone

Expressive haptics for enhanced usability of mobile interfaces in situations of impairments

Designing for situational awareness could lead to better solutions for disabled people, likewise, exploring the needs of disabled people could lead to innovations that can address situational impairments. This in turn can create non-stigmatising assistive technology for disabled people from which eventually everyone could benefit. In this paper, we investigate the potential for advanced haptics to compliment the graphical user interface of mobile devices, thereby enhancing user experiences of all people in some situations (e.g. sunlight interfering with interaction) and visually impaired people. We explore technical solutions to this problem space and demonstrate our justification for a focus on the creation of kinaesthetic force feedback. We propose initial design concepts and studies, with a view to co-create delightful and expressive haptic interactions with potential users motivated by scenarios of situational and permanent impairments.Comment: Presented at the CHI'19 Workshop: Addressing the Challenges of Situationally-Induced Impairments and Disabilities in Mobile Interaction, 2019 (arXiv:1904.05382

Development of active icosahedron and its application to virtual clay modeling

We have developed an active link mechanism for physical man-machine interaction. We report an active icosahedron consisting of intelligent cylinders and its application to virtual clay modeling. Intelligent pneumatic cylinders are newly developed to realize active link mechanisms. This cylinder aims at a novel cylinder in which various sensors and control devices are built. Active link mechanisms are highly integrated and enhanced by intelligent cylinders. A control system is built for the active icosahedron. In the control system, a key element is a control program implementing drawing of a virtual model on display and controlling of active links. Virtual clays are deformed by the program based on the apex positions converted from cylinder lengths. The active icosahedron realized dynamic interaction with virtual objects in PC, showing the potential of the devices as a haptic interface.</p

3DTouch: A wearable 3D input device with an optical sensor and a 9-DOF inertial measurement unit

We present 3DTouch, a novel 3D wearable input device worn on the fingertip for 3D manipulation tasks. 3DTouch is designed to fill the missing gap of a 3D input device that is self-contained, mobile, and universally working across various 3D platforms. This paper presents a low-cost solution to designing and implementing such a device. Our approach relies on relative positioning technique using an optical laser sensor and a 9-DOF inertial measurement unit. 3DTouch is self-contained, and designed to universally work on various 3D platforms. The device employs touch input for the benefits of passive haptic feedback, and movement stability. On the other hand, with touch interaction, 3DTouch is conceptually less fatiguing to use over many hours than 3D spatial input devices. We propose a set of 3D interaction techniques including selection, translation, and rotation using 3DTouch. An evaluation also demonstrates the device's tracking accuracy of 1.10 mm and 2.33 degrees for subtle touch interaction in 3D space. Modular solutions like 3DTouch opens up a whole new design space for interaction techniques to further develop on.Comment: 8 pages, 7 figure