Exploring coordination-driven self-assembly with autonomous chemical robots

The work presented herein focused on the automation of coordination-driven self assembly, exploring methods that allow syntheses to be followed more closely while forming new ligands, as part of the fundamental study of the digitization of chemical synthesis and discovery. Whilst the control and understanding of the principle of pre-organization and self-sorting under non-equilibrium conditions remains a key goal, a clear gap has been identified in the absence of approaches that can permit fast screening and real-time observation of the reaction process under different conditions. A firm emphasis was thus placed on the realization of an autonomous chemical robot, which can not only monitor and manipulate coordination chemistry in real-time, but can also allow the exploration of a large chemical parameter space defined by the ligand building blocks and the metal to coordinate. The self-assembly of imine ligands with copper and nickel cations has been studied in a multi-step approach using a self-built flow system capable of automatically controlling the liquid-handling and collecting data in real-time using a benchtop MS and NMR spectrometer. This study led to the identification of a transient Cu(I) species in situ which allows for the formation of dimeric and trimeric carbonato bridged Cu(II) assemblies. Furthermore, new Ni(II) complexes and more remarkably also a new binuclear Cu(I) complex, which usually requires long and laborious inert conditions, could be isolated. The study was then expanded to the autonomous optimization of the ligand synthesis by enabling feedback control on the chemical system via benchtop NMR. The synthesis of new polydentate ligands has emerged as a result of the study aiming to enhance the complexity of the chemical system to accelerate the discovery of new complexes. This type of ligand consists of 1-pyridinyl-4-imino-1,2,3-triazole units, which can coordinate with different metal salts. The studies to test for the CuAAC synthesis via microwave lead to the discovery of four new Cu complexes, one of them being a coordination polymer obtained from a solvent dependent crystallization technique. With the goal of easier integration into an automated system, copper tubing has been exploited as the chemical reactor for the synthesis of this ligand, as it efficiently enhances the rate of the triazole formation and consequently promotes the formation of the full ligand in high yields within two hours. Lastly, the digitization of coordination-driven self-assembly has been realized for the first time using an in-house autonomous chemical robot, herein named the ‘Finder’. The chemical parameter space to explore was defined by the selection of six variables, which consist of the ligand precursors necessary to form complex ligands (aldehydes, alkineamines and azides), of the metal salt solutions and of other reaction parameters – duration, temperature and reagent volumes. The platform was assembled using rounded bottom flasks, flow syringe pumps, copper tubing, as an active reactor, and in-line analytics – a pH meter probe, a UV-vis flow cell and a benchtop MS. The control over the system was then obtained with an algorithm capable of autonomously focusing the experiments on the most reactive region (by avoiding areas of low interest) of the chemical parameter space to explore. This study led to interesting observations, such as metal exchange phenomena, and also to the autonomous discovery of self assembled structures in solution and solid state – such as 1-pyridinyl-4-imino-1,2,3-triazole based Fe complexes and two helicates based on the same ligand coordination motif.

Análisis narratológico comparativo de los cuentos “La fosa numerada”, de Melitón Barba; “Los robots deben ser atentos”, de Álvaro Menen Desleal; y “La muerte de churruca”, de José María Méndez

Finalmente se realiza el análisis de las muestras elegidas con la finalidad de identificar si los aspectos del método de Barthes se cumplen a cabalidad y qué tipo de discrepancias surgen en cada interpretación, si es que existen se comprobarán por medio de la comparación entre ellas lo cual permitirá obtener resultados para verificar la vigencia de los métodos a través del tiempo, visualizando y sustentando el tema de este trabajo, además de contribuir en futuras investigaciones de la temática

TORP: The Open Robot Project A Framework for Module-Based Robots

The development of robots has shown itself as a very complex interdisciplinary research field. The predominant procedure for these developments in the last decades is based on the assumption that each robot is a fully personalized project, with the direct embedding of hardware and software technologies in robot parts with no level of abstraction. Although this methodology has brought countless benefits to the robotics research, on the other hand, it has imposed major drawbacks: (i) the difficulty to reuse hardware and software parts in new robots or new versions; (ii) the difficulty to compare performance of different robots parts; and (iii) the difficulty to adapt development needs-in hardware and software levels-to local groups expertise. Large advances might be reached, for example, if physical parts of a robot could be reused in a different robot constructed with other technologies by other researcher or group. This paper proposes a framework for robots, TORP (The Open Robot Project), that aims to put forward a standardization in all dimensions (electrical, mechanical and computational) of a robot shared development model. This architecture is based on the dissociation between the robot and its parts, and between the robot parts and their technologies. In this paper, the first specification for a TORP family and the first humanoid robot constructed following the TORP specification set are presented, as well as the advances proposed for their improvement.

Mimicking the behaviour of idiotypic AIS robot controllers using probabilistic systems

Previous work has shown that robot navigation systems that employ an architecture based upon the idiotypic network theory of the immune system have an advantage over control techniques that rely on reinforcement learning only. This is thought to be a result of intelligent behaviour selection on the part of the idiotypic robot. In this paper an attempt is made to imitate idiotypic dynamics by creating controllers that use reinforcement with a number of different probabilistic schemes to select robot behaviour. The aims are to show that the idiotypic system is not merely performing some kind of periodic random behaviour selection, and to try to gain further insight into the processes that govern the idiotypic mechanism. Trials are carried out using simulated Pioneer robots that undertake navigation exercises. Results show that a scheme that boosts the probability of selecting highly-ranked alternative behaviours to 50% during stall conditions comes closest to achieving the properties of the idiotypic system, but remains unable to match it in terms of all round performance.

Reporting pharmacy staff communication for OTC medicines encounters with simulated patients

Poster presented at the 44th ESCP Symposium on Clinical Pharmacy. Lisbon, 28-30 October 2015

Generación de trayectorias y evaluación de desempeño de robots manipuladores

Actualmente, en los procesos de fabricación industrial los robots manipuladores son componentes esenciales, esto se debe a las diversas tareas que son capa es de realizar, tales como: ensamble, soldadura, manipulación de objetos, dispensación, entre otras. Sin embargo, di has aplicaciones son para escenarios geométricos limitados y simplificados, además la programación es compleja, por lo que se consume mucho tiempo en la programación. Entonces, cuando el volumen de producción es bajo o está en continuo cambio, sigue siendo necesaria la intervención de humanos expertos para realizar estas tareas. De acuerdo a lo anterior, en esta tesis se propone una metodología basada en sensores de unidad de medición inercial, en inglés Inertial Measurement Units (IMU), y fusión de sensores para la adquisición de las trayectorias realizadas por un humano, estimación de orientación en dos dimensiones y estimación de posición en 3 dimensiones. Además, se involucra el modelado de robots manipuladores, generación de trayectorias, control cinemático empleado en la programación del robot, y por último una evaluación de desempeño del movimiento del robot basado en índices de desempeño. Los resultados experimentales obtenidos muestran que la metodología aplicada es capaz de estimar la trayectoria (en posición y orientación) a partir de los datos adquiridos de la trayectoria realizada por un humano sin el uso de Sistemas de Visión Computacional (SVC). El propósito principal de esta investigación es el desarrollo de una metodología, en la cual los datos coordenados de las trayectorias realizadas por humanos expertos puedan ser emuladas lo más preciso posible por robots manipuladores, sin consumir demasiado tiempo en la programación manual de posición y movimiento del robot en cada punto de la trayectoria deseada.

Kinematics and Local Motion Planning for Quasi-static Whole-body Mobile Manipulation

This thesis studies mobile robotic manipulators, where one or more robot manipulator arms are integrated with a mobile robotic base. The base could be a wheeled or tracked vehicle, or it might be a multi-limbed locomotor. As robots are increasingly deployed in complex and unstructured environments, the need for mobile manipulation increases. Mobile robotic assistants have the potential to revolutionize human lives in a large variety of settings including home, industrial and outdoor environments.

Mobile Manipulation is the use or study of such mobile robots as they interact with physical objects in their environment. As compared to fixed base manipulators, mobile manipulators can take advantage of the base mechanism’s added degrees of freedom in the task planning and execution process. But their use also poses new problems in the analysis and control of base system stability, and the planning of coordinated base and arm motions. For mobile manipulators to be successfully and efficiently used, a thorough understanding of their kinematics, stability, and capabilities is required. Moreover, because mobile manipulators typically possess a large number of actuators, new and efficient methods to coordinate their large numbers of degrees of freedom are needed to make them practically deployable. This thesis develops new kinematic and stability analyses of mobile manipulation, and new algorithms to efficiently plan their motions.

I first develop detailed and novel descriptions of the kinematics governing the operation of multi- limbed legged robots working in the presence of gravity, and whose limbs may also be simultaneously used for manipulation. The fundamental stance constraint that arises from simple assumptions about friction and the ground contact and feasible motions is derived. Thereafter, a local relationship between joint motions and motions of the robot abdomen and reaching limbs is developed. Baseeon these relationships, one can define and analyze local kinematic qualities including limberness, wrench resistance and local dexterity. While previous researchers have noted the similarity between multi- fingered grasping and quasi-static manipulation, this thesis makes explicit connections between these two problems.

The kinematic expressions form the basis for a local motion planning problem that that determines the joint motions to achieve several simultaneous objectives while maintaining stance stability in the presence of gravity. This problem is translated into a convex quadratic program entitled the balanced priority solution, whose existence and uniqueness properties are developed. This problem is related in spirit to the classical redundancy resoxlution and task-priority approaches. With some simple modifications, this local planning and optimization problem can be extended to handle a large variety of goals and constraints that arise in mobile-manipulation. This local planning problem applies readily to other mobile bases including wheeled and articulated bases. This thesis describes the use of the local planning techniques to generate global plans, as well as for use within a feedback loop. The work in this thesis is motivated in part by many practical tasks involving the Surrogate and RoboSimian robots at NASA/JPL, and a large number of examples involving the two robots, both real and simulated, are provided.

Finally, this thesis provides an analysis of simultaneous force and motion control for multi- limbed legged robots. Starting with a classical linear stiffness relationship, an analysis of this problem for multiple point contacts is described. The local velocity planning problem is extended to include generation of forces, as well as to maintain stability using force-feedback. This thesis also provides a concise, novel definition of static stability, and proves some conditions under which it is satisfied.

An assisted navigation method for telepresence robots

Telepresence robots have emerged as a new means of interaction in remote environments. However, the use of such robots is still limited due to safety and usability issues when operating in human-like environments. This work addresses these issues by enhancing the robot navigation through a collaborative control method that assists the user to negotiate obstacles. The method has been implemented in a commercial telepresence robot and a user study has been conducted in order to test the suitability of our approach.

Enhancing smart environments with mobile robots

Sensor networks are becoming popular nowadays in the development of smart environments. Heavily relying on static sensor and actuators, though, such environments usually lacks of versatility regarding the provided services and interaction capabilities. Here we present a framework for smart environments where a service robot is included within the sensor network acting as a mobile sensor and/or actuator. Our framework integrates on-the-shelf technologies to ensure its adaptability to a variety of sensor technologies and robotic software. Two pilot cases are presented as evaluation of our proposal.

La responsabilité civile dans les cas de dommages causés par les robots d’assistance au Québec

Le développement exponentiel de la technologie et le vieillissement de la population permettent d’introduire dans notre quotidien les robots d’assistance. La coexistence de l’homme avec ces robots intelligents et autonomes soulève une question fondamentale: dans l’éventualité où un robot provoquerait un accident causant un dommage à une personne ou à un bien qui serait le responsable? Aucune loi ne réglemente les activités de la robotique d’assistance dans le monde. Cette étude vise l’analyse de l’applicabilité des régimes de responsabilité du Code Civil du Québec aux cas de dommages causés par le robot d’assistance. L’analyse des régimes de responsabilité du Code civil du Québec permet de constater que deux régimes de responsabilité sont susceptibles d’être appliqués aux cas spécifiques de dommages causés par le robot d’assistance: le régime de responsabilité du fait des biens, énoncé à l’article 1465 C.c.Q., et le régime de responsabilité du fait des fabricants et vendeurs spécialisés, énoncé à l’article 1468 C.c.Q. Cela s’explique par la présence de critères et de conditions de mise en œuvre des régimes qui sont transposables aux différents aspects concernant la fabrication et l’utilisation du robot d’assistance.

Assessing Decision Making Skill in Complex and Dynamic Environments Using Representative and Simulated Tasks

Traditional decision making research has often focused on one's ability to choose from a set of prefixed options, ignoring the process by which decision makers generate courses of action (i.e., options) in-situ (Klein, 1993). In complex and dynamic domains, this option generation process is particularly critical to understanding how successful decisions are made (Zsambok & Klein, 1997). When generating response options for oneself to pursue (i.e., during the intervention-phase of decision making) previous research has supported quick and intuitive heuristics, such as the Take-The-First heuristic (TTF; Johnson & Raab, 2003). When generating predictive options for others in the environment (i.e., during the assessment-phase of decision making), previous research has supported the situational-model-building process described by Long Term Working Memory theory (LTWM; see Ward, Ericsson, & Williams, 2013). In the first three experiments, the claims of TTF and LTWM are tested during assessment- and intervention-phase tasks in soccer. To test what other environmental constraints may dictate the use of these cognitive mechanisms, the claims of these models are also tested in the presence and absence of time pressure. In addition to understanding the option generation process, it is important that researchers in complex and dynamic domains also develop tools that can be used by `real-world' professionals. For this reason, three more experiments were conducted to evaluate the effectiveness of a new online assessment of perceptual-cognitive skill in soccer. This test differentiated between skill groups and predicted performance on a previously established test and predicted option generation behavior. The test also outperformed domain-general cognitive tests, but not a domain-specific knowledge test when predicting skill group membership. Implications for theory and training, and future directions for the development of applied tools are discussed.

Test of a Smock System on CPR Primary Emergency Measures and Medical Errors During Simulated Emergencies

Rates of survival of victims of sudden cardiac arrest (SCA) using cardio pulmonary resuscitation (CPR) have shown little improvement over the past three decades. Since registered nurses (RNs) comprise the largest group of healthcare providers in U.S. hospitals, it is essential that they are competent in performing the four primary measures (compression, ventilation, medication administration, and defibrillation) of CPR in order to improve survival rates of SCA patients. The purpose of this experimental study was to test a color-coded SMOCK system on:1) time to implement emergency patient care measures 2) technical skills performance 3) number of medical errors, and 4) team performance during simulated CPR exercises. The study sample was 260 RNs (M 40 years, SD=11.6) with work experience as an RN (M 7.25 years, SD=9.42).Nurses were allocated to a control or intervention arm consisting of 20 groups of 5-8 RNs per arm for a total of 130 RNs in each arm. Nurses in each study arm were given clinical scenarios requiring emergency CPR. Nurses in the intervention group wore different color labeled aprons (smocks) indicating their role assignment (medications, ventilation, compression, defibrillation, etc) on the code team during CPR. Findings indicated that the intervention using color-labeled smocks for pre-assigned roles had a significant effect on the time nurses started compressions (t=3.03, p=0.005), ventilations (t=2.86, p=0.004) and defibrillations (t=2.00, p=.05) when compared to the controls using the standard of care. In performing technical skills, nurses in the intervention groups performed compressions and ventilations significantly better than those in the control groups. The control groups made significantly (t=-2.61, p=0.013) more total errors (7.55 SD 1.54) than the intervention group (5.60, SD 1.90). There were no significant differences in team performance measures between the groups. Study findings indicate use of colored labeled smocks during CPR emergencies resulted in: shorter times to start emergency CPR; reduced errors; more technical skills completed successfully; and no differences in team performance.

Photo Degradation of Cotnaminants of Emerging concern (CECs) under Simulated Solar Radiation: Implications for their Environmental Fate

Contaminants of emerging concern (CECs) are continuously being released into the environment mainly because of their incomplete removal in the sewage treatment plants (STPs). The CECs selected for the study include antibiotics (macrolides, sulfonamides and ciprofloxacin), sucralose (an artificial sweetener) and dioctyl sulfosuccinate (DOSS, chemical dispersant used in the Deepwater Horizon oil spill). After being discharged into waterways from STPs, photo degradation is a key factor in dictating the environmental fate of antibiotics and sucralose. Photodegradation efficiency depends on many factors such as pH of the matrix, matrix composition, light source and structure of the molecule. These factors exert either synergistic or antagonistic effects in the environment and thus experiments with isolated factors may not yield the same results as the natural environmental processes. Hence in the current study photodegradation of 13 CECs (antibiotics, sucralose and dicotyl sulfosuccinate) were evaluated using natural water matrices with varying composition (deionized water, fresh water and salt water) as well as radiation of different wavelengths (254 nm, 350 nm and simulated solar radiation) in order to mimic natural processes. As expected the contribution of each factor on the overall rate of photodegradation is contaminant specific, for example under similar conditions, the rate in natural waters compared to pure water was enhanced for antibiotics (2-11 fold), significantly reduced for sucralose (no degradation seen in natural waters) and similar in both media for DOSS. In general, it was observed that the studied compounds degraded faster at 254 nm, while when using a simulated sunlight radiation the rate of photolysis of DOSS increased and the rates for antibiotics decreased in comparison to the 350 nm radiation. The photo stability of the studied CECs followed the order sucralose > DOSS > macrolides > sulfonamides > ciprofloxacin and a positive relationship was observed between photo stability and their ubiquitous presence in natural aquatic matrices. An online LC-MS/MS method was developed and validated for sucralose and further applied to reclaimed waters (n =56) and drinking waters (n = 43) from South Florida. Sucralose was detected in reclaimed waters with concentrations reaching up to 18 µg/L. High frequency of detection (> 80%) in drinking waters indicate contamination of ground waters in South Florida by anthropogenic activity.

La responsabilité civile dans les cas de dommages causés par les robots d’assistance au Québec

Le développement exponentiel de la technologie et le vieillissement de la population permettent d’introduire dans notre quotidien les robots d’assistance. La coexistence de l’homme avec ces robots intelligents et autonomes soulève une question fondamentale: dans l’éventualité où un robot provoquerait un accident causant un dommage à une personne ou à un bien qui serait le responsable? Aucune loi ne réglemente les activités de la robotique d’assistance dans le monde. Cette étude vise l’analyse de l’applicabilité des régimes de responsabilité du Code Civil du Québec aux cas de dommages causés par le robot d’assistance. L’analyse des régimes de responsabilité du Code civil du Québec permet de constater que deux régimes de responsabilité sont susceptibles d’être appliqués aux cas spécifiques de dommages causés par le robot d’assistance: le régime de responsabilité du fait des biens, énoncé à l’article 1465 C.c.Q., et le régime de responsabilité du fait des fabricants et vendeurs spécialisés, énoncé à l’article 1468 C.c.Q. Cela s’explique par la présence de critères et de conditions de mise en œuvre des régimes qui sont transposables aux différents aspects concernant la fabrication et l’utilisation du robot d’assistance.