The Inversion Process of 1,3-cyclohexanedione

The inversion process of 1,3-cyclohexanedione was studied to know the energy associated with the chair-chair interconversion. 1,3-cyclohexanedione has a conformational inversion energy of 1.87 kcal/mol evaluated at M06-2x/6-311++G(2d,2p) level of theory. The global process combines inversion and topomerization originated by boat-boat interconversion that includes only two trajectories to the inversion transition state but no six-like cyclohexane, or four-like oxane and thiane. The process includes two different twisted boats associated with a boat transition state. A global scheme is proposed to represent this conformational equilibrium. Resumen. Se estudió el proceso de inversión de la 1,3-ciclohexanediona para conocer la energía asociada a la interconversión silla-silla. La 1,3-ciclohexanediona tiene una energía de inversión conformacional de 1.87 kcal/mol evaluada al nivel de teoría M06-2x/6-311++G(2d,2p). El proceso global combina la inversión y la topomerización originada por la interconversion entre dos confórmeros de bote, que incluye sólo dos trayectorias que conectan con el estado de transición de inversión, a diferencia del ciclohexano que tiene seis, y el oxano y el tiano que cuentan con cuatro. El proceso incluye dos estructuras de botes torcido diferentes asociados a un estado de transición de bote. Se propone un esquema global para representar este equilibrio conformacional.

Design of a Modular Plantar Orthosis System through the Application of TRIZ Methodology Tools

Innovations within the medical device sector are constantly and rapidly emerging due to increasing demand, especially for orthosis systems, which usually constitute built rigids with low comfort, due mainly to the standardized production process. This article reports the design process of a plantar orthosis system from the application of Theory of Inventive Problem Solving (TRIZ) tools, known as generic parameters, matrix of contradictions, and inventive principles. The final orthosis is integrated by four modules or components (1 central and 3 movables) and customers can buy only the required ones, reducing cost in unnecessary parts. The plantar orthosis was defined based on three engineering parameters that delimited the design work by developing a customizable system that is capable of performing simultaneous functions and whose manufacture could be standardized. We identified the existence of a technical contradiction between the engineering parameters, customization, and standardization, which was solved by the inventive principles of segmentation, inversion, transition to a new dimension, and porous materials. A modular design with four components was accomplished, molds are built for each component in a machining center and injected using granulated ethylene vinyl acetate copolymer. The positions of the movable components are configured through a bolt-hole assembly mechanism to the central component, which is a flat perforated plantar base. The novelty in the design here presented is elated to supports that constitute the orthosis, which are interchangeable and adjustable to the pathological and morphological needs of each patient.