We propose a scaling of an intrinsic molecular chirality index calculated from atomic positions. Its application to the design of chiral molecules through a consideration of atomic or group chiral indices is discussed for a range of molecules from small molecules to liquid crystal molecules. It is found to indicate the trend in change of chirality of a molecule caused by an atom or group substitution. Comparison is made between the method of scaling and an analytic calculation of the index for an orthogonal tetrahedron. We investigate the effect of substitution of atoms and groups in real liquid crystal molecules by application of the generalized chiral index.
Across the world, policy initiatives are being developed to engage children with computer programming and computational thinking. Diversity and inclusion has been a strong force in this agenda, but children with disabilities have largely been omitted from the conversation. Currently, there are no age appropriate tools for teaching programming concepts and computational thinking to primary school children with visual disabilities. We address this gap through presenting the design and implementation of Torino, a tangible programming language for teaching programming concepts to children age 7-11 regardless of level of vision. In this paper, we: 1) describe the design process done in conjunction with children with visual disabilities; 2) articulate the design decisions made; and 3) report insights generated from an evaluation with 10 children with mixed visual abilities that considers how children are able to trace (read) and create (write) programs with Torino. We discuss key design trade-offs: 1) readability versus extensibility; and 2) size versus liveness. We conclude by reflecting upon how an inclusive design approach shaped the final result.
It is proposed that molecules having the same or closely similar molecular dimensions be termed "homomorphs." By consideration of the strains present in representative molecular addition compounds, an estimate is reached of the strains present in related homomorphic molecules. It is concluded that strains of 5.4 kcal./mole are present in homomorphs of di-Z-butylmethane, strains of 17 kcal./mole in homomorphs of 2,6-dimethyl-Z-butylbenzene, and strains of at least 25 kcal./mole in homomorphs of o-di-Z-butylbenzene. The strains in homomorphs of hemimellitene (1-2 kcal.) and o-Z-butyltoluene (4-6 kcal.) are somewhat smaller. In all of these cases it is possible to follow the effect of the strain upon the chemical properties of a wide variety of homomorphic derivatives. The concept of homomorphs permits a useful correlation between the chemical properties of molecules of widely different functions, but of similar sizes and shapes. o
AI technologies are often used to aid people in performing discrete tasks with well-defined goals (e.g., recognising faces in images). Emerging technologies that provide continuous, real-time information enable more open-ended AI experiences. In partnership with a blind child, we explore the challenges and opportunities of designing human-AI interaction for a system intended to support social sensemaking. Adopting a research-through-design perspective, we reflect upon working with the uncertain capabilities of AI systems in the design of this experience. We contribute: (i) a concrete example of an open-ended AI system that enabled a blind child to extend his own capabilities; (ii) an illustration of the delta between imagined and actual use, highlighting how capabilities derive from the human-AI interaction and not the AI system alone; and (iii) a discussion of design choices to craft an ongoing human-AI interaction that addresses the challenge of uncertain outputs of AI systems.
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