Discovery of low thermal conductivity compounds with first-principles anharmonic lattice dynamics calculations and Bayesian optimization

Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within a limited exploration space. Here we report the virtual screening of a library containing 54,779 compounds. Our strategy is to search the library through Bayesian optimization using for the initial data the LTC obtained from first-principles anharmonic lattice dynamics calculations for a set of 101 compounds. We discovered 221 materials with very low LTC. Two of them have even an electronic band gap < 1 eV, what makes them exceptional candidates for thermoelectric applications. In addition to those newly discovered thermoelectric materials, the present strategy is believed to be powerful for many other applications in which chemistry of materials are required to be optimized.Comment: 6 pages, 4 figure

Space-Efficient Gradual Typing in Coercion-Passing Style

Herman et al. pointed out that the insertion of run-time checks into a gradually typed program could hamper tail-call optimization and, as a result, worsen the space complexity of the program. To address the problem, they proposed a space-efficient coercion calculus, which was subsequently improved by Siek et al. The semantics of these calculi involves eager composition of run-time checks expressed by coercions to prevent the size of a term from growing. However, it relies also on a nonstandard reduction rule, which does not seem easy to implement. In fact, no compiler implementation of gradually typed languages fully supports the space-efficient semantics faithfully. In this paper, we study coercion-passing style, which Herman et al. have already mentioned, as a technique for straightforward space-efficient implementation of gradually typed languages. A program in coercion-passing style passes "the rest of the run-time checks" around - just like continuation-passing style (CPS), in which "the rest of the computation" is passed around - and (unlike CPS) composes coercions eagerly. We give a formal coercion-passing translation from ?S by Siek et al. to ?S?, which is a new calculus of first-class coercions tailored for coercion-passing style, and prove correctness of the translation. We also implement our coercion-passing style transformation for the Grift compiler developed by Kuhlenschmidt et al. An experimental result shows stack overflow can be prevented properly at the cost of up to 3 times slower execution for most partially typed practical programs

Dissimilarity of Species and Forms of Planktonic Neocalanus Copepods Using Mitochondrial COI, 12S, Nuclear ITS, and 28S Gene Sequences

Background: A total of six Neocalanus species inhabit the oceans of the world. Of these, three species plus form variants (N. cristatus, N. plumchrus, N. flemingeri large form, and N. flemingeri small form), which constitute a monophyletic group among Neocalanus copepods, occur in the Northwestern Pacific off Japan. In the present study, we have tried to discriminate the three species plus form variants of Neocalanus copepods based on sequences of four DNA marker regions. Methodology/Principal Findings: Discrimination was performed based on the DNA sequence information from four genetic markers, including the mitochondrial COI, 12S, nuclear ITS, and 28S gene regions. Sequence dissimilarity was compared using both distance- and character-based approaches. As a result, all three species were confirmed to be distinct based on the four genetic marker regions. On the contrary, distinction of the form variants was only confirmed based on DNA sequence of the mitochondrial COI gene region. Conclusions/Significance: Although discrimination was not successful for the form variants based on the mitochondrial 12S, nuclear ITS, and 28S genes, diagnostic nucleotide sequence characters were observed in their mitochondrial COI gene sequences. Therefore, these form variants are considered to be an important unit of evolution below the species level, an

An ultradiscrete integrable map arising from a pair of tropical elliptic pencils

We present a tropical geometric description of a piecewise linear map whose invariant curve is a concave polygon. In contrast to convex polygons, a concave one is not directly related to tropical geometry; nevertheless the description is given in terms of the addition formula of a tropical elliptic curve. We show that the map is arising from a pair of tropical elliptic pencils each member of which is the invariant curve of the ultradiscrete QRT map.Comment: 14 pages, 4 figure

Gradual session types

Session types are a rich type discipline, based on linear types, that lifts the sort of safety claims that come with type systems to communications. However, web-based applications and microservices are often written in a mix of languages, with type disciplines in a spectrum between static and dynamic typing. Gradual session types address this mixed setting by providing a framework which grants seamless transition between statically typed handling of sessions and any required degree of dynamic typing. We propose Gradual GV as a gradually typed extension of the functional session type system GV. Following a standard framework of gradual typing, Gradual GV consists of an external language, which relaxes the type system of GV using dynamic types, and an internal language with casts, for which operational semantics is given, and a cast-insertion translation from the former to the latter. We demonstrate type and communication safety as well as blame safety, thus extending previous results to functional languages with session-based communication. The interplay of linearity and dynamic types requires a novel approach to specifying the dynamics of the language.Comment: Preprint of an article to appear in Journal of Functional Programmin

p59fyn is associated with the development of hepatic steatosis due to chronic ethanol consumption

p59fyn, a protein tyrosine kinase belonging to the src-family, is involved in the regulatory mechanism of acute response to ethanol in the central nervous system. A previous report showed an association between src-family kinase activity and fatty acid oxidation, and it also reported that hepatic free fatty acid levels were low in Fyn−/− mice. We examined, using Fyn−/− mice whether Fyn is also involved in fatty acid metabolism and the development of pathological changes in the liver in response to chronic ethanol consumption. C57BL/6J Fyn−/− and Fyn+/+ mice were fed for 8 weeks with either a liquid diet comprising ethanol or one in which the calories from ethanol were replaced with carbohydrates. Chronic ethanol consumption for 8 weeks resulted in remarkable hepatic steatosis in Fyn+/+ mice but not in Fyn−/− mice. Chronic ethanol consumption induced a significant decrease in hepatic FFA and triglyceride levels in Fyn−/− mice. Levels of interleukin-6, which is associated with the enhancement of fatty acid oxidation, was also increased significantly in the livers of ethanol-fed Fyn−/− mice. The results suggest that Fyn is involved in the enhancement of fatty acid oxidation and the development of hepatic steatosis caused by chronic ethanol consumption

Low-Frequency Electroacupuncture Improves Insulin Sensitivity in Obese Diabetic Mice through Activation of SIRT1/PGC-1α in Skeletal Muscle

Electroacupuncture (EA) has been observed to reduce insulin resistance in obesity and diabetes. However, the biochemical mechanism underlying this effect remains unclear. This study investigated the effects of low-frequency EA on metabolic action in genetically obese and type 2 diabetic db/db mice. Nine-week-old db/m and db/db mice were randomly divided into four groups, namely, db/m, db/m + EA, db/db, and db/db + EA. db/m + EA and db/db + EA mice received 3-Hz electroacupuncture five times weekly for eight consecutive weeks. In db/db mice, EA tempered the increase in fasting blood glucose, food intake, and body mass and maintained insulin levels. In EA-treated db/db mice, improved insulin sensitivity was established through intraperitoneal insulin tolerance test. EA was likewise observed to decrease free fatty acid levels in db/db mice; it increased protein expression in skeletal muscle Sirtuin 1 (SIRT1) and induced gene expression of peroxisome proliferator-activated receptor γ coactivator 1α (PGC-1α), nuclear respiratory factor 1 (NRF1), and acyl-CoA oxidase (ACOX). These results indicated that EA offers a beneficial effect on insulin resistance in obese and diabetic db/db mice, at least partly, via stimulation of SIRT1/PGC-1α, thus resulting in improved insulin signal