QuTIE: Quantum optimization for Target Identification by Enzymes

Target Identification by Enzymes (TIE) problem aims to identify the set of enzymes in a given metabolic network, such that their inhibition eliminates a given set of target compounds associated with a disease while incurring minimum damage to the rest of the compounds. This is an NP-complete problem, and thus optimal solutions using classical computers fail to scale to large metabolic networks. In this paper, we consider the TIE problem for identifying drug targets in metabolic networks. We develop the first quantum optimization solution, called QuTIE (Quantum optimization for Target Identification by Enzymes), to this NP-complete problem. We do that by developing an equivalent formulation of the TIE problem in Quadratic Unconstrained Binary Optimization (QUBO) form, then mapping it to a logical graph, which is then embedded on a hardware graph on a quantum computer. Our experimental results on 27 metabolic networks from Escherichia coli, Homo sapiens, and Mus musculus show that QuTIE yields solutions which are optimal or almost optimal. Our experiments also demonstrate that QuTIE can successfully identify enzyme targets already verified in wet-lab experiments for 14 major disease classes

Postdeposition annealing on RF-sputtered SrTiO3 thin films

Understanding of structural, optical, and electrical properties of thin films are very important for a reliable device performance. In the present work, the effect of postdeposition annealing on stoichiometric SrTiO3 (STO) thin films grown by radio frequency magnetron sputtering at room temperature on p-type Si (100) and quartz substrates were studied. Highly transparent and well adhered thin films were obtained in visible and near infrared regions. As-deposited films were amorphous, while nanocrystalline and polycrystalline phases of the STO thin films formed as a function of annealing temperature. Films annealed at 300 �C showed nanocrystallinity with some amorphous phase. Crystallization started after 15 min annealing at 700 �C, and further improved for films annealed at 800 �C. However, crystallinity reduced for films which were annealed at 900 �C. The optical and electrical properties of STO thin films affected by postdeposition annealing at 800 �C: Eg values decreased from 4.50 to 4.18 eV, n(λ) values (at 550 nm) increased from 1.81 to 2.16. The surface roughness increased with the annealing temperature due to the increased crystallite size, densification and following void formation which can be seen from the scanning electron microscopy images. The highest dielectric constants (46 at 100 kHz) observed for films annealed at 800 �C; however, it was lower for 300 �C annealed (25 at 100 kHz) and as-deposited (7 at 100 kHz) STO films having ∼80 nm thickness. � 2017 American Vacuum Society

Classification and feature selection algorithms for multi-class CGH data

Recurrent chromosomal alterations provide cytological and molecular positions for the diagnosis and prognosis of cancer. Comparative genomic hybridization (CGH) has been useful in understanding these alterations in cancerous cells. CGH datasets consist of samples that are represented by large dimensional arrays of intervals. Each sample consists of long runs of intervals with losses and gains

Questions in Science textbooks: development and validation of a checklist

Questões são enunciadas que requerem uma resposta refletida e que desempenham diversas funções educativas, incluindo o despoletar novas aprendizagens. Neste caso, o seu uso enquadra-se na Aprendizagem Baseada na Resolução de Problemas (ABRP, do inglês, Problem-Based Learning, PBL), que coloca o aluno no centro dos processos de ensino e aprendizagem, atribuindo-lhe um papel ativo na aprendizagem de novo conhecimento. Atendendo à influência que os manuais exercem nas práticas de ensino, a questão que se coloca é a de saber em que medida as questões incluídas nos manuais escolares de Ciências podem fomentar um ensino orientado para a ABRP. Neste texto, descrever-se-á o processo de construção e validação de uma grelha de análise de questões incluídas em manuais escolares de Ciências com essa finalidade, apresentando-se não só essa grelha, mas também, a título ilustrativo, uma aplicação da mesma a um tópico de Ciências, 8º ano, abordado nas duas disciplinas desta área.Questions require a thoughtful answer and can play diverse educational roles, such as stimulating the learning of new knowledge, as is the case in Problem-Based Learning (PBL) contexts. In this context, the student is placed at the center of the teaching and learning processes and plays an active role in the learning of new knowledge. Bearing in mind the influence that textbooks exert on teaching practices, it is worthwhile questioning to which extent questions included in school science textbooks promote a PBL oriented teaching approach. This paper describes the development and validation of a checklist for analyzing the questions included in science textbooks. After introducing the checklist, an example of its application to a science unit assigned to two junior high school science courses (8th grade) is given, approaching the two disciplines in the area

The experience of being a Filipino seafarer on a multinationally crewed ship

The globalised labour market for seafarers has led to multinationally crewed vessels. According to a study conducted by Seafarers International Research Centre in 2003, about 60% of ships have multinational crews (Ellis and Sampson 2003). A more recent study showed that 85% of vessels that call in ports in Finland have multinational crew mix and that two and three nationalities are the most prevalent crewing pattern (Storgård et al. 2013). The Philippines, is one of the world’s biggest source of seafarers, as such it is worth considering the lived experiences of Filipino seafarers on multinationally crewed vessels