The Quantum Chemical Investigation on the Structure-Activity Relationship of a Schiff Base Corrosion Inhibitor

This study investigated the relationship between the molecular structure and the corrosion inhibition efficiency of three corrosion inhibitors for steel in acidic media using the DFT method. First, the molecular conformations of the three compounds were optimized and the populations of charges and frontier orbitals were obtained at the B3LYP/6-311G level. Quantum chemical parameters were also obtained by calculations, including the highest occupied molecular orbital energy (EHOMO), the energy gap (ELUMO−EHOMO), the total energy of the molecule, the dipole moment and the number of electrons transferred (ΔN). The results of the correlation between quantum chemical parameters and inhibition efficiencies demonstrated that the inhibition efficiency of the inhibitors increased with the decrease of ELUMO-EHOMO and the increase of ΔN. The regions with nitrogen and oxygen atoms are the sites most likely to bond with iron atoms by donating electrons

Transcriptome analysis of Rpl11-deficient zebrafish model of Diamond-Blackfan Anemia

AbstractTo comprehensively reflect the roles of Rpl11 on the transcriptome of zebrafish model of Diamond-Blackfan Anemia (DBA), we performed whole-genome transcriptome sequencing on the Illumina Hi-Seq 2000 sequencing platform. Two different transcriptomes of zebrafish Rpl11-deficient and control Morpholino (Mo) embryos were collected and analyzed. The experimental design and methods, including sample preparation, RNA-Seq data evaluation and treatment, were described in details so that representative high-throughput sequencing data were acquired for assessing the actual impacts of Rpl11 on zebrafish embryos. We provided the accession number GSE51326 for easy access to the database

ICDP workshop on scientific drilling of Nam Co on the Tibetan Plateau: 1 million years of paleoenvironmental history, geomicrobiology, tectonics and paleomagnetism derived from sediments of a high-altitude lake

The Tibetan Plateau is of peculiar societal relevance as it provides freshwater from the so-called “Water Tower of Asia” to a large portion of the Asian population. However, future climate change will affect the hydrological cycle in this area. To define parameters for future climate change scenarios it is necessary to improve the knowledge about thresholds, timing, pace and intensity of past climatic changes and associated environmental impacts. Sedimentary archives reaching far back in time and spanning several glacial–interglacial cycles such as Nam Co provide the unique possibility to extract such information. In order to explore the scientific opportunities that an ICDP drilling effort at Nam Co would provide, 40 scientists from 13 countries representing various scientific disciplines met in Beijing from 22 to 24 May 2018. Besides paleoclimatic investigations, opportunities for paleomagnetic, deep biosphere, tectonic and paleobiological studies were discussed. After having explored the technical and logistical challenges and the scientific opportunities all participants agreed on the great value and need to drill this extraordinary archive, which has a sediment thickness of more than 1 km, likely covering more than 1 Ma

Relatório de estágio em farmácia comunitária

Relatório de estágio realizado no âmbito do Mestrado Integrado em Ciências Farmacêuticas, apresentado à Faculdade de Farmácia da Universidade de Coimbr

Already, just scalarity

Thesis: S.M., Massachusetts Institute of Technology, Department of Linguistics and Philosophy, September, 2020Cataloged from student-submitted PDF version of thesis.Includes bibliographical references (pages 36-37).The particles still and already are commonly thought of and analyzed as particles that mirror each other. The particle still has been robustly argued to have an additive presupposition in the same vein as particles like too. However, I argue that a dual semantics for already, as all previous accounts attempt to implement, is untenable, motivated by asymmetries between the two particles. Instead, I propose that already has no additive presupposition but instead an even-style scalar 'likelihood' presupposition enriched with an exhaustivity operator. Such an analysis offers empirical improvements over previous analyses, notably in its ability to directly capture the earlier-than-expected inference conveyed by already.by Hanzhi Zhu.S.M.S.M. Massachusetts Institute of Technology, Department of Linguistics and Philosoph

Medical Image Segmentation Using Fruit Fly Optimization and Density Peaks Clustering

In this paper, we propose a novel algorithm for medical image segmentation, which combines the density peaks clustering (DPC) with the fruit fly optimization algorithm, and it has the following advantages. Firstly, it avoids the problem of DPC that needs to artificially select parameters (such as the number of clusters) in its decision graph and thus can automatically determine their values. Secondly, our algorithm uses random step size, instead of the fixed step size as in the fruit fly optimization algorithm, which helps avoid falling into local optima. Thirdly, our algorithm selects the cut-off distance and the cluster centers using the image entropy value and can better capture the structures of the image. Experiments on benchmark dataset and proprietary dataset show that our algorithm can adaptively segment medical images with faster convergence and better robustness

Construction of amniotic cell line with chromosomal abnormalities and its application in the quality control of chromosome karyotype analysis

The aim of this study was to investigate the application of amniotic fluid cell lines with chromosomal abnormalities in the external quality assessment (EQA) of prenatal karyotype analysis. Simian virus 40 large T antigen (SV40LT) gene was transfected into amniotic fluid cells with 46,XY,t(15;17)(q11;q11) and 46,XY by liposome transfection. Control cell lines were produced by mixing the above two in ratios of 1:19, 1:1 and 9:1, respectively. The cells were then frozen at −30 °C, mailed between laboratories, prepared for chromosome analysis, photographed with karyotype, and evaluated. After the two amniotic fluid cell lines and the control cell lines were serially passaged for 10 generations, they were still spindle-shaped with adherent growth. The 46,XY,t(15;17)(q11;q11) line preserved the original amniotic fluid karyotype, whereas a small number of cells with 46,XY, had changes of chromosomal structure. After mailing between laboratories, the abnormal karyotype was scored to constitute, 10.8%, 54.2% and 81.2% on average in the 1:19, 1:1 and 9:1 samples, respectively. There were significant differences (P 0.05) with respect to the ratio of 50%. Overall, we demonstrated that the SV40LT gene could immortalize amniotic fluid cells with chromosomal abnormalities. The immortalized cells with and without chromosomal abnormalities mixtured in different ratios could then serve as control cells in the EQA of prenatal karyotype analysis