Search results for " Computer"
showing 10 items of 6910 documents
Theoretical studies on cycloaddition reactions
2014
Cycloaddition reactions represent one of the most powerful processes in organic chemistry. The most common types of cycloaddition reactions are the Diels-Alder (DA) and the 1,3-dipolar cycloaddition reactions (1,3-DCs) which lead to five and six membered rings, respectively. In our ongoing efforts to contribute to the understanding of DA and 1,3-DCs; we studied the following using the B3LYP/6-31G(d) level of theory: 1. The 1,3-DCs of the pyridinium-3-olates and pyrazinium-3-olates with methyl acrylate and methyl methacrylate [1,2]. 2. The competitive hetero-DA and 1,3-DCs of methyl glyoxylate oxime and its tautomeric nitrone with cyclopentadiene in the absence and in the presence of BF3 as …
A Solution to the Problem of the Maximal Number of Symbols for Biomolecular Computer
2019
The authors present a solution to the problem of generating the maximum possible number of symbols for a biomolecular computer using restriction enzyme BbvI and ligase as the hardware, and transition molecules built of double-stranded DNA as the software. The presented solution offers an answer to the open question, in the algorithm form, of the maximal number of symbols for a biomolecular computer that makes use of the restriction enzyme BbvI.
Dicopper(II) Metallacyclophanes as Multifunctional Magnetic Devices: A Joint Experimental and Computational Study
2015
Metallosupramolecular complexes constitute an important advance in the emerging fields of molecular spintronics and quantum computation and a useful platform in the development of active components of spintronic circuits and quantum computers for applications in information processing and storage. The external control of chemical reactivity (electro- and photochemical) and physical properties (electronic and magnetic) in metallosupramolecular complexes is a current challenge in supramolecular coordination chemistry, which lies at the interface of several other supramolecular disciplines, including electro-, photo-, and magnetochemistry. The specific control of current flow or spin delocaliz…
A fast algorithm for the exhaustive analysis of 12-nucleotide-long DNA sequences. Applications to human genomics
2004
We have developed a new algorithm that allows the exhaustive determination of words of up to 12 nucleotides in DNA sequences. It is fast enough as to be used at a genomic scale running on a standard personal computer. As an example, we apply the algorithm to compare the number of all 12-nucleotide long words in human chromosomes 21 and 22, each of them more than 33 million nucleotides long. Sequences that are chromosome specific are detected in less than 2 minutes, being analyzed any pair of chromosomes at a rate of 45 millions of nucleotides (45 Mb) per minute. The size of the words is long enough as to allow further analyses of all significant sequences using conventional database searche…
Molecular magnetism, quo vadis? A historical perspective from a coordination chemist viewpoint☆
2017
Abstract Molecular magnetism has travelled a long way from the pioneering studies on electron exchange and double exchange or spin crossover and valence tautomerism in small oligonuclear complexes, from mono- to di- and tetranuclear species, to the current investigations about magnetic anisotropy and spin dynamics or quantum coherence of simple mono- or large polynuclear complexes, behaving as switchable bistable molecular nanomagnets for potential applications in information data storage and processing. In this review, we focus on the origin and development of the research in the field of molecular magnetism from a coordination chemistry viewpoint, which dates back to the establishment of …
Impact of Wavelet Kernels on Predictive Capability of Radiomic Features: A Case Study on COVID-19 Chest X-ray Images
2023
Radiomic analysis allows for the detection of imaging biomarkers supporting decision-making processes in clinical environments, from diagnosis to prognosis. Frequently, the original set of radiomic features is augmented by considering high-level features, such as wavelet transforms. However, several wavelets families (so called kernels) are able to generate different multi-resolution representations of the original image, and which of them produces more salient images is not yet clear. In this study, an in-depth analysis is performed by comparing different wavelet kernels and by evaluating their impact on predictive capabilities of radiomic models. A dataset composed of 1589 chest X-ray ima…
Design of a customized pattern for improving color constancy across camera and illumination changes
2010
International audience; This paper adresses the problem of color constancy on a large image database acquired with varying digital cameras and lighting conditions. Automatic white balance control proposed by an available commercial camera is not sufficient to provide reproducible color classification. A device-independent color representation may be obtained by applying a chromatic adaptation transform, from a calibrated color checker pattern included in the field of view. Instead of using the standard Macbeth color checker, we suggest to select judicious colors to design a customized pattern from contextual information. A comparative study demonstrates that this approach insures a stronger…
Identification des espèces d'arbres à partir de données T-LiDAR Tree species identification using T-LiDAR data
2013
National audience; En raison de l'utilisation croissante des scanners LiDAR terrestre (T-LiDAR) dans le domaine forestier, le développement d'outils logiciels pour la mesure automatique d'attributs d'inventaire forestier est devenu un domaine de recherche important. De nombreux travaux portant sur la localisation des arbres dans un nuage de points, la mesure du diamètre à hauteur de poitrine (DHP) ou la mesure de la hauteur des arbres ont été décrits dans la littérature. Cependant, le problème de l'identification des espèces d'arbres à partir de données T-LiDAR a été peu abordé. La plupart des travaux utilisent des données LiDAR aéroportées et les espèces des arbres sont déterminées à l'éch…
Síntomas, signos y estadística: Aplicaciones de la estadística en ciencias de la salud y de la vida
2014
La determinación o constatación experimental de los mecanismos fisiológicos de las enfermedades suele ser una tarea muy compleja. Esto ha convertido a la epidemiología en la principal herramienta de generación de conocimiento en el ámbito médico. La epidemiología aprende sobre las enfermedades a partir de la observación de la salud en colectivos de personas, en lugar de la observación individual de éstas. Si la principal herramienta de generación de conocimiento médico se basa en la observación de colectivos de personas (muestras de una población) de las que querremos aprender (hacer inferencia), resulta claro el nexo entre la estadística y la medicina. A lo largo de este artículo ilustramo…
Creative interpretation in web design experience
2017
Insight into how people mentally represent, and thus, make sense of visual designs is the key to understanding how people interact with technological devices. This paper presents a study in which participants were asked to write their interpretations of two webpage design examples, based on what they thought they would say and what would remain as a thought. The data comprised 80 3E templates (N = 40), a template allowing participants to express experiences through writing and drawing. Inductive data analysis through a phenomenological lens revealed that supposed mental and verbal representations concentrated on the following design properties: colors, themes, interface layout and quality, …