Search results for " recognition"
showing 10 items of 3220 documents
On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure a…
2005
The specific interaction of a variety of modified hevein domains to chitooligosaccharides has been studied by NMR spectroscopy in order to assess the importance of aromatic-carbohydrate interactions for the molecular recognition of neutral sugars. These mutant AcAMP2-like peptides, which have 4-fluoro-phenylalanine, tryptophan, or 2-naphthylalanine at the key interacting positions, have been prepared by solid-phase synthesis. Their three-dimensional structures, when bound to the chitin-derived trisaccharide, have been deduced by NMR spectroscopy. By using DYANA and restrained molecular dynamics simulations with the AMBER 5.0 force field, the three-dimensional structures of the protein-sugar…
Poly(2-vinylpyridine)-Based Polymers as an Efficient Affinity Material for the Detection of Airborne Phenol
2015
Phenol is an omnipresent compound in various situations. Its acute toxicity makes alternative tracing methods desirable. Highly potent affinity materials based on polyvinyl pyridine allow an efficient tracing of this particular airborne compound. Their performance over, for example, benzene is tremendously superior. In combination with a simple cyclodextrin derivative an array allows differentiation among such aromatic competitors. Owing to the high affinity of these polymers for phenol, quartz microbalance-based tracing is able to detect phenol below the parts per million range. This was previously not possible with other affinity materials.
Selective recognition of aromatic hydrocarbons by endo-functionalized molecular tubes via C/N-H⋅⋅⋅π interactions
2018
Abstract Molecular recognition of aromatic hydrocarbons by four endo -functionalized molecular tubes has been studied by 1 H NMR spectroscopy, computational methods, and single crystal X-ray crystallography. The binding selectivity is rationalized by invoking shape complementarity and dipole alignment. The non-covalent interactions are proved to predominantly be C/N-H⋅⋅⋅ π interactions.
Toward an understanding of the acceleration of Diels-Alder reactions by a pseudo-intramolecular process achieved by molecular recognition. A DFT stud…
2007
The pseudo-intramolecular Diels−Alder (DA) reaction between a 2-substituted furan (1) and a N-maleimide derivative (2) has been analyzed using DFT methods. Formation of two hydrogen bonds between the appendages on furan and maleimide derivatives favors thermodynamically the formation of a molecular complex (MC1) through an efficient molecular recognition process. The large enthalpy stabilization associated with the molecular recognition overcomes the unfavorable activation entropy associated with the bimolecular process. As a consequence, the subsequent DA reaction is clearly accelerated through a pseudo-intramolecular process.
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…
Age, gender, and puberty influence the development of facial emotion recognition
2015
Our ability to differentiate between simple facial expressions of emotion develops between infancy and early adulthood, yet few studies have explored the developmental trajectory of emotion recognition using a single methodology across a wide age-range. We investigated the development of emotion recognition abilities through childhood and adolescence, testing the hypothesis that children’s ability to recognise simple emotions is modulated by chronological age, pubertal stage and gender. In order to establish norms, we assessed 478 children aged 6-16 years, using the Ekman-Friesen Pictures of Facial Affect. We then modelled these cross-sectional data in terms of competence in accurate recogn…
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…
How Literacy Shapes Orthographic Processing
2022
La lectura es una habilidad indispensable en nuestra sociedad. Sin ella, no podríamos acceder a la historia, o aprender de nuestros avances y retrocesos. Resulta casi milagroso que el Homo sapiens hiciera unas marcas en una piedra para aumentar drásticamente su capacidad de memoria. Estas marcas en la piedra, que serían lo que ahora llamamos letras, se convirtieron en herramientas. Herramientas que alteran la maquinaria cerebral para conectar las formas visuales con un significado, es decir, para sustentar la lectura. Hoy en día, la lectura es parte de nuestra vida cotidiana hasta tal punto que no nos damos cuenta de su complejidad. Cuando leemos, nuestros ojos saltan de palabra a palabra, …
A Non-Local Mode-I Cohesive Model for Ascending Thoracic Aorta Dissections (ATAD)
2018
This paper presents a non-local interface mechanical model to describe aortic dissection. In this regard, the mode-I debonding problem based on a cohesive zone modeling is endowed with non-local terms to include long-range interactions that are present in multi-layered biological tissue. Such non-local effects are related to the collagen fibers that transmit forces between non-adjacent elements. Numerical simulations are provided with different values of the non-local parameters in order to show the effect of the non-locality during the debonding processes.