Search results for "INFORMATICS"
showing 10 items of 2542 documents
MPP1 links the Usher protein network and the Crumbs protein complex in the retina.
2007
Contains fulltext : 53571.pdf (Publisher’s version ) (Closed access) The highly ordered distribution of neurons is an essential feature of a functional mammalian retina. Disruptions in the apico-basal polarity complexes at the outer limiting membrane (OLM) of the retina are associated with retinal patterning defects in vertebrates. We have analyzed the binding repertoire of MPP5/Pals1, a key member of the apico-basal Crumbs polarity complex, that has functionally conserved counterparts in zebrafish (nagie oko) and Drosophila (Stardust). We show that MPP5 interacts with its MAGUK family member MPP1/p55 at the OLM. Mechanistically, this interaction involves heterodimerization of both MAGUK mo…
“ One Ring to Bind Them All ”—Part I: The Efficiency of the Macrocyclic Scaffold for G-Quadruplex DNA Recognition
2010
International audience; Macrocyclic scaffolds are particularly attractive for designing selective G-quadruplex ligands essentially because, on one hand, they show a poor affinity for the "standard" B-DNA conformation and, on the other hand, they fit nicely with the external G-quartets of quadruplexes. Stimulated by the pioneering studies on the cationic porphyrin TMPyP4 and the natural product telomestatin, follow-up studies have developed, rapidly leading to a large diversity of macrocyclic structures with remarkable-quadruplex binding properties and biological activities. In this review we summarize the current state of the art in detailing the three main categories of quadruplex-binding …
Curcumin as Scaffold for Drug Discovery against Neurodegenerative Diseases
2021
Neurodegenerative diseases (NDs) are one of major public health problems and their impact is continuously growing. Curcumin has been proposed for the treatment of several of these pathologies, such as Alzheimer’s disease (AD) and Parkinson’s disease (PD) due to the ability of this molecule to reduce inflammation and aggregation of involved proteins. Nevertheless, the poor metabolic stability and bioavailability of curcumin reduce the possibilities of its practical use. For these reasons, many curcumin derivatives were synthetized in order to overcome some limitations. In this review will be highlighted recent results on modification of curcumin scaffold in the search of new effective therap…
Novel scaffold of natural compound eliciting sweet taste revealed by machine learning
2020
Abstract Sugar replacement is still an active issue in the food industry. The use of structure-taste relationships remains one of the most rational strategy to expand the chemical space associated to sweet taste. A new machine learning model has been setup based on an update of the SweetenersDB and on open-source molecular features. It has been implemented on a freely accessible webserver. Cellular functional assays show that the sweet taste receptor is activated in vitro by a new scaffold of natural compounds identified by the in silico protocol. The newly identified sweetener belongs to the lignan chemical family and opens a new chemical space to explore.
Large-scale genome-wide association studies on a GPU cluster using a CUDA-accelerated PGAS programming model
2015
[Abstract] Detecting epistasis, such as 2-SNP interactions, in genome-wide association studies (GWAS) is an important but time consuming operation. Consequently, GPUs have already been used to accelerate these studies, reducing the runtime for moderately-sized datasets to less than 1 hour. However, single-GPU approaches cannot perform large-scale GWAS in reasonable time. In this work we present multiEpistSearch, a tool to detect epistasis that works on GPU clusters. While CUDA is used for parallelization within each GPU, the workload distribution among GPUs is performed with Unified Parallel C++ (UPC++), a novel extension of C++ that follows the Partitioned Global Address Space (PGAS) model…
Combining hashing and enciphering algorithms for epidemiological analysis of gathered data.
2008
Summary Objectives: Compiling individual records coming from different sources is necessary for multi-center studies. Legal aspects can be satisfied by implementing anonymization procedures. When using these procedures with a different key for each study it becomes almost impossible to link records from separate data collections. Methods: The originality of the method relies on the way the combination of hashing and enciphering techniques is performed: like in asymmetric encryption, two keys are used but the private key depends on the patient’s identity. Results: The combination of hashing and enciphering techniques provides a great improvement in the overall security of the proposed scheme…
On Obtaining Classification Confidence, Ranked Predictions and AUC with Tsetlin Machines
2020
Tsetlin machines (TMs) are a promising approach to machine learning that uses Tsetlin Automata to produce patterns in propositional logic, leading to binary (hard) classifications. In many applications, however, one needs to know the confidence of classifications, e.g. to facilitate risk management. In this paper, we propose a novel scheme for measuring TM confidence based on the logistic function, calculated from the propositional logic patterns that match the input. We then use this scheme to trade off precision against recall, producing area under receiver operating characteristic curves (AUC) for TMs. Empirically, using four real-world datasets, we show that AUC is a more sensitive meas…
Survey data on the consequences of COVID-19 and home confinement on the educational community and families in Spain
2021
[EN] This paper presents a dataset concerning the consequences of the COVID-19 pandemic and home confinement on the educational community and families, and the possibilities and opportunities for the return to schools. Data were collected through an online based cross-sectional survey between June 29, 2020 and July 12, 2020 in Spain. A total of 7,305 people who had children in their care during the COVID-19 crisis and the home-confinement period responded to the survey. The survey contained items concerning (i) socio-demographic information, (ii) conciliation of work, personal and family life during confinement, (iii) the impact of the pandemic on the respondent's family, and (iv) the respo…
Dataset of trace elements concentrations in snow samples collected in Jelgava City (Latvia) in December 2020
2021
Abstract The data set provided in this article consist of two repeated data sets of chemical elements concentrations in snow samples. The snow samples were collected in Jelgava city at December 15th with 5 day exposition time. Snow samples were collected in 59 monitoring points in Jelgava city and in one sample in rural area monitoring point as control. The collected snow samples were melted, acidified with HNO3 and analysed with ICP-MS. The samples were analysed Aluminium (Al), Silicon (Si), Chrome (Cr), Manganese (Mn), Iron (Fe), Nickel (Ni), Copper (Cu), Zinc (Zn), Arsenic (As), Molybdenum (Mo), Cadmium (Cd), Barium (Ba), Tungsten (W), Lead (Pb). The collected data are with fundamental s…
Data on physical and chemical characterization of wood combustion products derived at cogeneration power plants
2021
The data presented in this article are related to the research paper “Granulation of fly ash and biochar with organic lake sediments – A way to sustainable utilization of waste from bioenergy production” [1] in the context of waste material investigation and possible valorization instead of disposal. This article provides a comprehensive chemical and physical characterization of wood combustion products – fly ashes, bottom ashes, mixed ashes and biochar. Multiple analytical techniques and methodology were exploited to investigate the composition of wood combustion products, among them a loss on ignition, potentiometry, colorimetry, X-ray diffractometry, X-ray fluorescence spectrometry, indu…