Search results for "screening"

Fragment‐ and Negative Image‐Based Screening of Phosphodiesterase 10A Inhibitors

2019

A novel virtual screening methodology called fragment‐ and negative image‐based (F‐NiB) screening is introduced and tested experimentally using phosphodiesterase 10A (PDE10A) as a case study. Potent PDE10A‐specific small‐molecule inhibitors are actively sought after for their antipsychotic and neuroprotective effects. The F‐NiB combines features from both fragment‐based drug discovery and negative image‐based (NIB) screening methodologies to facilitate rational drug discovery. The selected structural parts of protein‐bound ligand(s) are seamlessly combined with the negative image of the target's ligand‐binding cavity. This cavity‐ and fragment‐based hybrid model, namely its shape and electr…

Newborn hearing screening in Sicily: Lesson learned

2013

BioImageXD: an open, general-purpose and high-throughput image-processing platform

2012

BioImageXD puts open-source computer science tools for three-dimensional visualization and analysis into the hands of all researchers, through a user-friendly graphical interface tuned to the needs of biologists. BioImageXD has no restrictive licenses or undisclosed algorithms and enables publication of precise, reproducible and modifiable workflows. It allows simple construction of processing pipelines and should enable biologists to perform challenging analyses of complex processes. We demonstrate its performance in a study of integrin clustering in response to selected inhibitors.

Toward modernizing the systematic review pipeline in genetics: efficient updating via data mining

2012

Purpose: The aim of this study was to demonstrate that modern data mining tools can be used as one step in reducing the labor necessary to produce and maintain systematic reviews. Methods: We used four continuously updated, manually curated resources that summarize MEDLINE-indexed articles in entire fields using systematic review methods (PDGene, AlzGene, and SzGene for genetic determinants of Parkinson disease, Alzheimer disease, and schizophrenia, respectively; and the Tufts Cost-Effectiveness Analysis (CEA) Registry for cost-effectiveness analyses). In each data set, we trained a classification model on citations screened up until 2009. We then evaluated the ability of the model to class…

Decagram-Scale Synthesis of Multicolor Carbon Nanodots: Self-Tracking Nanoheaters with Inherent and Selective Anticancer Properties

2022

Carbon nanodots (CDs) are a new class of carbon-based nanoparticles endowed with photoluminescence, high specific surface area, and good photothermal conversion, which have spearheaded many breakthroughs in medicine, especially in drug delivery and cancer theranostics. However, the tight control of their structural, optical, and biological properties and the synthesis scale-up have been very difficult so far. Here, we report for the first time an efficient protocol for the one-step synthesis of decagram-scale quantities of N,S-doped CDs with a narrow size distribution, along with a single nanostructure multicolor emission, high near-infrared (NIR) photothermal conversion efficiency, and sel…

Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives

2014

A new series of 3-benzoylamino-5-imidazol-5-yl-benzo[b]thiophenes and the parent amino derivatives were synthesized and screened as antitumor agents. All tested compounds showed concentration-dependent antiproliferative activity profile against HeLa cell line, exhibiting GI50 values in the low micromolar range. The most active compounds were tested in cell cycle perturbation experiments. A rapid accumulation of cells in the G2/M phase, with a concomitant reduction of cells in both the S and G0/G1 phases, was observed, suggesting that cell exposure to selected derivatives produces mitotic failure. To rationalize the biological results, the 3-benzoylamino-benzo[b]thiophenes were analyzed thro…

Test R-W jako trafne narzędzie w badaniach przesiewowych z zakresu psychologii pracy

2018

The R-W test is a tool examining the speed and accuracy of thinking used in labor psychology. It is described as a tool „filled with the intellectual component”, however, there is no validation data in the literature confirming that the R-W test exam some aspect of intellectual abilities. To fill this gap, validation studies were conducted. In the fi rst one, conducted on a group of drivers (N=105), the R-W test relationship with the complex reaction time, attention, as well as the participants level of education were revealed. In study 2 conducted on a group of students (N=150) the relationship between the R-W test and fl uid intelligence, perceptivity and attention, as well as anxiety as …

Double copies of blaKPC-3::Tn4401a on an IncX3 plasmid in Klebsiella pneumoniae successful clone ST512 from Italy

2015

ABSTRACT A carbapenem-resistant sequence type 512 (ST512) Klebsiella pneumoniae carbapenemase 3 (KPC-3)-producing K. pneumoniae strain showing a novel variant plasmid content was isolated in Palermo, Italy, in 2014. ST512 is a worldwide successful clone associated with the spread of bla KPC genes located on the IncFIIk pKpQIL plasmid. In our ST512 strain, the bla KPC-3 gene was unusually located on an IncX3 plasmid, whose complete sequence was determined. Two copies of bla KPC-3 ::Tn 4401a caused by intramolecular transposition events were detected in the plasmid.

Associations of near work time, watching TV, outdoors time, and parents' myopia with myopia among school children based on 38-year-old historical dat…

2021

Purpose To study the prevalence and risk factors of myopia with data from a questionnaire study conducted in 1983 among Finnish school children. Methods School children (n = 4 961) from the 1st, 5th and 8th grades of school (7-, 11- and 15-year-olds) in Central Finland were screened for vision followed by a questionnaire, which was returned by 4 352 (87.7%) participants. Myopia was categorized based on the questionnaire. Items concerned daily time spent on near work and outdoor activities, excluding time spent at school, watching TV and parental myopia and the associations of myopia with these factors were studied. Results The prevalence of myopia was 3%, 15% and 27% among the 7-, 11- and 1…

Revisiting a Previously Validated Temperament Test in Shelter Dogs, Including an Examination of the Use of Fake Model Dogs to Assess Conspecific Soci…

2019

This study assessed the feasibility and reproducibility of a previously validated temperament test (TT) for shelter dogs. The test was developed to measure dog behaviour in the kennel, and traits of sociability towards people and other dogs, docility to leash, playfulness, cognitive skills, and reactivity. We introduced the use of differently sized fake dogs to check their appropriateness in correctly assessing sociability to dogs to broaden its applicability (as the original study used real stimulus dogs). We hypothesised that dogs&rsquo