30 results match your criteria: "Center of Modeling[Affiliation]"

Background: NT-proBNP levels with a wide range at admission play both a diagnostic and a prognostic role in patients with HF. The differences regarding the clinical profiles and demography in decompensated HF patients according to NT-proBNP levels at admission are not clear.

Methods: This study aimed to analyze and compare clinical profiles and demographics in patients hospitalized for decompensated heart failure according to levels of NT-proBNP at admission.

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To suppress HepG2 liver cancer cells, a nanocarrier (NC) consisting of FeO, Gelatin (G), and Starch (S) was synthesized and characterized for targeted delivery of Quercetin (QC) drug. The spectra obtained from X-ray diffraction (XRD) and Fourier transform infrared (FTIR) demonstrated that the nanoparticles (NP) in the NC are well-interconnected to each other and have formed a regular structure. Also, field emission scanning electron microscopy (FE-SEM) indicates a smooth and homogeneous surface of the synthesized NC.

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Plant pathogens cause billions of dollars of crop loss every year and are a major threat to global food security. Identifying and characterizing pathogens effectors is crucial towards their improved control. Because of their poor sequence conservation, effector identification is challenging, and current methods generate too many candidates without indication for prioritizing experimental studies.

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Objective: Classification tasks are an open challenge in the field of biomedicine. While several machine-learning techniques exist to accomplish this objective, several peculiarities associated with biomedical data, especially when it comes to omics measurements, prevent their use or good performance achievements. Omics approaches aim to understand a complex biological system through systematic analysis of its content at the molecular level.

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Using long-read sequencing, we assembled and unzipped the polyploid genomes of Meloidogyne incognita, M. javanica and M. arenaria, three of the most devastating plant-parasitic nematodes.

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Novel targeted delivery of quercetin for human hepatocellular carcinoma using starch/polyvinyl alcohol nanocarriers based hydrogel containing FeO nanoparticles.

Int J Biol Macromol

February 2024

Department of Applied Chemistry, Faculty of Science, South Tehran Branch, Islamic Azad University, Tehran, Iran; Research Center of Modeling and Optimization in Science and Engineering, South Tehran Branch, Islamic Azad University, Tehran, Iran.

The common adverse effects of chemotherapy are the reason for the use of effective, natural drugs and targeted administration to specific areas. On the one hand, Quercetin (QC) has positive effects as a natural anticancer agent. On the other hand, FeO, as nanoparticles (NP) with clinical properties and high porosity, can be a suitable carrier for drug loading and controlled release.

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Aim: This study aimed to compare the elemental composition of traditional and flavored hookah tobacco, with a focus on heavy metals.

Methods: We used inductively coupled plasma mass spectrometry (ICP-MS) to analyze the concentrations of 29 elements in the raw tobacco, tobacco ash, hookah water after smoking, and tobacco smoke.

Results: The results showed that the traditional tobacco had significantly higher metal concentrations than the flavored tobacco in all samples.

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Computational modeling of protein-DNA complex structures has important implications in biomedical applications such as structure-based, computer aided drug design. A key step in developing methods for accurate modeling of protein-DNA complexes is similarity assessment between models and their reference complex structures. Existing methods primarily rely on distance-based metrics and generally do not consider important functional features of the complexes, such as interface hydrogen bonds that are critical to specific protein-DNA interactions.

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In this project, we have synthesized and used a molecular imprinted polymer (MIP) for adsorption of oxycodone residue from the biological samples. Indeed, this study aims to develop a suitable method for determination of oxycodone drug residue in the human plasma using the common analysis methods. Therefore, the MIP was used for the solid phase extraction (MIP-SPE) approach in order to collect the oxycodone opioid and to concentrate it in the blood plasma samples.

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Article Synopsis
  • Advances in omics technologies are enhancing the diagnosis of rare diseases by developing methods to identify responsible genes, particularly using transcriptomic data for detecting aberrant gene expression (AGE).
  • ABEILLE is a new method that uses variational autoencoders and decision trees to identify AGEs in RNA-seq data without needing replicates or control groups, focusing on flexibility and severity of aberrations.
  • The source code for ABEILLE is available for free on GitHub, alongside supplementary data for further insights.
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Article Synopsis
  • Environmental pollution and the presence of the TP53 p.R337H variant are key factors in cancer risk in Paraná, Brazil.
  • A study assessed breast cancer risk in rural and industrialized areas, finding that C2 had lower organochloride levels and cancer risks compared to C1 and C3.
  • Among women over 30, TP53 p.R337H carriers had 4.58 times higher breast cancer risk, with lower prevalence and mortality rates observed in C2 than in the other subregions.
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Non-invasive prenatal testing (NIPT) screens for common fetal chromosomal abnormalities through analysis of circulating cell-free DNA in maternal blood by massive parallel sequencing. NIPT reliability relies on both the estimation of the fetal fraction (ff) and on the sequencing depth (sd) but how these parameters are linked is unknown. Several bioinformatics tools have been developed to determine the ff but there is no universal ff threshold applicable across diagnostics laboratories.

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Hydrogen bonds play important roles in protein folding and protein-ligand interactions, particularly in specific protein-DNA recognition. However, the distributions of hydrogen bonds, especially hydrogen bond energy (HBE) in different types of protein-ligand complexes, is unknown. Here we performed a comparative analysis of hydrogen bonds among three non-redundant datasets of protein-protein, protein-peptide, and protein-DNA complexes.

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Cardiac dyspnea risk zones in the South of France identified by geo-pollution trends study.

Sci Rep

February 2022

Center of Modeling, Simulation and Interactions, Université Côte d'Azur, 151 Route de Saint Antoine de Ginestiere, 06200, Nice, France.

The incidence of cardiac dyspnea (CD) and the distribution of pollution in the south of France suggests that environmental pollution may have a role in disease triggering. CD is a hallmark symptom of heart failure leading to reduced ability to function and engage in activities of daily living. To show the impact of short-term pollution exposure on the increment of CD emergency room visits, we collected pollutants and climate measurements on a daily basis and 43,400 events of CD in the Région Sud from 2013 to 2018.

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Rare diseases (RDs) concern a broad range of disorders and can result from various origins. For a long time, the scientific community was unaware of RDs. Impressive progress has already been made for certain RDs; however, due to the lack of sufficient knowledge, many patients are not diagnosed.

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Brain is an actuator for control and coordination. When a pathology arises in cranium, it may leave a degenerative, disfiguring and destabilizing impact on brain physiology. However, the leading consequences of the same may vary from case to case.

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Noninvasive prenatal testing (NIPT) consists of determining fetal aneuploidies by quantifying copy number alteration from the sequencing of cell-free DNA (cfDNA) from maternal blood. Due to the presence of cfDNA of fetal origin in maternal blood, in silico approaches have been developed to accurately predict fetal aneuploidies. Although NIPT is becoming a new standard in prenatal screening of chromosomal abnormalities, there are no integrated pipelines available to allow rapid, accurate and standardized data analysis in any clinical setting.

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Mitochondrial diseases (MD) are rare disorders caused by deficiency of the mitochondrial respiratory chain, which provides energy in each cell. They are characterized by a high clinical and genetic heterogeneity and in most patients, the responsible gene is unknown. Diagnosis is based on the identification of the causative gene that allows genetic counseling, prenatal diagnosis, understanding of pathological mechanisms, and personalized therapeutic approaches.

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Coral reefs are highly diverse marine ecosystems increasingly threatened on a global scale. The foundation species of reef ecosystems are stony corals that depend on their symbiotic microalgae and bacteria for aspects of their metabolism, immunity, and environmental adaptation. Conversely, the function of viruses in coral biology is less well understood, and we are missing an understanding of the diversity and function of coral viruses, particularly in understudied regions such as the Red Sea.

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Background And Aim: Cirrhosis is a major public health problem worldwide. The prevalence of cirrhosis is various in different geographical regions. The aim of the present study was to determine the distribution of the etiologies of cirrhosis and their proportional changes through recent 11 years in Iran.

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Bacterial symbionts are integral to the health and homeostasis of invertebrate hosts. Notably, members of the Rickettsiales genus Wolbachia influence several aspects of the fitness and evolution of their terrestrial hosts, but few analogous partnerships have been found in marine systems. We report here the genome, phylogenetics, and biogeography of a ubiquitous and novel Rickettsiales species that primarily associates with marine organisms.

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