Search results for "Theory"
showing 10 items of 24627 documents
Full-automatic computer aided system for stem cell clustering using content-based microscopic image analysis
2017
Abstract Stem cells are very original cells that can differentiate into other cells, tissues and organs, which play a very important role in biomedical treatments. Because of the importance of stem cells, in this paper we propose a full-automatic computer aided clustering system to assist scientists to explore potential co-occurrence relations between the cell differentiation and their morphological information in phenotype. In this proposed system, a multi-stage Content-based Microscopic Image Analysis (CBMIA) framework is applied, including image segmentation, feature extraction, feature selection, feature fusion and clustering techniques. First, an Improved Supervised Normalized Cuts (IS…
Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simu…
2021
Abstract The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid quantum mechanics/molecular mechanics (QM/MM), and QM/MM free energy calculations. The results show the reaction starts with the nucleophilic attack of the C2α atom of the HEThDP intermediate on the Cβ atom of the carbonyl group of benzaldehyde substrate via the formation of a transition state (TS1) with the HEThDP intermediate under 4′-aminopyrimidium (APH+) form. The calculated activation free energy for this step is 17.4 kcal mol−1 at 27 °C. From this point, the reaction continues with the abstraction of Hβ atom of the HEThDP in…
Preparation and molecular structures of N′-(2-heteroarylmethylidene)-3-(3-pyridyl)acrylohydrazides
2018
Abstract The crystal and molecular structures of N′-(2-furylmethylidene)-3-(3-pyridyl)acrylohydrazide and N′-(2-thienylmethylidene)-3-(3-pyridyl)acrylohydrazide are reported, and the influence of the type of the heteroatom on the aromaticity of the aromatic rings is discussed. Both molecules are nearly planar. The geometry of the acrylohydrazide arrangement is comparable to that of homologous compounds. Density functional theory (DFT) calculations were performed in order to analyze the changes in the geometry of the studied compounds in the crystalline state and for the isolated molecule. The most significant changes were observed in the values of the N–N and C–N bond lengths. The harmonic …
In.Line: A Navigation Game for Visually Impaired People
2017
Part 3: Serious Games; International audience; In.line is a novel game based on a navigation system, called ARIANNA (pAth Recognition for Indoor Assisted NavigatioN with Augmented perception, [1]), primarily designed for visually impaired people permitting to navigate and find some points of interests in an indoor and outdoor environment by following a path painted or stuck on the floor. The aim of the game is twofold: (1) let the users learn and familiarize with the system, (2) improve blind people spatial skills to let them learn and acquire an allocentric spatial representation. The impact stands in the possibility of enhancing the social inclusion of a large part of the society that is …
Hydrogen Bond Fluctuations Control Photochromism in a Reversibly Photo-Switchable Fluorescent Protein
2015
Reversibly switchable fluorescent proteins (RSFPs) are essential for high-resolution microscopy of biological samples, but the reason why these proteins are photochromic is still poorly understood. To address this problem, we performed molecular dynamics simulations of the fast switching Met159Thr mutant of the RSFP Dronpa. Our simulations revealed a ground state structural heterogeneity in the chromophore pocket that consists of three populations with one, two, or three hydrogen bonds to the phenolate moiety of the chromophore. By means of non-adiabatic quantum mechanics/molecular dynamics simulations, we demonstrated that the subpopulation with a single hydrogen bond is responsible for of…
Taxonomic Classification for Living Organisms Using Convolutional Neural Networks
2017
Taxonomic classification has a wide-range of applications such as finding out more about evolutionary history. Compared to the estimated number of organisms that nature harbors, humanity does not have a thorough comprehension of to which specific classes they belong. The classification of living organisms can be done in many machine learning techniques. However, in this study, this is performed using convolutional neural networks. Moreover, a DNA encoding technique is incorporated in the algorithm to increase performance and avoid misclassifications. The algorithm proposed outperformed the state of the art algorithms in terms of accuracy and sensitivity, which illustrates a high potential f…
An Industrial Automation Course: Common Infrastructure for Physical, Virtual and Remote Laboratories for PLC Programming
2018
<span style="font-family: 'Times New Roman',serif; font-size: 10pt; mso-fareast-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: DE; mso-bidi-language: AR-SA;">This work describes the development of a teaching strategy to leverage current simulation tools and promote learning of industrial automation systems. Specifically, Programmable Logic Controller (PLC) programming in an industrial automation course. We propose an infrastructure where it is possible to work with physical, virtual and mixed laboratories</span>
Deconvolution of the cellular origin in hepatocellular carcinoma: Hepatocytes take the center stage.
2016
The expression of biliary/progenitor markers by hepatocellular carcinoma (HCC) is often associated with poor prognosis and stem cell-like behaviors of tumor cells. Hepatocellular adenomas (HCA) also often express biliary/progenitor markers and frequently act as precursor lesions for HCC. However, the cell of origin of HCA and HCC that expresses these markers still remains unclear. Therefore, to evaluate if mature hepatocytes give rise to HCA and HCC tumors, and to understand the molecular pathways involved in tumorigenesis, we lineage-labeled hepatocytes by injecting adeno-associated virus (AAV) containing thyroxine-binding globulin (TBG) promoter driven-Cre into RosaYFP mice. Yellow fluore…
Administrative Coding in Electronic Health Care Record‐Based Research of NAFLD: An Expert Panel Consensus Statement
2021
BACKGROUND AND AIMS: Electronic health record (EHR)-based research allows the capture of large amounts of data, which is necessary in nonalcoholic fatty liver disease (NAFLD), where the risk of clinical liver outcomes is generally low. The lack of consensus on which International Classification of Disease (ICD) codes should be used as exposures and outcomes limits comparability and generalizability of results across studies. We aimed to establish consensus among a panel of experts on ICD codes that could become the reference standard and provide guidance around common methodological issues.APPROACH AND RESULTS: Researchers with an interest in EHR-based NAFLD research were invited to collect…
Autoantibodies in Spondyloarthritis, Focusing on Anti-CD74 Antibodies
2019
Spondyloarthritis (SpA) is an inflammatory rheumatic disease with diverse clinical presentation. The diagnosis of SpA remains a big challenge in daily clinical practice because of the limitation in specific biomarkers of SpA, more biomarkers are still needed for SpA diagnosis and disease activity monitoring. In the past, SpA was considered predominantly as auto-inflammatory disease vs. autoimmune disease. However, in recent years several researches demonstrated a broad autoantibody response in SpA patients. Study also indicated that mice lack of ZAP70 in T cell develop SpA featured inflammation. These studies indicated the autoimmune features of SpA and gave rise to the potential use of aut…