50,421 results match your criteria modeling approach


Pharmacophore based drug design and synthesis of oxindole bearing hybrid as anticancer agents.

Bioorg Chem 2021 Sep 16;116:105358. Epub 2021 Sep 16.

Department of Pharmaceutical Chemistry, SPER, Jamia Hamdard, Hamdard Nagar, New Delhi, India. Electronic address:

Dual TK inhibitors have shown significant clinical effects against many tumors, but with unmanageable side effects. Design approach and selectivity of these inhibitors plays substantial role in their potency and side-effects. Understanding the homology of binding sites in targeted receptors, and involvement of signaling proteins after the inhibition might help in producing less toxic but effective inhibitors. Read More

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September 2021

Estimating monthly PM concentrations from satellite remote sensing data, meteorological variables, and land use data using ensemble statistical modeling and a random forest approach.

Environ Pollut 2021 Sep 14;291:118159. Epub 2021 Sep 14.

Institute of Environmental and Occupational Health Sciences, School of Public Health, National Taiwan University, Taiwan. Electronic address:

Fine particulate matter (PM) is associated with various adverse health outcomes and poses serious concerns for public health. However, ground monitoring stations for PM measurements are mostly installed in population-dense or urban areas. Thus, satellite retrieved aerosol optical depth (AOD) data, which provide spatial and temporal surrogates of exposure, have become an important tool for PM estimates in a study area. Read More

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September 2021

Penalty weighted glucose prediction models could lead to better clinically usage.

Comput Biol Med 2021 Sep 15;138:104865. Epub 2021 Sep 15.

Department of Health Science and Technology, Aalborg University, Denmark.

Background And Objective: Numerous attempts to predict glucose value from continuous glucose monitors (CGM) have been published. However, there is a lack of proper analysis and modeling of penalty for errors in different glycemic ranges. The aim of this study was to investigate the potential for developing glucose prediction models with focus on the clinical aspects. Read More

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September 2021

Deep Tobit networks: A novel machine learning approach to microeconometrics.

Neural Netw 2021 Sep 9;144:279-296. Epub 2021 Sep 9.

Department of Statistics, Zhongnan University of Economics and Law, Wuhan 430073, China. Electronic address:

Tobit models (also called as "censored regression models" or classified as "sample selection models" in microeconometrics) have been widely applied to microeconometric problems with censored outcomes. However, due to their linear parametric settings and restrictive normality assumptions, the traditional Tobit models fail to capture the pervading nonlinearities and thus may be inadequate for microeconometric analysis with large-scale datasets. This paper proposes two novel deep neural networks for Tobit problems and explores machine learning approaches in the context of microeconometric modeling. Read More

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September 2021

Modeling annual elevated blood lead levels among children in Maryland in relation to neighborhood deprivation.

Sci Total Environ 2021 Sep 15;805:150333. Epub 2021 Sep 15.

Department of Public Health, College of Life Sciences, Brigham Young University, Provo, UT, United States of America.

Estimating environmental lead exposure using ecologic risk models is an inexpensive strategy to inform public health departments and to develop location-based intervention strategies such as targeted screening and mitigation. Importantly, studies in this area have not assessed temporal and spatio-temporal lead exposure risk trends. Due to lead abatement efforts and targeted screening efforts, it is anticipated that lead exposure risk has decreased over time. Read More

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September 2021

Neural dynamics underlying the acquisition of distinct auditory category structures.

Neuroimage 2021 Sep 17:118565. Epub 2021 Sep 17.

Department of Communication Science and Disorders, School of Health and Rehabilitation Sciences, University of Pittsburgh, Pittsburgh, PA 15260, USA; Center for the Neural Basis of Cognition, Pittsburgh, PA, 15232, USA. Electronic address:

Despite the multidimensional and temporally fleeting nature of auditory signals we quickly learn to assign novel sounds to behaviorally relevant categories. The neural systems underlying the learning and representation of novel auditory categories are far from understood. Current models argue for a rigid specialization of hierarchically organized core regions that are fine-tuned to extracting and mapping relevant auditory dimensions to meaningful categories. Read More

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September 2021

A Petri nets-based framework for whole-cell modeling.

Biosystems 2021 Sep 17:104533. Epub 2021 Sep 17.

Department of Computer Science, Brandenburg Technical University (BTU), Cottbus, Germany. Electronic address:

Whole-cell modeling aims to incorporate all main genes and processes, and their interactions of a cell in one model. Whole-cell modeling has been regarded as the central aim of systems biology but also as a grand challenge, which plays essential roles in current and future systems biology. In this paper, we analyze whole-cell modeling challenges and requirements and classify them into three aspects (or dimensions): heterogeneous biochemical networks, uncertainties in components, and representation of cell structure. Read More

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September 2021

The HTLV-1 viral oncoproteins Tax and HBZ reprogram the cellular mRNA splicing landscape.

PLoS Pathog 2021 Sep 20;17(9):e1009919. Epub 2021 Sep 20.

Laboratory of Viral Interactomes, GIGA Institute, University of Liege, Liege, Belgium.

Viral infections are known to hijack the transcription and translation of the host cell. However, the extent to which viral proteins coordinate these perturbations remains unclear. Here we used a model system, the human T-cell leukemia virus type 1 (HTLV-1), and systematically analyzed the transcriptome and interactome of key effectors oncoviral proteins Tax and HBZ. Read More

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September 2021

Replicating prediction algorithms for hospitalization and corticosteroid use in patients with inflammatory bowel disease.

PLoS One 2021 20;16(9):e0257520. Epub 2021 Sep 20.

University of Michigan Health System, Ann Arbor, Michigan, United States of America.

Introduction: Previous work had shown that machine learning models can predict inflammatory bowel disease (IBD)-related hospitalizations and outpatient corticosteroid use based on patient demographic and laboratory data in a cohort of United States Veterans. This study aimed to replicate this modeling framework in a nationally representative cohort.

Methods: A retrospective cohort design using Optum Electronic Health Records (EHR) were used to identify IBD patients, with at least 12 months of follow-up between 2007 and 2018. Read More

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September 2021

SARS-CoV-2 adsorption on suspended solids along a sewerage network: mathematical model formulation, sensitivity analysis, and parametric study.

Environ Sci Pollut Res Int 2021 Sep 17. Epub 2021 Sep 17.

Faculty of Veterinary Medicine, School of Health Sciences, Aristotle University of Thessaloniki, 54124, Thessaloniki, Greece.

Accounting for SARS-CoV-2 adsorption on solids suspended in wastewater is a necessary step towards the reliable estimation of virus shedding rate in a sewerage system, based on measurements performed at a terminal collection station, i.e., at the entrance of a wastewater treatment plant. Read More

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September 2021

The Role of the Hippocampus in the Neuroendocrine Response to Neurobiological Stimuli in Experiment.

Bull Exp Biol Med 2021 Sep 20. Epub 2021 Sep 20.

M. V. Lomonosov Moscow State University, Moscow, Russia.

We compared the levels of functional activity of cells in each adrenal zone with blood levels of corticosterone, testosterone, and neuropeptide Y in control and hippocampectomized F1(C57BL/6×DBA/2) mice during modeling of metabolic, motivational, and cognitive tension. The morphofunctional state of the adrenal glands was studied using a new morphometric approach. It was found that hippocampectomy changed the testosterone response to neurobiological stimuli; similar changes were observed in the zona reticularis of the adrenal cortex producing dehydroepiandrosterone that is involved in the regulation of testosterone secretion. Read More

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September 2021

Investigation of the Impact of School Climate and Teachers' Self-Efficacy on Job Satisfaction: A Cross-Cultural Approach.

Eur J Investig Health Psychol Educ 2019 Oct 14;10(1):119-133. Epub 2019 Oct 14.

Department of Primary Education, University of Patras, 265 04 Patras, Greece.

The purpose of this study is twofold: (a) To confirm the mediating role of teachers' self-efficacy between the relation of school climate and teachers' job satisfaction and (b) to tease apart any cross-cultural effects of the association of self-efficacy and job satisfaction by comparing teachers' responses. Drawing upon the publicly available TALIS 2018 (June 2019) database, a representative sample of 51,782 primary school teachers from 15 countries was used for the analyses. Structural equation modeling was implemented to test for mediation effects of teachers' self-efficacy at the individuals' level and a general linear model (GLM) MANOVA was applied to compare the participants' scores in self-efficacy and job satisfaction across cultures. Read More

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October 2019

The "DOLPHINS" Project: A Low-Cost Real-Time Multivariate Process Control From Large Sensor Arrays Providing Sparse Binary Data.

Front Chem 2021 3;9:734132. Epub 2021 Sep 3.

Dipartimento di Chimica, Università Degli Studi di Torino, Torino, Italy.

The "DOLPHINS" project started in 2018 under a collaboration between three partners: CNH Industrial Iveco (CHNi), RADA (an informatics company), and the Chemistry Department of the University of Turin. The project's main aim was to establish a predictive maintenance method in real-time at a pilot plant (CNHi Iveco, Brescia, Italy). This project currently allows maintenance technicians to intervene on machinery preventively, avoiding breakdowns or stops in the production process. Read More

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September 2021

Coherent-interface-induced strain in large lattice-mismatched materials: A new approach for modeling Raman shift.

Nano Res 2021 Sep 13:1-8. Epub 2021 Sep 13.

Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, AR 72701 USA.

Strain engineering as one of the most powerful techniques for tuning optical and electronic properties of Ill-nitrides requires reliable methods for strain investigation. In this work, we reveal, that the linear model based on the experimental data limited to within a small range of biaxial strains (< 0.2%), which is widely used for the non-destructive Raman study of strain with nanometer-scale spatial resolution is not valid for the binary wurtzite-structure group-III nitrides GaN and AlN. Read More

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September 2021

Entrepreneurial Team Knowledge Diversity and Creativity: A Multilevel Analysis of Knowledge Sharing, Individual Creativity, and Team Creativity.

Front Psychol 2021 1;12:717756. Epub 2021 Sep 1.

Institute of Advanced Studies in Humanities and Social Sciences, Beijing Normal University, Zhuhai, China.

Although the academic community has consistent with the key role of entrepreneurial team knowledge diversity (ETKD), which serves as a critical catalyst of creativity in organizations, the extant research on the link between knowledge diversity and creativity is mainly concerned with individual creativity in single-level analyses. With emerging entrepreneurial ventures increasingly relying on innovation enhancement in the form of teams, there is research motivation to explore how team-level creativity develops. In this sense, this study attempts to investigate the underlying mechanism through which ETKD is associated with team-level creativity. Read More

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September 2021

Fast Optical Investigation of Cardiac Electrophysiology by Parallel Detection in Multiwell Plates.

Front Physiol 2021 3;12:692496. Epub 2021 Sep 3.

European Laboratory for Non-linear Spectroscopy, Sesto Fiorentino, Italy.

Current techniques for fast characterization of cardiac electrophysiology employ optical technologies to control and monitor action potential features of single cells or cellular monolayers placed in multiwell plates. High-speed investigation capacities are commonly achieved by serially analyzing well after well employing fully automated fluorescence microscopes. Here, we describe an alternative cost-effective optical approach (MULTIPLE) that exploits high-power LED arrays to globally illuminate a culture plate and an sCMOS sensor for parallel detection of the fluorescence coming from multiple wells. Read More

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September 2021

Patient-Specific Network Connectivity Combined With a Next Generation Neural Mass Model to Test Clinical Hypothesis of Seizure Propagation.

Front Syst Neurosci 2021 1;15:675272. Epub 2021 Sep 1.

Inria Sophia Antipolis Méditerranée Research Centre, MathNeuro Team, Valbonne, France.

Dynamics underlying epileptic seizures span multiple scales in space and time, therefore, understanding seizure mechanisms requires identifying the relations between seizure components within and across these scales, together with the analysis of their dynamical repertoire. In this view, mathematical models have been developed, ranging from single neuron to neural population. In this study, we consider a neural mass model able to exactly reproduce the dynamics of heterogeneous spiking neural networks. Read More

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September 2021

Automated conceptual model clustering: a relator-centric approach.

Softw Syst Model 2021 Sep 15:1-25. Epub 2021 Sep 15.

UGent Business Informatics Research Group, Ghent University, Ghent, Belgium.

In recent years, there has been a growing interest in the use of reference conceptual models to capture information about complex and sensitive business domains (e.g., finance, healthcare, space). Read More

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September 2021

Prior Informed Regularization of Recursively Updated Latent-Variables-Based Models with Missing Observations.

Control Eng Pract 2021 Nov 11;116. Epub 2021 Sep 11.

Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616 USA.

Many data-driven modeling techniques identify locally valid, linear representations of time-varying or nonlinear systems, and thus the model parameters must be adaptively updated as the operating conditions of the system vary, though the model identification typically does not consider prior knowledge. In this work, we propose a new regularized partial least squares (rPLS) algorithm that incorporates prior knowledge in the model identification and can handle missing data in the independent covariates. This latent variable (LV) based modeling technique consists of three steps. Read More

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November 2021

Volatility forecasting of crude oil futures based on a genetic algorithm regularization online extreme learning machine with a forgetting factor: The role of news during the COVID-19 pandemic.

Resour Policy 2021 Oct 21;73:102148. Epub 2021 May 21.

School of Business Administration, Hunan University, Changsha, Hunan, 410082, China.

The outbreak of news and opinions during the COVID-19 pandemic is unprecedented in this age of rapid dissemination of information. The ensuing uncertainty has led to the emergence of heightened volatility in prices of crude oil futures. Whether such news has predictive value for the volatility of crude oil futures during the COVID-19 pandemic is examined in this research. Read More

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October 2021

Multivariate Longitudinal Assessment of Kidney Function Outcomes on Graft Survival after Kidney Transplantation Using Multivariate Joint Modeling Approach: A Retrospective Cohort Study.

Iran J Med Sci 2021 Sep;46(5):364-372

Department of Epidemiology and Biostatistics, School of Public Health, Tehran University of Medical Sciences, Tehran, Iran.

Background: The performance of a transplanted kidney is evaluated by monitoring variations in the value of the most important markers. These markers are measured longitudinally, and their variation is influenced by other factors. The simultaneous use of these markers increases the predictive power of the analytical model. Read More

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September 2021

Wall stresses of early remodeled pulmonary autografts.

J Thorac Cardiovasc Surg 2021 Aug 31. Epub 2021 Aug 31.

Division of Cardiothoracic Surgery, Department of Surgery, University of California San Francisco Medical Center and San Francisco VA Medical Center, San Francisco, Calif. Electronic address:

Objective: The Ross procedure is an excellent option for children or young adults who need aortic valve replacement because it can restore survival to that of the normal aged-matched population. However, autograft remodeling can lead to aneurysmal formation and reoperation, and the biomechanics of this process is unknown. This study investigated postoperative autograft remodeling after the Ross procedure by examining patient-specific autograft wall stresses. Read More

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Real-time monitoring of the emission of volatile organic compounds from polylactide 3D printing filaments.

Sci Total Environ 2021 Sep 14;805:150181. Epub 2021 Sep 14.

Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, 11/12 Narutowicza Street, 80-233 Gdańsk, Poland.

Establishing the emission profile of volatile organic compounds generated during fused deposition modeling 3D printing using polymer filaments is important in terms of both understanding the processes taking place during thermal degradation of thermoplastics, and assessing the user's exposure to potentially harmful volatiles. However, obtaining detailed, real-time qualitative and quantitative results poses a challenge. In this paper solid-phase microextraction-gas chromatography-time-of-flight mass spectrometry and proton transfer reaction time-of-flight mass spectrometry were used to identify and monitor the emission of volatiles during thermal degradation of polylactide filaments and during 3D printing. Read More

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September 2021

Bird occupancy in intensively managed agroecosystems under large-scale organic and conventional farming in Argentina: A multi-species approach.

Sci Total Environ 2021 Sep 11;805:150301. Epub 2021 Sep 11.

Grupo de Investigaciones en Ecología Poblacional y Comportamental (GIEPCO), Instituto de Ciencias de la Tierra, Biodiversidad y Ambiente (ICBIA), Universidad Nacional de Río Cuarto - Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Río Cuarto, Córdoba, Argentina.

Several studies in European and North American agroecosystems conclude that organic farming benefits birds compared to conventional farming. Nevertheless, there are some biases toward these geographic regions and farm size. Argentinian agroecosystems are particularly homogeneous with large arable fields and sparse uncultivated field margins (i. Read More

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September 2021

Noncancerous Genitourinary Conditions as a Public Health Priority: Conceptualizing the Hidden Burden.

Urology 2021 Sep 15. Epub 2021 Sep 15.

Department of Biomedical Engineering, Medical College of Wisconsin, Milwaukee, Wisconsin.

Objective: To provide a conceptual framework to guide investigations into burdens of noncancerous genitourinary conditions (NCGUCs), which are extensive and poorly understood.

Methods: The National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) convened a workshop of diverse, interdisciplinary researchers and health professionals to identify known and hidden burdens of NCGUCs that must be measured to estimate the comprehensive burden. Following the meeting, a subgroup of attendees (authors of this article) continued to meet to conceptualize burden. Read More

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September 2021

Resolving small distance variations by single-molecule FRET & EPR spectroscopy using rotamer libraries.

Biophys J 2021 Sep 15. Epub 2021 Sep 15.

Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, Switzerland.

Förster Resonance Energy Transfer (FRET) and Electron Paramagnetic Resonance (EPR) spectroscopy are complementary techniques for quantifying distances in the nanometer range. Both approaches are commonly employed for probing the conformations and conformational changes of biological macromolecules based on site-directed fluorescent or paramagnetic labeling. FRET can be applied in solution at ambient temperature and thus provides direct access to dynamics, especially if used at the single-molecule level, while EPR requires immobilization or work at cryogenic temperatures but provides data that can be more reliably used to extract distance distributions. Read More

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September 2021

D-SCRIPT translates genome to phenome with sequence-based, structure-aware, genome-scale predictions of protein-protein interactions.

Cell Syst 2021 Sep 14. Epub 2021 Sep 14.

Computer Science and Artificial Intelligence Lab., Massachusetts Institute of Technology, Cambridge, MA 02139, USA; Department of Mathematics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. Electronic address:

We combine advances in neural language modeling and structurally motivated design to develop D-SCRIPT, an interpretable and generalizable deep-learning model, which predicts interaction between two proteins using only their sequence and maintains high accuracy with limited training data and across species. We show that a D-SCRIPT model trained on 38,345 human PPIs enables significantly improved functional characterization of fly proteins compared with the state-of-the-art approach. Evaluating the same D-SCRIPT model on protein complexes with known 3D structure, we find that the inter-protein contact map output by D-SCRIPT has significant overlap with the ground truth. Read More

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September 2021

Population pharmacokinetic analysis of entrectinib in pediatric and adult patients with advanced/metastatic solid tumors: support of new drug application submission.

Cancer Chemother Pharmacol 2021 Sep 18. Epub 2021 Sep 18.

Roche Pharmaceutical Research and Early Development, Roche Innovation Center, F. Hoffmann-La Roche Ltd, Grenzacherstrasse 124, Basel, Switzerland.

Purpose: Entrectinib (ROZLYTREK) is a CNS-active, potent, and selective inhibitor of ROS1, TRK A/B/C, and ALK kinase activity. It was recently approved for the treatment of ROS1-positive non-small cell lung cancer and NTRK gene fusion-positive solid tumors. The main objective of this analysis was to characterize the pharmacokinetics (PK) of entrectinib and its main active metabolite, M5. Read More

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September 2021

Daily Stressor Exposure and Daily Well-Being Among Sexual Minority and Heterosexual Adults in the United States: Results from the National Study of Daily Experiences (NSDE).

Ann Behav Med 2021 Sep 18. Epub 2021 Sep 18.

Center for Healthy Aging, The Pennsylvania State University, University Park, PA, USA.

Background: Daily stress plays a significant role in mental and physical health. Negative mood (e.g. Read More

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September 2021

Interpreting nephrometry scores with three-dimensional virtual modelling for better planning of robotic partial nephrectomy and predicting complications.

Urol Oncol 2021 Sep 14. Epub 2021 Sep 14.

Department of Experimental, Diagnostic and Specialty Medicine (DIMES), Laboratory of Bioengineering, University of Bologna, Bologna, Italy; Department of Biomedical and Neuromotor Sciences (DIBINEM), University of Bologna, Bologna, Italy.

Objective: 3D models are increasingly used as additional preoperative tools for renal surgery. We aim to evaluate the impact of 3D renal models in the assessment of PADUA, RENAL, Contact Surface Area (CSA) and Arterial Based Complexity (ABC) for the prediction of complications after Robot assisted Partial Nephrectomy (RAPN).

Methods And Materials: Overall, 57 patients with T1 and 1 patient with T2 renal mass referred to RAPN, were prospectively enrolled. Read More

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September 2021