BACKGROUND In this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of beta-cyclodextrin (beta-CD) with different guest molecules. A training dataset comprised of 176 beta-CD guest molecules with experimentally determined thermodynamic quantities was taken from the literature. We compared...

Usage and dosage of food antiseptics are very concerned due to their decisive influence in food safety. Surface-enhanced Raman scattering (SERS) effect was employed in this research to realize trace potassium sorbate (PS) and sodium benzoate (SB) detection. HfO2 ultrathin film-coated Ag NR array was fabricated as SERS substrate. Protected by HfO2 film, the SERS substrate possesses good acid res...

PURPOSE Chronic Lymphocytic Leukemia (CLL) is defined by a perturbed B-cell receptor-mediated signaling machinery. We aimed to model differential signaling behavior between B cells from CLL and healthy individuals to pinpoint modes of dysregulation. EXPERIMENTAL DESIGN We developed an experimental methodology combining immunophenotyping, multiplexed phosphospecific flow cytometry, and multifa...

Above-ground biomass (AGB) provides a vital link between solar energy consumption and yield, so its correct estimation is crucial to accurately monitor crop growth and predict yield. In this work, we estimate AGB by using 54 vegetation indexes (e.g., Normalized Difference Vegetation Index, Soil-Adjusted Vegetation Index) and eight statistical regression techniques: artificial neural network (AN...

INTRODUCTION Cognitive performance in patients with Alzheimer's dementia (AD) and mild cognitive impairment (MCI) has been reported to be related to hippocampal atrophy and microstructural changes in white matter (WM). We aimed to predict the neurocognitive functions of patients with MCI or AD using hippocampal volumes and diffusion tensor imaging (DTI) metrics via partial least squares regress...

This study used visible and near-infrared (VIS-NIR) spectroscopy for size estimation of tomato fruits of three cultivars. A mobile, fibre-type, VIS-NIR spectrophotometer (AgroSpec, Tec 5, Germany) with spectral range of 350-2200 nm, was used to measure reflectance spectra of on-vine tomatoes growing from July to September 2010. Spectra were divided into a calibration set (75%) and an independen...