Phenolic Schiff bases are known as powerful antioxidants. To select the electronic, 2D and 3D descriptors responsible for the free radical scavenging ability of a series of 30 phenolic Schiff bases, a set of molecular descriptors were calculated by using B3P86 (Becke's three parameter hybrid functional with Perdew 86 correlation functional) combined with 6-31 + G(d,p) basis set (i.e., at the B3...

Array-based sensor is an interesting approach that suggests an alternative to expensive analytical methods. In this work, we introduce a novel, simple, and sensitive nanoparticle-based chemiluminescence (CL) sensor array for discrimination of biothiols (e.g., cysteine, glutathione and glutathione disulfide). The proposed CL sensor array is based on the CL efficiencies of four types of enhanced ...

The analysis of changes in water quality in a monitoring network system is important because the sources of pollution vary in time and space. This study utilized analysis of the water quality index calculation, hierarchical cluster analysis, and mapping. This was achieved by assessing the water quality parameters of the samples collected from Galma River in Zaria, Northwestern Nigeria in wet an...

Quantitative Structure-Activity Relationship (QSAR) study on 22 1H-indole-3-acetic acid derivatives with auxin activity was performed by means of Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), Partial Least Squares Regression (PLS) and Multiple Linear Regression (MLR). Molecular geometry of the auxins was optimized at MMFF94 and ab initio B3LYP 6-31G** levels. Modeling...

A cross-sectional study was carried out in 2005 and 2006 in three geographical areas of Madagascar to investigate and differentiate swine farm management and biosecurity practices in smallholder farming communities. Questionnaire data from a total of 709 pig farms were analysed using multiple factor analysis (MFA) and hierarchical cluster analysis (HCA). Variables describing management and bios...

Roots of forest trees are associated with various ectomycorrhizal (ECM) fungal species that are involved in nutrient exchange between host plant and the soil compartment. The identification of ECM fungi in small environmental samples is difficult. The present study tested the feasibility of attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy followed by hierarchical c...

Three hundred and nine carbon-carbon, carbon-nitrogen, and carbon-oxygen pi-bond lengths in high precision crystal structures of 31 purine and pyrimidine nucleobases were related to the Pauling pi-bond order, its analogues corrected to crystal packing effects, the numbers of non-hydrogen atoms around the bond, and the sum of atomic numbers of the bond atoms. Principal Component Analysis (PCA) a...

To discriminate the feasible differences and find potential similarities and relationships of Citri Reticulatae Pericarpium (CRP), this work was accomplished by a comprehensive and reliable method using gas chromatography-mass spectrometer (GC-MS) to analyze the volatile oils and high-performance liquid chromatography (HPLC) simultaneously to determine the contents of five bioactive flavonoids,...

BACKGROUND Little is known about the ability of individual stakeholder groups to achieve health information dissemination goals through Twitter. OBJECTIVE This study aimed to develop and apply methods for the systematic evaluation and optimization of health information dissemination by stakeholders through Twitter. METHODS Tweet content from 1790 followers of @SafetyMD (July-November 2012) ...

In this study, performances of classification techniques were compared in order to predict the presence of coronary artery disease (CAD). A retrospective analysis was performed in 1245 subjects (865 presence of CAD and 380 absence of CAD). We compared performances of logistic regression (LR), classification and regression tree (CART), multi-layer perceptron (MLP), radial basis function (RBF), a...