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Multivariate methods based on principal components (PCA and PLS) have been used to reduce NMR spectral information, to predict NMR parameters of complicated structures, and to relate shift data sets to dependent descriptors of biological significance. Noise reduction and elimination of instrumental artifacts are easily performed on 2D NMR data.(More)
Metabolomics studies generate increasingly complex data tables, which are hard to summarize and visualize without appropriate tools. The use of chemometrics tools, e.g., principal component analysis (PCA), partial least-squares to latent structures (PLS), and orthogonal PLS (OPLS), is therefore of great importance as these include efficient, validated, and(More)
Wood cells, unlike most other cells in plants, grow by a unique combination of intrusive and symplastic growth. Fibers grow in diameter by diffuse symplastic growth, but they elongate solely by intrusive apical growth penetrating the pectin-rich middle lamella that cements neighboring cells together. In contrast, vessel elements grow in diameter by a(More)
This work was undertaken to investigate the feasibility of using near infrared spectroscopy (NIR) and partial least squares regression (PLS) as a tool to characterize the basic wood properties of Norway Spruce (Picea abies (L.) Karst.). The wood samples originated from a trial located in the province of Västerbotten in Sweden. In this trial, the effects of(More)
BACKGROUND Unstable implants in bone become surrounded by an osteolytic zone. This is seen around loose screws, for example, but may also contribute to prosthetic loosening. Previous animal studies have shown that such zones can be induced by fluctuations in fluid pressure or flow, caused by implant instability. METHOD To understand the roles of pressure(More)
A model where bone resorption is driven by stimulus from fluid flow is developed and used as a basis for computer simulations, which are compared with experiments. Models for bone remodeling are usually based on the state of stress, strain, or energy density of the bone tissue as the stimulus for remodeling. We believe that there is experimental support for(More)
The co-operative calcium binding mechanism of the two C-terminal EF-hands of human alphaII-spectrin has been investigated by site-specific mutagenesis and multi-dimensional NMR spectroscopy. To analyse the calcium binding of each EF-hand independently, two mutant structures (E33A and D69S) of wild type alpha-spectrin were prepared. According to NMR analysis(More)
The nonlinear optical quantities, second and third harmonics (beta and gamma), were predicted using a quantitative structure-property relationship (QSPR) approach. Molecular orbital ab initio calculations were applied to generate easily accessible variables to be used in the partial least-squares analysis. Simplified equations are presented that could be(More)
Fluid flow is important in many biomechanical models, but there is a lack of experimental data that quantifies soft tissue permeability. We measured the tissue permeability in fibrous soft tissue, using a novel technique to obtain specimens by allowing soft tissue to grow into coralline hydroxyapatite scaffoldings implanted between the abdominal muscle(More)
Styryl dyes 4a-e containing a 15-crown-5 ether unit and a quinoline residue with a sulfonatoalkyl or sulfonatobenzyl N-substituent were synthesized. The relationship between the photochemical behavior of these dyes and their aggregates derived from complexation with Mg(2+) in MeCN was studied using (1)H NMR and absorption spectroscopy. The E-isomers of 4a-e(More)