Multiscale Syntheses of Knee Collateral Ligament Stresses: Aggregate Mechanics as a Function of Molecular Properties

Knee collateral ligaments play a significant role in restraining excessive frontal motion (varus/valgus rotations). In this investigation, a multiscale frame was developed based on structural hierarchies of the collateral ligaments starting from the bottom (tropocollagen molecule) to up where the fibred reinforced structure established. Experimental data of failure tensile test were considered as the principal driver of the developed model. This model was calibrated statistically using Bayesian calibration due to the high number of unknown parameters. Then the model is scaled up to fit the real structure of the collateral ligaments and simulated under realistic boundary conditions. Predications have been successful in describing the observed transient response of the collateral ligaments during tensile test under pre- and post-damage loading conditions. Collateral ligaments maximum stresses and strengths were observed near to the femoral insertions, a results that is in good agreement with experimental investigations. Also for the first time, damage initiation and propagation were documented with this model as a function of the cross-link density between tropocollagen molecules.

Investigations of Protein Aggregation Using Sequence and Structure Based Features

The main cause of several neurodegenerative diseases such as Alzhemier, Parkinson and spongiform encephalopathies is formation of amyloid fibrils and plaques in proteins. We have analyzed different sets of proteins and peptides to understand the influence of sequence based features on protein aggregation process. The comparison of 373 pairs of homologous mesophilic and thermophilic proteins showed that aggregation prone regions (APRs) are present in both. But, the thermophilic protein monomers show greater ability to ‘stow away’ the APRs in their hydrophobic cores and protect them from solvent exposure. The comparison of amyloid forming and amorphous b-aggregating hexapeptides suggested distinct preferences for specific residues at the six positions as well as all possible combinations of nine residue pairs. The compositions of residues at different positions and residue pairs have been converted into energy potentials and utilized for distinguishing between amyloid forming and amorphous b-aggregating peptides. Our method could correctly identify the amyloid forming peptides at an accuracy of 95-100% in different datasets of peptides.

A Preliminary X-Ray Study on Human-Hair Microstructures for a Health-State Indicator

We present a preliminary x-ray study on human-hair microstructures for a health-state indicator, in particular a cancer case. As an uncomplicated and low-cost method of x-ray technique, the human-hair microstructure was analyzed by wide-angle x-ray diffractions (XRD) and small-angle x-ray scattering (SAXS). The XRD measurements exhibited the simply reflections at the d-spacing of 28 Å, 9.4 Å and 4.4 Å representing to the periodic distance of the protein matrix of the human-hair macrofibrous and the diameter and the repeated spacing of the polypeptide alpha helixes of the photofibrils of the human-hair microfibrous, respectively. When compared to the normal cases, the unhealthy cases including to the breast- and ovarian-cancer cases obtained higher normalized ratios of the x-ray diffracting peaks of 9.4 Å and 4.4 Å. This likely resulted from the varied distributions of microstructures by a molecular alteration. As an elemental analysis by x-ray fluorescence (XRF), the normalized quantitative ratios of zinc(Zn)/calcium(Ca) and iron(Fe)/calcium(Ca) were determined. Analogously, both Zn/Ca and Fe/Ca ratios of the unhealthy cases were obtained higher than both of the normal cases were. Combining the structural analysis by XRD measurements and the elemental analysis by XRF measurements exhibited that the modified fibrous microstructures of hair samples were in relation to their altered elemental compositions. Therefore, these microstructural and elemental analyses of hair samples will be benefit to associate with a diagnosis of cancer and genetic diseases. This functional method would lower a risk of such diseases by the early diagnosis. However, the high-intensity x-ray source, the highresolution x-ray detector, and more hair samples are necessarily desired to develop this x-ray technique and the efficiency would be enhanced by including the skin and fingernail samples with the human-hair analysis.

Structural Characteristics of Batch Processed Agro-Waste Fibres

The characterisation of agro-wastes fibres for composite applications from Nigeria using X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM) has been done. Fibres extracted from groundnut shell, coconut husk, rice husk, palm fruit bunch and palm fruit stalk are processed using two novel cellulose fibre production methods developed by the authors. Cellulose apparent crystallinity calculated using the deconvolution of the diffractometer trace shows that the amorphous portion of cellulose was permeable to hydrolysis yielding high crystallinity after treatment. All diffratograms show typical cellulose structure with well-defined 110, 200 and 040 peaks. Palm fruit fibres had the highest 200 crystalline cellulose peaks compared to others and it is an indication of rich cellulose content. Surface examination of the resulting fibres using SEM indicates the presence of regular cellulose network structure with some agglomerated laminated layer of thin leaves of cellulose microfibrils. The surfaces were relatively smooth indicating the removal of hemicellulose, lignin and pectin.

Realignment of f-actin Cytoskeleton in Osteocytes after Mechanical Loading

F-actin fibrils are the cytoskeleton of osteocytes. They react in a dynamic manner to mechanical loading, and strength and reposition their efforts to reinforce the cells structure. We hypothesize that f-actin is temporarly disrupted after loading and repolymerizes in a new orientation to oppose the applied load. In vitro studies are conducted to determine f-actin disruption after varying mechanical stimulus parameters that are known to affect bone formation. Results indicate that the f-actin cytoskeleton is disrupted in vitro as a function of applied mechanical stimulus parameters and that the f-actin bundles reassemble after loading induced disruption within 3 minutes after cessation of loading. The disruption of the factin cytoskeleton depends on the magnitude of stretch, the numbers of loading cycles, frequency, the insertion of rest between loading cycles and extracellular calcium. In vivo studies also demonstrate disruption of the f-actin cytoskeleton in cells embedded in the bone matrix immediately after mechanical loading. These studies suggest that adaptation of the f-actin fiber bundles of the cytoskeleton in response to applied loads occurs by disruption and subsequent repolymerization.

The Determination of Cellulose Spiral Angle by Small-Angle X-Ray Scattering from Structurally Characterized Acacia mangium Cell Wall

The spiral angle of the elementary cellulose fibril in the wood cell wall, often called microfibril angle, (MFA). Microfibril angle in hardwood is one of the key determinants of solid timber performance due to its strong influence on the stiffness, strength, shrinkage, swelling, thermal-dynamics mechanical properties and dimensional stability of wood. Variation of MFA (degree) in the S2 layer of the cell walls among Acacia mangium trees was determined using small-angle X-ray scattering (SAXS). The length and orientation of the microfibrils of the cell walls in the irradiated volume of the thin samples are measured using SAXS and optical microscope for 3D surface measurement. The undetermined parameters in the analysis are the MFA, (M) and the standard deviation (σФ) of the intensity distribution arising from the wandering of the fibril orientation about the mean value. Nine separate pairs of values are determined for nine different values of the angle of the incidence of the X-ray beam relative to the normal to the radial direction in the sample. The results show good agreement. The curve distribution of scattered intensity for the real cell wall structure is compared with that calculated with that assembly of rectangular cells with the same ratio of transverse to radial cell wall length. It is demonstrated that for β = 45°, the peaks in the curve intensity distribution for the real and the rectangular cells coincide. If this peak position is Ф45, then the MFA can be determined from the relation M = tan-1 (tan Ф45 / cos 45°), which is precise for rectangular cells. It was found that 92.93% of the variation of MFA can be attributed to the distance from pith to bark. Here we shall present our results of the MFA in the cell wall with respect to its shape, structure and the distance from pith to park as an important fast check and yet accurate towards the quality of wood, its uses and application.