Selectivity in separation using π electron-rich stationary phases for the comprehensive two-dimensional analysis of cafe espresso

The multidimensional high-performance liquid chromatography separations of the complex sample matrix found in café espresso coffee were completed on the propyl phenyl and butyl phenyl columns that contain 3 and 4 carbon atoms in the spacer chain, respectively. Phenyl type stationary phases are able to undergo unique π–π interactions with aromatic compounds. Previous works have found that there are differences in retention characteristics between these chain lengths and this was explored further here. It was found that when analysing the separations by quadrants, using a geometric approach to factor analysis and by measuring the normalised mean radius, subtle differences in the separations were observed and the butyl phenyl phase was more selective for the high to medium polarity species. However, there was very little difference in separation behaviour for the hydrophobic components within the coffee sample. Overall, the analysis of the entire separation showed very little difference.

Analysis of spherical indentation of superelastic shape memory alloys

Dimensional analysis and the finite element method are applied in this paper to study spherical indentation of superelastic shape memory alloys. The scaling relationships derived from dimensional analysis bridge the indentation response and the mechanical properties of a superelastic shape memory alloy. Several key variables of a superelastic indentation curve are revealed and examined. We prove that the bifurcation force in a superelastic indentation curve only relies on the forward transformation stress and the elastic properties of the initial austenite; and the return force in a superelastic indentation curve only relies on the reverse transformation stress and the elastic properties of the initial austenite. Furthermore, the dimensionless functions to determine the bifurcation force and the return force are proved to be identical. These results not only enhance our understanding of spherical indentation of superelastic shape memory alloys, but also provide the theoretical basis for developing a practicable method to calibrate the mechanical properties of a superelastic material from the spherical indentation test.

Slope stability charts for two-layered purely cohesive soils based on finite-element limit analysis methods

Stability charts for soil slopes, first produced in the first half of the twentieth century, continue to be used extensively as design tools, and draw the attention of many investigators. This paper uses finite-element upper and lower bound limit analysis to assess the short-term stability of slopes in which the slopematerial and subgrade foundation material have two distinctly different undrained strengths. The stability charts are proposed, and the exact theoretical solutions are bracketed to within 4.2% or better. In addition, results from the limit-equilibrium method (LEM) have been used for comparison. Differences of up to 20% were found between the numerical limit analysis and LEM solutions. It also shown that the LEM sometimes leads to errors, although it is widely used in practice for slope stability assessments.

Slope stability analysis for fill slopes using finite element limit analysis

This paper investigates the stability of fill slopes often found in embankment cases where frictional fill materials are placed on purely cohesive undrained clay with increasing strength. By using finite element upper and lower bound limit analysis for this investigation, the limit load can be truly bounded. It is known that two-dimensional analysis yields a more conservative result due to plain strain condition when compared to three-dimensional analysis. Therefore, this paper will focus on three-dimensional (3D) slope stability analysis and for comparison purposes two-dimensional analysis results will be employed. In fact, the final results are presented in the form of comprehensive chart solutions for the convenience of practicing engineers during preliminary slope design. The failure mechanism will also be discussed in order to further illustrate the situation during failure. It should be highlighted that the failure mechanisms are obtained through the numerical method itself and no prior assumptions are required, therefore, are more realistic and able to provide a better understanding for the slope failure surfaces.

Laboratory model studies of flushing of trapped salt water from a blocked tidal estuary

Results are presented from a series of laboratory model studies of the flushing of saline water from a partially- or fully-closed estuary. Experiments have been carried out to determine quantitatively the response of the trapped saline volume to fresh water flushing discharges Q for different values of the estuary bed slope α and the density difference (∆ρ)_o between the saline and fresh water. The trapped saline water forms a wedge within the estuary and for maintained steady discharges, flow visualisation and density profile data confirm that its response to the imposition of the freshwater purging flow occurs in two stages, namely (i) an initial phase characterised by intense shear-induced mixing at the nose of the wedge and (ii) a relatively quiescent second phase where the mixing is significantly reduced and the wedge is forced relatively slowly down and along the bed slope. Scalings based upon simple energy balance considerations are shown to be successful in (i) describing the time-dependent wedge behaviour and (ii) quantifying the proportion of input kinetic energy converted into increasing the potential energy of the wedge/river system. Measurements show that the asymptotic value of the energy conversion factor increases with increasing value of the river Froude number Fr_o at small values of Fr_o, thereafter reaching a maximum value and a gradual decrease at the highest values of Fr_o. Dimensional analysis considerations indicate that the normalised, time-dependent wedge position (x_w)³(g')o/q² can be represented empirically by a power-law relationship of the form (x_w)[(g')_o/q²]^1/3 =C [(t)[(g')_o²/q]^1/3]"where the proportionality coefficient C is a function of both Fr_o and the slope angle α and the exponent n has a value of 0.24. Successful attempts are made to relate the model data to existing field observations from a microtidal estuary.

Experiments with multiple, intermittent periodic flushing flows confirm the importance of the starting phase of each flushing event for the time dependent behaviour of the saline wedge after reaching equilibrium in the intervals between such events. For the parameter ranges investigated and for otherwise-identical external conditions, no significant differences are found in the position of the wedge between cases of sequential multiple flushing flows and steady single discharges of the same total duration.

Spherical indentation hardness of shape memory alloys

Using dimensional analysis and the finite element method, the spherical indentation hardness of shape memory alloys (SMAs) is investigated. The scaling relationship between the hardness and the mechanical properties of a SMA, such as the forward transformation stress, the maximum transformation strain magnitude, has been derived. Numerical results demonstrated that the hardness increases with the indentation depth but there is no three-fold relationship between the hardness and the forward transformation stress. Increasing the maximum transformation strain magnitude would reduce the hardness of the material. These research results enhance our understanding of the hardness from the spherical indentation of SMAs.

Simplified physically based model for estimating effective floc density

This paper applies dimensional analysis to propose an alternative model for estimating the effective density of flocs (Δρf). The model takes into account the effective density of the primary particles, in addition to the sizes of the floc and primary particles, and does not consider the concept of self-similarity. The model contains three dimensionless products and two empirical parameters (αf and βf), which were calibrated by using data available in the literature. Values of αf=0.7 and βf=0.8 were obtained. The average value of the primary particle size (Dp) for the data used in the analysis, inferred from the new model, was found to vary from 0.05 μm to 100 μm with a mean value of 2.5 μm. Good comparisons were obtained in comparing the estimated floc-settling velocity on the basis of the proposed model for effective floc density with the measured value.

Three-dimensional atom probe analysis of solute distribution in thermomechanically processed TRIP steels

Complex multiphase microstructures were obtained in transformation induced plasticity C–Mn–Si–(Nb–Al–Mo) steels by simulated controlled thermomechanical processing. These microstructures were characterized using transmission electron microscopy, X-ray diffraction and three-dimensional atom probe tomography (APT), which was used to determine the partitioning of elements between different phases and microconstituents. The measured carbon concentration (not, vert, similar0.25 at%) in the ferrite of carbide-free bainite was higher than expected from para-equilibrium between the austenite and ferrite, while the concentrations of substitutional elements were the same as in the parent austenite suggesting that incomplete bainite transformation occurred. In contrast, the distribution of substitutional elements between the ferrite lath and austenite in carbide-containing bainite indicated a complete bainite reaction. The average carbon content in the retained austenite (3.2 ± 1.6 at%) was somewhat higher than the T0 limit. On the basis of the APT measured composition, the calculated Ms temperatures for retained austenite were above room temperature, indicating its low chemical stability.

Compositional dynamics of a commercial wine fermentation using two-dimensional FTIR correlation analysis

We have demonstrated that compositional changes occurring during a commercial red wine fermentation can be effectively monitored using FTIR spectroscopy and modelled with the aid of two-dimensional correlation techniques. This study represents a novel application of two-dimensional spectroscopy and showed that the reaction rates for the conversion of fructose and glucose to alcohol were different, with the latter being more rapid. The use of a simple three-component model serves to aid interpretation of the data and the results obtained confirm the value of two-dimensional FTIR correlation spectroscopy as a chemometric tool which has considerable potential for process monitoring.

Visual terrain analysis of high-dimensional datasets

Most real-world datasets are, to a certain degree, skewed. When considered that they are also large, they become the pinnacle challenge in data analysis. More importantly, we cannot ignore such datasets as they arise frequently in a wide variety of applications. Regardless of the analytic, it is often that the effectiveness of analysis can be improved if the characteristic of the dataset is known in advance. In this paper, we propose a novel technique to preprocess such datasets to obtain this insight. Our work is inspired by the resonance phenomenon, where similar objects resonate to a given response function. The key analytic result of our work is the data terrain, which shows properties of the dataset to enable effective and efficient analysis. We demonstrated our work in the context of various real-world problems. In doing so, we establish it as the tool for preprocessing data before applying computationally expensive algorithms.

3-dimensional characterization of membrane with nanoporous structure using TEM tomography and image analysis

The nanoporous structure of membrane varies in 3-dimensional (3-D) space and has remarkable influences on the filtration or desalination achieved, fouling potentials and therefore, the quality of yielded water. Knowledge of the 3-D nanoporous structure is thus vital to understanding and predicting its performance. A novel method by incorporating transmission electronic microtomography, image processing and 3-D reconstruction is introduced to characterize membranes with nano structures. The reconstruction algorithm allows for the visualization of 3-D nanoporous structure in a non-destructive way from any directions. This novel technique Ieads to in-depth understanding and accurate prediction of filtration performance.

3-dimensional characterization of membrane with nanoporous structure using TEM tomography and image analysis

The nanoporous structure of a membrane varies in a 3-dimensional (3-D) space and has remarkable influences on the filtration or desalination achieved, fouling potentials and therefore, the quality of yielded water. Knowledge of the 3-D nanoporous structure is thus vital to understanding and predicting its performance. A novel method by incorporating transmission electronic microtomography, image processing and 3-D reconstruction is introduced to characterize membranes with nano structures. The reconstruction algorithm allows for the visualization of 3-D nanoporous structure in a non-destructive way from any directions. This novel technique leads to in-depth understanding and accurate prediction of filtration performance.

The assessment of тт-тт selective stationary phases for two-dimensional HPLC analysis of foods : application to the analysis of coffee

Differences between alkyl, dipole–dipole, hydrogen bonding, and π-π selective surfaces represented by non-resonance and resonance π-stationary phases have been assessed for the separation of ‘Ristretto’ café espresso by employing 2DHPLC techniques with C18 phase selectivity detection. Geometric approach to factor analysis (GAFA) was used to measure the detected peaks (N), spreading angle (β), correlation, practical peak capacity (n_p) and percentage usage of the separations space, as an assessment of selectivity differences between regional quadrants of the two-dimensional separation plane. Although all tested systems were correlated to some degree to the C18 dimension, regional measurement of separation divergence revealed that performance of specific systems was better for certain sample components. The results illustrate that because of the complexity of the ‘real’ sample obtaining a truly orthogonal two-dimensional system for complex samples of natural origin may be practically impossible.

The analysis of café espresso using two-dimensional reversed phase–reversed phase high performance liquid chromatography with UV-absorbance and chemiluminescence detection

In this study, an activity based screening technique combining two-dimensional liquid chromatography (2DHPLC) with UV-absorbance and chemiluminescence detection was applied to study “Ristretto”, "Decaffeinatto” and “Volluto” espresso coffees. This technique, which coupled the separation power of 2DHPLC with the sensitivity and selectivity of the chemiluminescence detection, offers great potential for screening complex samples for antioxidant compounds. Detailed information regarding the complexity of the sample, and the variation between these three coffees could be obtained using this multidimensional-hyphenated method of analysis.