Generalised 2D-correlation NMR analysis of a wine fermentation

A wine fermentation has been monitored on a daily basis by 1H NMR spectroscopy. Following data pre-processing that includes synthesis of the spectra to ensure all peaks are of constant half-width, the series of spectra were examined using generalised two-dimensional correlation techniques. Synchronous and asynchronous data maps have been generated and employed to interpret the changes in the fermentation process as a function of time. The results illustrate the potential of high resolution NMR with multivariate data analysis as a tool for process monitoring and the manner in which two-dimensional correlation mapping can aid in data interpretation.

Realized volatility and correlation in grain futures markets: testing for spillover effects

Fluctuations in commodity prices are a major concern to many market participants. This paper uses realized volatility methods to calculate daily volatility and correlation estimates for three grain futures prices (corn, soybean, and wheat). The realized volatility estimates exhibit properties consistent with the stylized facts observed in earlier studies. According to daily realized correlations and regression coefficients, the spot returns from the three grain futures are positively related. The realized estimates are then used to evaluate the degree of volatility transmission across grain futures prices. The impulse response analysis is conducted by fitting the vector autoregressive model to realized volatility and correlation estimates, using the bootstrap method for statistical inference. The results indicate that rich dynamic interactions exist among the volatilities and correlations across the grain futures markets.

Waist circumference, waist-hip ratio and BMI and their correlation with cardiovascular risk factors in Australian adults

Objectives. To compare body mass index (BMI), waist circumference and waist–hip ratio (WHR) as indices of obesity and assess the respective associations with type 2 diabetes, hypertension and dyslipidaemia.

Design and setting. A national sample of 11 247 Australians aged ≥25 years was examined in 2000 in a cross-sectional survey.

Main outcome measures. The examination included a fasting blood sample, standard 2-h 75-g oral glucose tolerance test, blood pressure measurements and questionnaires to assess treatment for dyslipidaemia and hypertension. BMI, waist circumference and WHR were measured to assess overweight and obesity.

Results. The prevalence of obesity amongst Australian adults defined by BMI, waist circumference and WHR was 20.8, 30.5 and 15.8% respectively. The unadjusted odds ratio for the fourth vs. first quartile of each obesity measurement showed that WHR had the strongest relationship with type 2 diabetes, dyslipidaemia (women only) and hypertension. Following adjustment for age, however, there was little difference between the three measures of obesity, with the possible exceptions of hypertension in women, where BMI had a stronger association, and dyslipidaemia in women and type 2 diabetes in men, where WHR was marginally superior.

Conclusions. Waist circumference, BMI and WHR identified different proportions of the population, as measured by both prevalence of obesity and cardiovascular disease (CVD) risk factors. Whilst WHR had the strongest correlations with CVD risk factors before adjustment for age, the three obesity measures performed similarly after adjustment for age. Given the difficulty of using age-adjusted associations in the clinical setting, these results suggest that given appropriate cut-off points, WHR is the most useful measure of obesity to use to identify individuals with CVD risk factors.

Correlation between microstructure and phosphorus segregation in a hypereutectoid Wootz steel

The influence of bands rich in phosphorus on the microstructure of hypereutectoid Wootz steel implement is described. Electron probe micro-analysis is combined with optical microscopy. Phosphorus-rich bands are seen to correspond to regions of internal cracking, carbon depletion, and enhanced frequency of spheroidized cementite in place of pearlite. A rationale for the findings is presented in terms of the influence of phosphorus on the Fe–C phase diagram and on the rate of the eutectoid reaction.

Selection of working correlation structure and best model in GEE analyses of longitudinal data

The Generalized Estimating Equations (GEE) method is one of the most commonly used statistical methods for the analysis of longitudinal data in epidemiological studies. A working correlation structure for the repeated measures of the outcome variable of a subject needs to be specified by this method. However, statistical criteria for selecting the best correlation structure and the best subset of explanatory variables in GEE are only available recently because the GEE method is developed on the basis of quasi-likelihood theory. Maximum likelihood based model selection methods, such as the widely used Akaike Information Criterion (AIC), are not applicable to GEE directly. Pan (2001) proposed a selection method called QIC which can be used to select the best correlation structure and the best subset of explanatory variables. Based on the QIC method, we developed a computing program to calculate the QIC value for a range of different distributions, link functions and correlation structures. This program was written in Stata software. In this article, we introduce this program and demonstrate how to use it to select the most parsimonious model in GEE analyses of longitudinal data through several representative examples.

Dipole time correlation functions of the Stockmayer fluid in the microcanonical and canonical ensembles

Computer simulations of Stockmayer fluids were performed to generate dipole time correlation functions (TCF) at three temperatures and three dipole moments in both the microcanonical and canonical ensembles. The effect of Nosé constant-temperature dynamics on time-dependent quantities is discussed, and empirical results are given to show that the choice of thermal inertia parameter influences the speed with which a system moves through its phase space. The time correlation functions from the simulations were analyzed in terms of current theories for dipolar systems. A functional form is proposed to cover both the longtime and short-time behavior of the time correlation functions of dipoles. The relationship between this functional form and the dielectric function of the Stockmayer system is also discussed.

Correlation between acidic potassium permanganate chemiluminescence and in vitro cell culture assay : physiologically meaningful antioxidant activity

There is great interest in the activity of antioxidant molecules, including polyphenols, from food and plant sources. Acidic potassium permanganate chemiluminescence signal intensity was shown to predict the ability of polyphenols to positively act on cellular redox state and attenuate oxidative stress in cultured skeletal muscle cells.

A correlation study of subjective sensorial evaluation and objective softness measurement of wool fabrics

Comfort is one of the most important aspects of clothing, especially for next-to-skin garments such as shirts and trousers for summer. Sensorial comfort has a strong relationship with both the mechanical and surface properties of apparel fabric. A comfortable textile material should have properties of softness, smooth surface or texture, be pleasant to touch and very flexible. When assessing fabric handle subjectively, the assessor usually strokes the fabric surface with one or several fingers and squash the fabric gently in hand. Thus, the perception of such handle includes complex parameters of compression, tactile sensation and textural effect. In this work, we attempted to use a simple technique of objectively evaluating fabric softness related properties, by measuring the force required to pull a fabric strip through a series of parallel pins (the pulling force). We also subjectively rated the fabric handle. The correlation analysis showed very good agreement between the fabric pulling force and subjective hand rating.

Correlation between shoulder flow zone quality and material flow quantity during friction stir welding of thick aluminum section using scroll shoulder tool

The so-called scroll shoulder tool is widely used particularly for thick section friction stir welding (FSW). However, the correlation between its shoulder flow zone weld quality and material flow quantity remains unclear. This information is important for tool design. In the present study, a scroll shoulder tool was used to FSW 20mm thick 6061 aluminum (Al) plates at a range of welding parameters. The pick-up material (PUM) by the scroll was quantified, and the effect of welding parameters and PUM on the shoulder flow zone formation and weld quality was studied. It was found that there is a positive linear relationship between the PUM and weld quality. In order to obtain a defect-free FSW weld produced by the scroll shoulder tool, scroll groove needs to be fully filled by PUM.

Analytic solution for the three-layer multiple beam interferometer

We present a simple analytic solution for the condition of constructive interference for light transmitted through an interferometer incorporating three ideally transparent layers of arbitrary thickness and refractive index. We also consider the effect of adding two metallic coatings to the outer surfaces of the interferometer and give empirical expressions for the associated phase changes for silver coatings on silica, sapphire, and mica substrates. A particular application to fringes of equal chromatic order can be utilized to obtain precise measurements of the thickness of extremely thin films sandwiched between two substrates.

Investigating the effect of solution pH on speciation of La(4OH-cin)3 with correlation to electrochemical behaviour and corrosion efficiency

The nature of the species in solution plays a major role on the effectiveness of the corrosion inhibitor on a steel substrate. The speciation of lanthanum 4-hydroxy cinnamate (La(4OHCin) ₃) in solution has been evaluated using experimental techniques composed of potentiodynamic polarisation, immersion tests, nuclear magnetic spectroscopy and mass spectroscopy. It is evident that the species in solution are dependent on pH and this impacts the corrosion inhibition mechanism and the efficiency. It was found that at a neutral pH of 5.5 the La(4OH-Cin)₃ behaves as a strong anodic inhibitor. Whereas, when the pH shifts to low (pH2.5) and/or high (pH8) the corrosion mechanism changes.

Two-dimensional correlation localized surface plasmon resonance spectroscopy for analysis of the interaction between metal nanoparticles and bovine serum albumin

Time-resolved extinction spectra assisted with two-dimensional correlation spectroscopy (2DCOS) analysis and principal component analysis (PCA) were employed to investigate the interaction between bovine serum albumin (BSA) and metal nanoparticles (NPs). A series of localized surface plasmon resonance (LSPR) spectra of metal NPs were measured just after a small amount of BSA was added into metal colloids. Through 2DCOS analysis, remarkable changes in the intensities of the LSPR were observed. The interaction process was totally divided into three periods according to the PCA. Transmission electron microscopy, dynamic light scattering, and ζ-potential measurements were also employed to characterize the interaction between BSA and metal NPs. The addition of BSA brings silver NPs to aggregate through the electrostatic interaction between them, but it has less effect on gold NPs. In a gold and silver mixed system, gold NPs can affect the interaction of silver NPs and BSA, leading it to weaken. The combination of 2DCOS analysis and LSPR spectroscopy is powerful for exploring the LSPR spectra of the metal NP involved systems. This combined technique holds great potential in LSPR sensing through analysis of slight, slim spectral changes of metal colloids