Impacts of land use change on watershed streamflow and sediment yield: An assessment using hydrologic modelling and partial least squares regression

NASA Astrophysics Data System (ADS)

Yan, B.; Fang, N. F.; Zhang, P. C.; Shi, Z. H.

2013-03-01

SummaryUnderstanding how changes in individual land use types influence the dynamics of streamflow and sediment yield would greatly improve the predictability of the hydrological consequences of land use changes and could thus help stakeholders to make better decisions. Multivariate statistics are commonly used to compare individual land use types to control the dynamics of streamflow or sediment yields. However, one issue with the use of conventional statistical methods to address relationships between land use types and streamflow or sediment yield is multicollinearity. In this study, an integrated approach involving hydrological modelling and partial least squares regression (PLSR) was used to quantify the contributions of changes in individual land use types to changes in streamflow and sediment yield. In a case study, hydrological modelling was conducted using land use maps from four time periods (1978, 1987, 1999, and 2007) for the Upper Du watershed (8973 km2) in China using the Soil and Water Assessment Tool (SWAT). Changes in streamflow and sediment yield across the two simulations conducted using the land use maps from 2007 to 1978 were found to be related to land use changes according to a PLSR, which was used to quantify the effect of this influence at the sub-basin scale. The major land use changes that affected streamflow in the studied catchment areas were related to changes in the farmland, forest and urban areas between 1978 and 2007; the corresponding regression coefficients were 0.232, -0.147 and 1.256, respectively, and the Variable Influence on Projection (VIP) was greater than 1. The dominant first-order factors affecting the changes in sediment yield in our study were: farmland (the VIP and regression coefficient were 1.762 and 14.343, respectively) and forest (the VIP and regression coefficient were 1.517 and -7.746, respectively). The PLSR methodology presented in this paper is beneficial and novel, as it partially eliminates the co-dependency of the variables and facilitates a more unbiased view of the contribution of the changes in individual land use types to changes in streamflow and sediment yield. This practicable and simple approach could be applied to a variety of other watersheds for which time-sequenced digital land use maps are available.

ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches.

PubMed

Sharma, Ashok K; Srivastava, Gopal N; Roy, Ankita; Sharma, Vineet K

2017-01-01

The experimental methods for the prediction of molecular toxicity are tedious and time-consuming tasks. Thus, the computational approaches could be used to develop alternative methods for toxicity prediction. We have developed a tool for the prediction of molecular toxicity along with the aqueous solubility and permeability of any molecule/metabolite. Using a comprehensive and curated set of toxin molecules as a training set, the different chemical and structural based features such as descriptors and fingerprints were exploited for feature selection, optimization and development of machine learning based classification and regression models. The compositional differences in the distribution of atoms were apparent between toxins and non-toxins, and hence, the molecular features were used for the classification and regression. On 10-fold cross-validation, the descriptor-based, fingerprint-based and hybrid-based classification models showed similar accuracy (93%) and Matthews's correlation coefficient (0.84). The performances of all the three models were comparable (Matthews's correlation coefficient = 0.84-0.87) on the blind dataset. In addition, the regression-based models using descriptors as input features were also compared and evaluated on the blind dataset. Random forest based regression model for the prediction of solubility performed better ( R 2 = 0.84) than the multi-linear regression (MLR) and partial least square regression (PLSR) models, whereas, the partial least squares based regression model for the prediction of permeability (caco-2) performed better ( R 2 = 0.68) in comparison to the random forest and MLR based regression models. The performance of final classification and regression models was evaluated using the two validation datasets including the known toxins and commonly used constituents of health products, which attests to its accuracy. The ToxiM web server would be a highly useful and reliable tool for the prediction of toxicity, solubility, and permeability of small molecules.

ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches

PubMed Central

Sharma, Ashok K.; Srivastava, Gopal N.; Roy, Ankita; Sharma, Vineet K.

2017-01-01

The experimental methods for the prediction of molecular toxicity are tedious and time-consuming tasks. Thus, the computational approaches could be used to develop alternative methods for toxicity prediction. We have developed a tool for the prediction of molecular toxicity along with the aqueous solubility and permeability of any molecule/metabolite. Using a comprehensive and curated set of toxin molecules as a training set, the different chemical and structural based features such as descriptors and fingerprints were exploited for feature selection, optimization and development of machine learning based classification and regression models. The compositional differences in the distribution of atoms were apparent between toxins and non-toxins, and hence, the molecular features were used for the classification and regression. On 10-fold cross-validation, the descriptor-based, fingerprint-based and hybrid-based classification models showed similar accuracy (93%) and Matthews's correlation coefficient (0.84). The performances of all the three models were comparable (Matthews's correlation coefficient = 0.84–0.87) on the blind dataset. In addition, the regression-based models using descriptors as input features were also compared and evaluated on the blind dataset. Random forest based regression model for the prediction of solubility performed better (R2 = 0.84) than the multi-linear regression (MLR) and partial least square regression (PLSR) models, whereas, the partial least squares based regression model for the prediction of permeability (caco-2) performed better (R2 = 0.68) in comparison to the random forest and MLR based regression models. The performance of final classification and regression models was evaluated using the two validation datasets including the known toxins and commonly used constituents of health products, which attests to its accuracy. The ToxiM web server would be a highly useful and reliable tool for the prediction of toxicity, solubility, and permeability of small molecules. PMID:29249969

The consequences of ignoring measurement invariance for path coefficients in structural equation models

PubMed Central

Guenole, Nigel; Brown, Anna

2014-01-01

We report a Monte Carlo study examining the effects of two strategies for handling measurement non-invariance – modeling and ignoring non-invariant items – on structural regression coefficients between latent variables measured with item response theory models for categorical indicators. These strategies were examined across four levels and three types of non-invariance – non-invariant loadings, non-invariant thresholds, and combined non-invariance on loadings and thresholds – in simple, partial, mediated and moderated regression models where the non-invariant latent variable occupied predictor, mediator, and criterion positions in the structural regression models. When non-invariance is ignored in the latent predictor, the focal group regression parameters are biased in the opposite direction to the difference in loadings and thresholds relative to the referent group (i.e., lower loadings and thresholds for the focal group lead to overestimated regression parameters). With criterion non-invariance, the focal group regression parameters are biased in the same direction as the difference in loadings and thresholds relative to the referent group. While unacceptable levels of parameter bias were confined to the focal group, bias occurred at considerably lower levels of ignored non-invariance than was previously recognized in referent and focal groups. PMID:25278911

[Estimation of organic matter content of north fluvo-aquic soil based on the coupling model of wavelet transform and partial least squares].

PubMed

Wang, Yan-Cang; Yang, Gui-Jun; Zhu, Jin-Shan; Gu, Xiao-He; Xu, Peng; Liao, Qin-Hong

2014-07-01

For improving the estimation accuracy of soil organic matter content of the north fluvo-aquic soil, wavelet transform technology is introduced. The soil samples were collected from Tongzhou district and Shunyi district in Beijing city. And the data source is from soil hyperspectral data obtained under laboratory condition. First, discrete wavelet transform efficiently decomposes hyperspectral into approximate coefficients and detail coefficients. Then, the correlation between approximate coefficients, detail coefficients and organic matter content was analyzed, and the sensitive bands of the organic matter were screened. Finally, models were established to estimate the soil organic content by using the partial least squares regression (PLSR). Results show that the NIR bands made more contributions than the visible band in estimating organic matter content models; the ability of approximate coefficients to estimate organic matter content is better than that of detail coefficients; The estimation precision of the detail coefficients fir soil organic matter content decreases with the spectral resolution being lower; Compared with the commonly used three types of soil spectral reflectance transforms, the wavelet transform can improve the estimation ability of soil spectral fir organic content; The accuracy of the best model established by the approximate coefficients or detail coefficients is higher, and the coefficient of determination (R2) and the root mean square error (RMSE) of the best model for approximate coefficients are 0.722 and 0.221, respectively. The R2 and RMSE of the best model for detail coefficients are 0.670 and 0.255, respectively.

Structured penalties for functional linear models-partially empirical eigenvectors for regression.

PubMed

Randolph, Timothy W; Harezlak, Jaroslaw; Feng, Ziding

2012-01-01

One of the challenges with functional data is incorporating geometric structure, or local correlation, into the analysis. This structure is inherent in the output from an increasing number of biomedical technologies, and a functional linear model is often used to estimate the relationship between the predictor functions and scalar responses. Common approaches to the problem of estimating a coefficient function typically involve two stages: regularization and estimation. Regularization is usually done via dimension reduction, projecting onto a predefined span of basis functions or a reduced set of eigenvectors (principal components). In contrast, we present a unified approach that directly incorporates geometric structure into the estimation process by exploiting the joint eigenproperties of the predictors and a linear penalty operator. In this sense, the components in the regression are 'partially empirical' and the framework is provided by the generalized singular value decomposition (GSVD). The form of the penalized estimation is not new, but the GSVD clarifies the process and informs the choice of penalty by making explicit the joint influence of the penalty and predictors on the bias, variance and performance of the estimated coefficient function. Laboratory spectroscopy data and simulations are used to illustrate the concepts.

Durbin-Watson partial least-squares regression applied to MIR data on adulteration with edible oils of different origins.

PubMed

Jović, Ozren

2016-12-15

A novel method for quantitative prediction and variable-selection on spectroscopic data, called Durbin-Watson partial least-squares regression (dwPLS), is proposed in this paper. The idea is to inspect serial correlation in infrared data that is known to consist of highly correlated neighbouring variables. The method selects only those variables whose intervals have a lower Durbin-Watson statistic (dw) than a certain optimal cutoff. For each interval, dw is calculated on a vector of regression coefficients. Adulteration of cold-pressed linseed oil (L), a well-known nutrient beneficial to health, is studied in this work by its being mixed with cheaper oils: rapeseed oil (R), sesame oil (Se) and sunflower oil (Su). The samples for each botanical origin of oil vary with respect to producer, content and geographic origin. The results obtained indicate that MIR-ATR, combined with dwPLS could be implemented to quantitative determination of edible-oil adulteration. Copyright © 2016 Elsevier Ltd. All rights reserved.

Detection of melamine in milk powders using near-infrared hyperspectral imaging combined with regression coefficient of partial least square regression model.

PubMed

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Kim, Moon S; Chao, Kuanglin; Qin, Jianwei; Fu, Xiaping; Baek, Insuck; Cho, Byoung-Kwan

2016-05-01

Illegal use of nitrogen-rich melamine (C3H6N6) to boost perceived protein content of food products such as milk, infant formula, frozen yogurt, pet food, biscuits, and coffee drinks has caused serious food safety problems. Conventional methods to detect melamine in foods, such as Enzyme-linked immunosorbent assay (ELISA), High-performance liquid chromatography (HPLC), and Gas chromatography-mass spectrometry (GC-MS), are sensitive but they are time-consuming, expensive, and labor-intensive. In this research, near-infrared (NIR) hyperspectral imaging technique combined with regression coefficient of partial least squares regression (PLSR) model was used to detect melamine particles in milk powders easily and quickly. NIR hyperspectral reflectance imaging data in the spectral range of 990-1700nm were acquired from melamine-milk powder mixture samples prepared at various concentrations ranging from 0.02% to 1%. PLSR models were developed to correlate the spectral data (independent variables) with melamine concentration (dependent variables) in melamine-milk powder mixture samples. PLSR models applying various pretreatment methods were used to reconstruct the two-dimensional PLS images. PLS images were converted to the binary images to detect the suspected melamine pixels in milk powder. As the melamine concentration was increased, the numbers of suspected melamine pixels of binary images were also increased. These results suggested that NIR hyperspectral imaging technique and the PLSR model can be regarded as an effective tool to detect melamine particles in milk powders. Copyright © 2016 Elsevier B.V. All rights reserved.

Lead exposure and the 2010 achievement test scores of children in New York counties

PubMed Central

2012-01-01

Background Lead is toxic to cognitive and behavioral functioning in children even at levels well below those producing physical symptoms. Continuing efforts in the U.S. since about the 1970s to reduce lead exposure in children have dramatically reduced the incidence of elevated blood lead levels (with elevated levels defined by the current U.S. Centers for Disease Control threshold of 10 μg/dl). The current study examines how much lead toxicity continues to impair the academic achievement of children of New York State, using 2010 test data. Methods This study relies on three sets of data published for the 57 New York counties outside New York City: school achievement data from the New York State Department of Education, data on incidence of elevated blood lead levels from the New York State Department of Health, and data on income from the U.S. Census Bureau. We studied third grade and eighth grade test scores in English Language Arts and mathematics. Using the county as the unit of analysis, we computed bivariate correlations and regression coefficients, with percent of children achieving at the lowest reported level as the dependent variable and the percent of preschoolers in the county with elevated blood lead levels as the independent variable. Then we repeated those analyses using partial correlations to control for possible confounding effects of family income, and using multiple regressions with income included. Results The bivariate correlations between incidence of elevated lead and number of children in the lowest achievement group ranged between 0.38 and 0.47. The partial correlations ranged from 0.29 to 0.40. The regression coefficients, both bivariate and partial (both estimating the increase in percent of children in the lowest achievement group for every percent increase in the children with elevated blood lead levels), ranged from 0.52 to 1.31. All regression coefficients, when rounded to the nearest integer, were approximately 1. Thus, when the percent of children showing elevated lead increases by one percent, the percent of children in the lowest achievement group, according to the regression equations generated, also increases by about one percent. All associations were significant at the 0.05 level. Conclusion Despite public health advances, and despite the imprecision of measures, an association between the incidence of elevated blood lead and achievement in New York counties is still apparent, not attributable to confounding by income. Efforts to reduce lead exposure should persist with vigor. PMID:22269775

External characteristic determination of eggs and cracked eggs identification using spectral signature

PubMed Central

Xie, Chuanqi; He, Yong

2016-01-01

This study was carried out to use hyperspectral imaging technique for determining color (L*, a* and b*) and eggshell strength and identifying cracked chicken eggs. Partial least squares (PLS) models based on full and selected wavelengths suggested by regression coefficient (RC) method were established to predict the four parameters, respectively. Partial least squares-discriminant analysis (PLS-DA) and RC-partial least squares-discriminant analysis (RC-PLS-DA) models were applied to identify cracked eggs. PLS models performed well with the correlation coefficient (rp) of 0.788 for L*, 0.810 for a*, 0.766 for b* and 0.835 for eggshell strength. RC-PLS models also obtained the rp of 0.771 for L*, 0.806 for a*, 0.767 for b* and 0.841 for eggshell strength. The classification results were 97.06% in PLS-DA model and 88.24% in RC-PLS-DA model. It demonstrated that hyperspectral imaging technique has the potential to be used to detect color and eggshell strength values and identify cracked chicken eggs. PMID:26882990

Impact of measurement invariance on construct correlations, mean differences, and relations with external correlates: an illustrative example using Big Five and RIASEC measures.

PubMed

Schmitt, Neal; Golubovich, Juliya; Leong, Frederick T L

2011-12-01

The impact of measurement invariance and the provision for partial invariance in confirmatory factor analytic models on factor intercorrelations, latent mean differences, and estimates of relations with external variables is investigated for measures of two sets of widely assessed constructs: Big Five personality and the six Holland interests (RIASEC). In comparing models that include provisions for partial invariance with models that do not, the results indicate quite small differences in parameter estimates involving the relations between factors, one relatively large standardized mean difference in factors between the subgroups compared and relatively small differences in the regression coefficients when the factors are used to predict external variables. The results provide support for the use of partially invariant models, but there does not seem to be a great deal of difference between structural coefficients when the measurement model does or does not include separate estimates of subgroup parameters that differ across subgroups. Future research should include simulations in which the impact of various factors related to invariance is estimated.

Intrinsic Raman spectroscopy for quantitative biological spectroscopy Part II

PubMed Central

Bechtel, Kate L.; Shih, Wei-Chuan; Feld, Michael S.

2009-01-01

We demonstrate the effectiveness of intrinsic Raman spectroscopy (IRS) at reducing errors caused by absorption and scattering. Physical tissue models, solutions of varying absorption and scattering coefficients with known concentrations of Raman scatterers, are studied. We show significant improvement in prediction error by implementing IRS to predict concentrations of Raman scatterers using both ordinary least squares regression (OLS) and partial least squares regression (PLS). In particular, we show that IRS provides a robust calibration model that does not increase in error when applied to samples with optical properties outside the range of calibration. PMID:18711512

Meteorological adjustment of yearly mean values for air pollutant concentration comparison

NASA Technical Reports Server (NTRS)

Sidik, S. M.; Neustadter, H. E.

1976-01-01

Using multiple linear regression analysis, models which estimate mean concentrations of Total Suspended Particulate (TSP), sulfur dioxide, and nitrogen dioxide as a function of several meteorologic variables, two rough economic indicators, and a simple trend in time are studied. Meteorologic data were obtained and do not include inversion heights. The goodness of fit of the estimated models is partially reflected by the squared coefficient of multiple correlation which indicates that, at the various sampling stations, the models accounted for about 23 to 47 percent of the total variance of the observed TSP concentrations. If the resulting model equations are used in place of simple overall means of the observed concentrations, there is about a 20 percent improvement in either: (1) predicting mean concentrations for specified meteorological conditions; or (2) adjusting successive yearly averages to allow for comparisons devoid of meteorological effects. An application to source identification is presented using regression coefficients of wind velocity predictor variables.

ORACLE INEQUALITIES FOR THE LASSO IN THE COX MODEL

PubMed Central

Huang, Jian; Sun, Tingni; Ying, Zhiliang; Yu, Yi; Zhang, Cun-Hui

2013-01-01

We study the absolute penalized maximum partial likelihood estimator in sparse, high-dimensional Cox proportional hazards regression models where the number of time-dependent covariates can be larger than the sample size. We establish oracle inequalities based on natural extensions of the compatibility and cone invertibility factors of the Hessian matrix at the true regression coefficients. Similar results based on an extension of the restricted eigenvalue can be also proved by our method. However, the presented oracle inequalities are sharper since the compatibility and cone invertibility factors are always greater than the corresponding restricted eigenvalue. In the Cox regression model, the Hessian matrix is based on time-dependent covariates in censored risk sets, so that the compatibility and cone invertibility factors, and the restricted eigenvalue as well, are random variables even when they are evaluated for the Hessian at the true regression coefficients. Under mild conditions, we prove that these quantities are bounded from below by positive constants for time-dependent covariates, including cases where the number of covariates is of greater order than the sample size. Consequently, the compatibility and cone invertibility factors can be treated as positive constants in our oracle inequalities. PMID:24086091

ORACLE INEQUALITIES FOR THE LASSO IN THE COX MODEL.

PubMed

Huang, Jian; Sun, Tingni; Ying, Zhiliang; Yu, Yi; Zhang, Cun-Hui

2013-06-01

We study the absolute penalized maximum partial likelihood estimator in sparse, high-dimensional Cox proportional hazards regression models where the number of time-dependent covariates can be larger than the sample size. We establish oracle inequalities based on natural extensions of the compatibility and cone invertibility factors of the Hessian matrix at the true regression coefficients. Similar results based on an extension of the restricted eigenvalue can be also proved by our method. However, the presented oracle inequalities are sharper since the compatibility and cone invertibility factors are always greater than the corresponding restricted eigenvalue. In the Cox regression model, the Hessian matrix is based on time-dependent covariates in censored risk sets, so that the compatibility and cone invertibility factors, and the restricted eigenvalue as well, are random variables even when they are evaluated for the Hessian at the true regression coefficients. Under mild conditions, we prove that these quantities are bounded from below by positive constants for time-dependent covariates, including cases where the number of covariates is of greater order than the sample size. Consequently, the compatibility and cone invertibility factors can be treated as positive constants in our oracle inequalities.

Raman spectroscopy-based screening of hepatitis C and associated molecular changes

NASA Astrophysics Data System (ADS)

Bilal, Maria; Bilal, M.; Saleem, M.; Khan, Saranjam; Ullah, Rahat; Fatima, Kiran; Ahmed, M.; Hayat, Abbas; Shahzada, Shaista; Ullah Khan, Ehsan

2017-09-01

This study presents the optical screening of hepatitis C and its associated molecular changes in human blood sera using a partial least-squares regression model based on their Raman spectra. In total, 152 samples were tested through enzyme-linked immunosorbent assay for confirmation. This model utilizes minor spectral variations in the Raman spectra of the positive and control groups. Regression coefficients of this model were analyzed with reference to the variations in concentration of associated molecules in these two groups. It was found that trehalose, chitin, ammonia, and cytokines are positively correlated while lipids, beta structures of proteins, and carbohydrate-binding proteins are negatively correlated with hepatitis C. The regression vector yielded by this model is utilized to predict hepatitis C in unknown samples. This model has been evaluated by a cross-validation method, which yielded a correlation coefficient of 0.91. Moreover, 30 unknown samples were screened for hepatitis C infection using this model to test its performance. Sensitivity, specificity, accuracy, and area under the receiver operating characteristic curve from these predictions were found to be 93.3%, 100%, 96.7%, and 1, respectively.

Multi-parameters monitoring during traditional Chinese medicine concentration process with near infrared spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Liu, Ronghua; Sun, Qiaofeng; Hu, Tian; Li, Lian; Nie, Lei; Wang, Jiayue; Zhou, Wanhui; Zang, Hengchang

2018-03-01

As a powerful process analytical technology (PAT) tool, near infrared (NIR) spectroscopy has been widely used in real-time monitoring. In this study, NIR spectroscopy was applied to monitor multi-parameters of traditional Chinese medicine (TCM) Shenzhiling oral liquid during the concentration process to guarantee the quality of products. Five lab scale batches were employed to construct quantitative models to determine five chemical ingredients and physical change (samples density) during concentration process. The paeoniflorin, albiflorin, liquiritin and samples density were modeled by partial least square regression (PLSR), while the content of the glycyrrhizic acid and cinnamic acid were modeled by support vector machine regression (SVMR). Standard normal variate (SNV) and/or Savitzkye-Golay (SG) smoothing with derivative methods were adopted for spectra pretreatment. Variable selection methods including correlation coefficient (CC), competitive adaptive reweighted sampling (CARS) and interval partial least squares regression (iPLS) were performed for optimizing the models. The results indicated that NIR spectroscopy was an effective tool to successfully monitoring the concentration process of Shenzhiling oral liquid.

Sensitivity Analysis of the Integrated Medical Model for ISS Programs

NASA Technical Reports Server (NTRS)

Goodenow, D. A.; Myers, J. G.; Arellano, J.; Boley, L.; Garcia, Y.; Saile, L.; Walton, M.; Kerstman, E.; Reyes, D.; Young, M.

2016-01-01

Sensitivity analysis estimates the relative contribution of the uncertainty in input values to the uncertainty of model outputs. Partial Rank Correlation Coefficient (PRCC) and Standardized Rank Regression Coefficient (SRRC) are methods of conducting sensitivity analysis on nonlinear simulation models like the Integrated Medical Model (IMM). The PRCC method estimates the sensitivity using partial correlation of the ranks of the generated input values to each generated output value. The partial part is so named because adjustments are made for the linear effects of all the other input values in the calculation of correlation between a particular input and each output. In SRRC, standardized regression-based coefficients measure the sensitivity of each input, adjusted for all the other inputs, on each output. Because the relative ranking of each of the inputs and outputs is used, as opposed to the values themselves, both methods accommodate the nonlinear relationship of the underlying model. As part of the IMM v4.0 validation study, simulations are available that predict 33 person-missions on ISS and 111 person-missions on STS. These simulated data predictions feed the sensitivity analysis procedures. The inputs to the sensitivity procedures include the number occurrences of each of the one hundred IMM medical conditions generated over the simulations and the associated IMM outputs: total quality time lost (QTL), number of evacuations (EVAC), and number of loss of crew lives (LOCL). The IMM team will report the results of using PRCC and SRRC on IMM v4.0 predictions of the ISS and STS missions created as part of the external validation study. Tornado plots will assist in the visualization of the condition-related input sensitivities to each of the main outcomes. The outcomes of this sensitivity analysis will drive review focus by identifying conditions where changes in uncertainty could drive changes in overall model output uncertainty. These efforts are an integral part of the overall verification, validation, and credibility review of IMM v4.0.

Gas Chromatography Data Classification Based on Complex Coefficients of an Autoregressive Model

DOE PAGES

Zhao, Weixiang; Morgan, Joshua T.; Davis, Cristina E.

2008-01-01

This paper introduces autoregressive (AR) modeling as a novel method to classify outputs from gas chromatography (GC). The inverse Fourier transformation was applied to the original sensor data, and then an AR model was applied to transform data to generate AR model complex coefficients. This series of coefficients effectively contains a compressed version of all of the information in the original GC signal output. We applied this method to chromatograms resulting from proliferating bacteria species grown in culture. Three types of neural networks were used to classify the AR coefficients: backward propagating neural network (BPNN), radial basis function-principal component analysismore » (RBF-PCA) approach, and radial basis function-partial least squares regression (RBF-PLSR) approach. This exploratory study demonstrates the feasibility of using complex root coefficient patterns to distinguish various classes of experimental data, such as those from the different bacteria species. This cognition approach also proved to be robust and potentially useful for freeing us from time alignment of GC signals.« less

Estimation of lung tumor position from multiple anatomical features on 4D-CT using multiple regression analysis.

PubMed

Ono, Tomohiro; Nakamura, Mitsuhiro; Hirose, Yoshinori; Kitsuda, Kenji; Ono, Yuka; Ishigaki, Takashi; Hiraoka, Masahiro

2017-09-01

To estimate the lung tumor position from multiple anatomical features on four-dimensional computed tomography (4D-CT) data sets using single regression analysis (SRA) and multiple regression analysis (MRA) approach and evaluate an impact of the approach on internal target volume (ITV) for stereotactic body radiotherapy (SBRT) of the lung. Eleven consecutive lung cancer patients (12 cases) underwent 4D-CT scanning. The three-dimensional (3D) lung tumor motion exceeded 5 mm. The 3D tumor position and anatomical features, including lung volume, diaphragm, abdominal wall, and chest wall positions, were measured on 4D-CT images. The tumor position was estimated by SRA using each anatomical feature and MRA using all anatomical features. The difference between the actual and estimated tumor positions was defined as the root-mean-square error (RMSE). A standard partial regression coefficient for the MRA was evaluated. The 3D lung tumor position showed a high correlation with the lung volume (R = 0.92 ± 0.10). Additionally, ITVs derived from SRA and MRA approaches were compared with ITV derived from contouring gross tumor volumes on all 10 phases of the 4D-CT (conventional ITV). The RMSE of the SRA was within 3.7 mm in all directions. Also, the RMSE of the MRA was within 1.6 mm in all directions. The standard partial regression coefficient for the lung volume was the largest and had the most influence on the estimated tumor position. Compared with conventional ITV, average percentage decrease of ITV were 31.9% and 38.3% using SRA and MRA approaches, respectively. The estimation accuracy of lung tumor position was improved by the MRA approach, which provided smaller ITV than conventional ITV. © 2017 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Factors associated with blood oxygen partial pressure and carbon dioxide partial pressure regulation during respiratory extracorporeal membrane oxygenation support: data from a swine model.

PubMed

Park, Marcelo; Mendes, Pedro Vitale; Costa, Eduardo Leite Vieira; Barbosa, Edzangela Vasconcelos Santos; Hirota, Adriana Sayuri; Azevedo, Luciano Cesar Pontes

2016-01-01

The aim of this study was to explore the factors associated with blood oxygen partial pressure and carbon dioxide partial pressure. The factors associated with oxygen - and carbon dioxide regulation were investigated in an apneic pig model under veno-venous extracorporeal membrane oxygenation support. A predefined sequence of blood and sweep flows was tested. Oxygenation was mainly associated with extracorporeal membrane oxygenation blood flow (beta coefficient = 0.036mmHg/mL/min), cardiac output (beta coefficient = -11.970mmHg/L/min) and pulmonary shunting (beta coefficient = -0.232mmHg/%). Furthermore, the initial oxygen partial pressure and carbon dioxide partial pressure measurements were also associated with oxygenation, with beta coefficients of 0.160 and 0.442mmHg/mmHg, respectively. Carbon dioxide partial pressure was associated with cardiac output (beta coefficient = 3.578mmHg/L/min), sweep gas flow (beta coefficient = -2.635mmHg/L/min), temperature (beta coefficient = 4.514mmHg/ºC), initial pH (beta coefficient = -66.065mmHg/0.01 unit) and hemoglobin (beta coefficient = 6.635mmHg/g/dL). In conclusion, elevations in blood and sweep gas flows in an apneic veno-venous extracorporeal membrane oxygenation model resulted in an increase in oxygen partial pressure and a reduction in carbon dioxide partial pressure 2, respectively. Furthermore, without the possibility of causal inference, oxygen partial pressure was negatively associated with pulmonary shunting and cardiac output, and carbon dioxide partial pressure was positively associated with cardiac output, core temperature and initial hemoglobin.

Inverse roles of emotional labour on health and job satisfaction among long-term care workers in Japan.

PubMed

Tsukamoto, Erika; Abe, Takeru; Ono, Michikazu

2015-01-01

Emotional labour increases among long-term care workers because providing care and services to impaired elders causes conflicting interpersonal emotions. Thus, we investigated the associations between emotional labour, general health and job satisfaction among long-term care workers. We conducted a cross-sectional study among 132 established, private day care centres in Tokyo using a mail survey. The outcome variables included two health-related variables and four job satisfaction variables: physical and psychological health, satisfaction with wages, interpersonal relationships, work environment and job satisfaction. We performed multiple regression analyses to identify significant factors. Directors from 36 facilities agreed to participate. A total of 123 responses from long-term care workers were analysed. Greater emotional dissonance was associated with better physical and psychological health and worse work environment satisfaction (partial regression coefficient: -2.93, p = .0389; -3.32, p = .0299; -1.92, p = .0314, respectively). Fewer negative emotions were associated with more job satisfaction (partial regression coefficient: -1.87, p = .0163). We found that emotional labour was significantly inversely associated with health and job satisfaction. Our findings indicated that the emotional labour of long-term care workers has a negative and positive influence on health and workplace satisfaction, and suggests that care quality and stable employment among long-term care workers might affect their emotional labour. Therefore, we think a programme to support emotional labour among long-term care workers in an organized manner and a self-care programme to educate workers regarding emotional labour would be beneficial.

Application of Visible and Near-Infrared Hyperspectral Imaging to Determine Soluble Protein Content in Oilseed Rape Leaves

PubMed Central

Zhang, Chu; Liu, Fei; Kong, Wenwen; He, Yong

2015-01-01

Visible and near-infrared hyperspectral imaging covering spectral range of 380–1030 nm as a rapid and non-destructive method was applied to estimate the soluble protein content of oilseed rape leaves. Average spectrum (500–900 nm) of the region of interest (ROI) of each sample was extracted, and four samples out of 128 samples were defined as outliers by Monte Carlo-partial least squares (MCPLS). Partial least squares (PLS) model using full spectra obtained dependable performance with the correlation coefficient (rp) of 0.9441, root mean square error of prediction (RMSEP) of 0.1658 mg/g and residual prediction deviation (RPD) of 2.98. The weighted regression coefficient (Bw), successive projections algorithm (SPA) and genetic algorithm-partial least squares (GAPLS) selected 18, 15, and 16 sensitive wavelengths, respectively. SPA-PLS model obtained the best performance with rp of 0.9554, RMSEP of 0.1538 mg/g and RPD of 3.25. Distribution of protein content within the rape leaves were visualized and mapped on the basis of the SPA-PLS model. The overall results indicated that hyperspectral imaging could be used to determine and visualize the soluble protein content of rape leaves. PMID:26184198

Factors associated with blood oxygen partial pressure and carbon dioxide partial pressure regulation during respiratory extracorporeal membrane oxygenation support: data from a swine model

PubMed Central

Park, Marcelo; Mendes, Pedro Vitale; Costa, Eduardo Leite Vieira; Barbosa, Edzangela Vasconcelos Santos; Hirota, Adriana Sayuri; Azevedo, Luciano Cesar Pontes

2016-01-01

Objective The aim of this study was to explore the factors associated with blood oxygen partial pressure and carbon dioxide partial pressure. Methods The factors associated with oxygen - and carbon dioxide regulation were investigated in an apneic pig model under veno-venous extracorporeal membrane oxygenation support. A predefined sequence of blood and sweep flows was tested. Results Oxygenation was mainly associated with extracorporeal membrane oxygenation blood flow (beta coefficient = 0.036mmHg/mL/min), cardiac output (beta coefficient = -11.970mmHg/L/min) and pulmonary shunting (beta coefficient = -0.232mmHg/%). Furthermore, the initial oxygen partial pressure and carbon dioxide partial pressure measurements were also associated with oxygenation, with beta coefficients of 0.160 and 0.442mmHg/mmHg, respectively. Carbon dioxide partial pressure was associated with cardiac output (beta coefficient = 3.578mmHg/L/min), sweep gas flow (beta coefficient = -2.635mmHg/L/min), temperature (beta coefficient = 4.514mmHg/ºC), initial pH (beta coefficient = -66.065mmHg/0.01 unit) and hemoglobin (beta coefficient = 6.635mmHg/g/dL). Conclusion In conclusion, elevations in blood and sweep gas flows in an apneic veno-venous extracorporeal membrane oxygenation model resulted in an increase in oxygen partial pressure and a reduction in carbon dioxide partial pressure 2, respectively. Furthermore, without the possibility of causal inference, oxygen partial pressure was negatively associated with pulmonary shunting and cardiac output, and carbon dioxide partial pressure was positively associated with cardiac output, core temperature and initial hemoglobin. PMID:27096671

Comparison of partial least squares and random forests for evaluating relationship between phenolics and bioactivities of Neptunia oleracea.

PubMed

Lee, Soo Yee; Mediani, Ahmed; Maulidiani, Maulidiani; Khatib, Alfi; Ismail, Intan Safinar; Zawawi, Norhasnida; Abas, Faridah

2018-01-01

Neptunia oleracea is a plant consumed as a vegetable and which has been used as a folk remedy for several diseases. Herein, two regression models (partial least squares, PLS; and random forest, RF) in a metabolomics approach were compared and applied to the evaluation of the relationship between phenolics and bioactivities of N. oleracea. In addition, the effects of different extraction conditions on the phenolic constituents were assessed by pattern recognition analysis. Comparison of the PLS and RF showed that RF exhibited poorer generalization and hence poorer predictive performance. Both the regression coefficient of PLS and the variable importance of RF revealed that quercetin and kaempferol derivatives, caffeic acid and vitexin-2-O-rhamnoside were significant towards the tested bioactivities. Furthermore, principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) results showed that sonication and absolute ethanol are the preferable extraction method and ethanol ratio, respectively, to produce N. oleracea extracts with high phenolic levels and therefore high DPPH scavenging and α-glucosidase inhibitory activities. Both PLS and RF are useful regression models in metabolomics studies. This work provides insight into the performance of different multivariate data analysis tools and the effects of different extraction conditions on the extraction of desired phenolics from plants. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Army Physical Therapy Productivity According to the Performance Based Adjustment Model

DTIC Science & Technology

2008-05-02

variation in processes often fell along a bell shaped curve or normal distribution. Shewart later developed a control chart to track and analyze variation in...References Abdi, H. (2003). Partial regression coefficients. In M. Lewis-Beck, A . Bryman & T. Futing (Eds.), Encyclopedia of Social Sciences Research...other provision of law. no person shall be subject to any penalty for failing to comply with a collection of information if it does not display a

Solid-phase cadmium speciation in soil using L3-edge XANES spectroscopy with partial least-squares regression.

PubMed

Siebers, Nina; Kruse, Jens; Eckhardt, Kai-Uwe; Hu, Yongfeng; Leinweber, Peter

2012-07-01

Cadmium (Cd) has a high toxicity and resolving its speciation in soil is challenging but essential for estimating the environmental risk. In this study partial least-square (PLS) regression was tested for its capability to deconvolute Cd L(3)-edge X-ray absorption near-edge structure (XANES) spectra of multi-compound mixtures. For this, a library of Cd reference compound spectra and a spectrum of a soil sample were acquired. A good coefficient of determination (R(2)) of Cd compounds in mixtures was obtained for the PLS model using binary and ternary mixtures of various Cd reference compounds proving the validity of this approach. In order to describe complex systems like soil, multi-compound mixtures of a variety of Cd compounds must be included in the PLS model. The obtained PLS regression model was then applied to a highly Cd-contaminated soil revealing Cd(3)(PO(4))(2) (36.1%), Cd(NO(3))(2)·4H(2)O (24.5%), Cd(OH)(2) (21.7%), CdCO(3) (17.1%) and CdCl(2) (0.4%). These preliminary results proved that PLS regression is a promising approach for a direct determination of Cd speciation in the solid phase of a soil sample.

Modified Regression Correlation Coefficient for Poisson Regression Model

NASA Astrophysics Data System (ADS)

Kaengthong, Nattacha; Domthong, Uthumporn

2017-09-01

This study gives attention to indicators in predictive power of the Generalized Linear Model (GLM) which are widely used; however, often having some restrictions. We are interested in regression correlation coefficient for a Poisson regression model. This is a measure of predictive power, and defined by the relationship between the dependent variable (Y) and the expected value of the dependent variable given the independent variables [E(Y|X)] for the Poisson regression model. The dependent variable is distributed as Poisson. The purpose of this research was modifying regression correlation coefficient for Poisson regression model. We also compare the proposed modified regression correlation coefficient with the traditional regression correlation coefficient in the case of two or more independent variables, and having multicollinearity in independent variables. The result shows that the proposed regression correlation coefficient is better than the traditional regression correlation coefficient based on Bias and the Root Mean Square Error (RMSE).

Sugar and acid content of Citrus prediction modeling using FT-IR fingerprinting in combination with multivariate statistical analysis.

PubMed

Song, Seung Yeob; Lee, Young Koung; Kim, In-Jung

2016-01-01

A high-throughput screening system for Citrus lines were established with higher sugar and acid contents using Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. FT-IR spectra confirmed typical spectral differences between the frequency regions of 950-1100 cm(-1), 1300-1500 cm(-1), and 1500-1700 cm(-1). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate five Citrus lines into three separate clusters corresponding to their taxonomic relationships. The quantitative predictive modeling of sugar and acid contents from Citrus fruits was established using partial least square regression algorithms from FT-IR spectra. The regression coefficients (R(2)) between predicted values and estimated sugar and acid content values were 0.99. These results demonstrate that by using FT-IR spectra and applying quantitative prediction modeling to Citrus sugar and acid contents, excellent Citrus lines can be early detected with greater accuracy. Copyright © 2015 Elsevier Ltd. All rights reserved.

Hybrid robust model based on an improved functional link neural network integrating with partial least square (IFLNN-PLS) and its application to predicting key process variables.

PubMed

He, Yan-Lin; Xu, Yuan; Geng, Zhi-Qiang; Zhu, Qun-Xiong

2016-03-01

In this paper, a hybrid robust model based on an improved functional link neural network integrating with partial least square (IFLNN-PLS) is proposed. Firstly, an improved functional link neural network with small norm of expanded weights and high input-output correlation (SNEWHIOC-FLNN) was proposed for enhancing the generalization performance of FLNN. Unlike the traditional FLNN, the expanded variables of the original inputs are not directly used as the inputs in the proposed SNEWHIOC-FLNN model. The original inputs are attached to some small norm of expanded weights. As a result, the correlation coefficient between some of the expanded variables and the outputs is enhanced. The larger the correlation coefficient is, the more relevant the expanded variables tend to be. In the end, the expanded variables with larger correlation coefficient are selected as the inputs to improve the performance of the traditional FLNN. In order to test the proposed SNEWHIOC-FLNN model, three UCI (University of California, Irvine) regression datasets named Housing, Concrete Compressive Strength (CCS), and Yacht Hydro Dynamics (YHD) are selected. Then a hybrid model based on the improved FLNN integrating with partial least square (IFLNN-PLS) was built. In IFLNN-PLS model, the connection weights are calculated using the partial least square method but not the error back propagation algorithm. Lastly, IFLNN-PLS was developed as an intelligent measurement model for accurately predicting the key variables in the Purified Terephthalic Acid (PTA) process and the High Density Polyethylene (HDPE) process. Simulation results illustrated that the IFLNN-PLS could significant improve the prediction performance. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Investigating bias in squared regression structure coefficients

PubMed Central

Nimon, Kim F.; Zientek, Linda R.; Thompson, Bruce

2015-01-01

The importance of structure coefficients and analogs of regression weights for analysis within the general linear model (GLM) has been well-documented. The purpose of this study was to investigate bias in squared structure coefficients in the context of multiple regression and to determine if a formula that had been shown to correct for bias in squared Pearson correlation coefficients and coefficients of determination could be used to correct for bias in squared regression structure coefficients. Using data from a Monte Carlo simulation, this study found that squared regression structure coefficients corrected with Pratt's formula produced less biased estimates and might be more accurate and stable estimates of population squared regression structure coefficients than estimates with no such corrections. While our findings are in line with prior literature that identified multicollinearity as a predictor of bias in squared regression structure coefficients but not coefficients of determination, the findings from this study are unique in that the level of predictive power, number of predictors, and sample size were also observed to contribute bias in squared regression structure coefficients. PMID:26217273

Determination and importance of temperature dependence of retention coefficient (RPHPLC) in QSAR model of nitrazepams' partition coefficient in bile acid micelles.

PubMed

Posa, Mihalj; Pilipović, Ana; Lalić, Mladena; Popović, Jovan

2011-02-15

Linear dependence between temperature (t) and retention coefficient (k, reversed phase HPLC) of bile acids is obtained. Parameters (a, intercept and b, slope) of the linear function k=f(t) highly correlate with bile acids' structures. Investigated bile acids form linear congeneric groups on a principal component (calculated from k=f(t)) score plot that are in accordance with conformations of the hydroxyl and oxo groups in a bile acid steroid skeleton. Partition coefficient (K(p)) of nitrazepam in bile acids' micelles is investigated. Nitrazepam molecules incorporated in micelles show modified bioavailability (depo effect, higher permeability, etc.). Using multiple linear regression method QSAR models of nitrazepams' partition coefficient, K(p) are derived on the temperatures of 25°C and 37°C. For deriving linear regression models on both temperatures experimentally obtained lipophilicity parameters are included (PC1 from data k=f(t)) and in silico descriptors of the shape of a molecule while on the higher temperature molecular polarisation is introduced. This indicates the fact that the incorporation mechanism of nitrazepam in BA micelles changes on the higher temperatures. QSAR models are derived using partial least squares method as well. Experimental parameters k=f(t) are shown to be significant predictive variables. Both QSAR models are validated using cross validation and internal validation method. PLS models have slightly higher predictive capability than MLR models. Copyright © 2010 Elsevier B.V. All rights reserved.

[Correlation between gaseous exchange rate, body temperature, and mitochondrial protein content in the liver of mice].

PubMed

Muradian, Kh K; Utko, N O; Mozzhukhina, T H; Pishel', I M; Litoshenko, O Ia; Bezrukov, V V; Fraĭfel'd, V E

2002-01-01

Correlative and regressive relations between the gaseous exchange, thermoregulation and mitochondrial protein content were analyzed by two- and three-dimensional statistics in mice. It has been shown that the pair wise linear methods of analysis did not reveal any significant correlation between the parameters under exploration. However, it became evident at three-dimensional and non-linear plotting for which the coefficients of multivariable correlation reached and even exceeded 0.7-0.8. The calculations based on partial differentiation of the multivariable regression equations allow to conclude that at certain values of VO2, VCO2 and body temperature negative relations between the systems of gaseous exchange and thermoregulation become dominating.

ppcor: An R Package for a Fast Calculation to Semi-partial Correlation Coefficients.

PubMed

Kim, Seongho

2015-11-01

Lack of a general matrix formula hampers implementation of the semi-partial correlation, also known as part correlation, to the higher-order coefficient. This is because the higher-order semi-partial correlation calculation using a recursive formula requires an enormous number of recursive calculations to obtain the correlation coefficients. To resolve this difficulty, we derive a general matrix formula of the semi-partial correlation for fast computation. The semi-partial correlations are then implemented on an R package ppcor along with the partial correlation. Owing to the general matrix formulas, users can readily calculate the coefficients of both partial and semi-partial correlations without computational burden. The package ppcor further provides users with the level of the statistical significance with its test statistic.

Methods for estimating tributary streamflow in the Chattahoochee River basin between Buford Dam and Franklin, Georgia

USGS Publications Warehouse

Stamey, Timothy C.

1998-01-01

Simple and reliable methods for estimating hourly streamflow are needed for the calibration and verification of a Chattahoochee River basin model between Buford Dam and Franklin, Ga. The river basin model is being developed by Georgia Department of Natural Resources, Environmental Protection Division, as part of their Chattahoochee River Modeling Project. Concurrent streamflow data collected at 19 continuous-record, and 31 partial-record streamflow stations, were used in ordinary least-squares linear regression analyses to define estimating equations, and in verifying drainage-area prorations. The resulting regression or drainage-area ratio estimating equations were used to compute hourly streamflow at the partial-record stations. The coefficients of determination (r-squared values) for the regression estimating equations ranged from 0.90 to 0.99. Observed and estimated hourly and daily streamflow data were computed for May 1, 1995, through October 31, 1995. Comparisons of observed and estimated daily streamflow data for 12 continuous-record tributary stations, that had available streamflow data for all or part of the period from May 1, 1995, to October 31, 1995, indicate that the mean error of estimate for the daily streamflow was about 25 percent.

Improved estimates of partial volume coefficients from noisy brain MRI using spatial context.

PubMed

Manjón, José V; Tohka, Jussi; Robles, Montserrat

2010-11-01

This paper addresses the problem of accurate voxel-level estimation of tissue proportions in the human brain magnetic resonance imaging (MRI). Due to the finite resolution of acquisition systems, MRI voxels can contain contributions from more than a single tissue type. The voxel-level estimation of this fractional content is known as partial volume coefficient estimation. In the present work, two new methods to calculate the partial volume coefficients under noisy conditions are introduced and compared with current similar methods. Concretely, a novel Markov Random Field model allowing sharp transitions between partial volume coefficients of neighbouring voxels and an advanced non-local means filtering technique are proposed to reduce the errors due to random noise in the partial volume coefficient estimation. In addition, a comparison was made to find out how the different methodologies affect the measurement of the brain tissue type volumes. Based on the obtained results, the main conclusions are that (1) both Markov Random Field modelling and non-local means filtering improved the partial volume coefficient estimation results, and (2) non-local means filtering was the better of the two strategies for partial volume coefficient estimation. Copyright 2010 Elsevier Inc. All rights reserved.

Blood proteins analysis by Raman spectroscopy method

NASA Astrophysics Data System (ADS)

Artemyev, D. N.; Bratchenko, I. A.; Khristoforova, Yu. A.; Lykina, A. A.; Myakinin, O. O.; Kuzmina, T. P.; Davydkin, I. L.; Zakharov, V. P.

2016-04-01

This work is devoted to study the possibility of plasma proteins (albumin, globulins) concentration measurement using Raman spectroscopy setup. The blood plasma and whole blood were studied in this research. The obtained Raman spectra showed significant variation of intensities of certain spectral bands 940, 1005, 1330, 1450 and 1650 cm-1 for different protein fractions. Partial least squares regression analysis was used for determination of correlation coefficients. We have shown that the proposed method represents the structure and biochemical composition of major blood proteins.

Comparison of Regression Methods to Compute Atmospheric Pressure and Earth Tidal Coefficients in Water Level Associated with Wenchuan Earthquake of 12 May 2008

NASA Astrophysics Data System (ADS)

He, Anhua; Singh, Ramesh P.; Sun, Zhaohua; Ye, Qing; Zhao, Gang

2016-07-01

The earth tide, atmospheric pressure, precipitation and earthquake fluctuations, especially earthquake greatly impacts water well levels, thus anomalous co-seismic changes in ground water levels have been observed. In this paper, we have used four different models, simple linear regression (SLR), multiple linear regression (MLR), principal component analysis (PCA) and partial least squares (PLS) to compute the atmospheric pressure and earth tidal effects on water level. Furthermore, we have used the Akaike information criterion (AIC) to study the performance of various models. Based on the lowest AIC and sum of squares for error values, the best estimate of the effects of atmospheric pressure and earth tide on water level is found using the MLR model. However, MLR model does not provide multicollinearity between inputs, as a result the atmospheric pressure and earth tidal response coefficients fail to reflect the mechanisms associated with the groundwater level fluctuations. On the premise of solving serious multicollinearity of inputs, PLS model shows the minimum AIC value. The atmospheric pressure and earth tidal response coefficients show close response with the observation using PLS model. The atmospheric pressure and the earth tidal response coefficients are found to be sensitive to the stress-strain state using the observed data for the period 1 April-8 June 2008 of Chuan 03# well. The transient enhancement of porosity of rock mass around Chuan 03# well associated with the Wenchuan earthquake (Mw = 7.9 of 12 May 2008) that has taken its original pre-seismic level after 13 days indicates that the co-seismic sharp rise of water well could be induced by static stress change, rather than development of new fractures.

Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra

NASA Astrophysics Data System (ADS)

Shan, Jiajia; Wang, Xue; Zhou, Hao; Han, Shuqing; Riza, Dimas Firmanda Al; Kondo, Naoshi

2018-04-01

Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models’ performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra.

PubMed

Shan, Jiajia; Wang, Xue; Zhou, Hao; Han, Shuqing; Riza, Dimas Firmanda Al; Kondo, Naoshi

2018-03-13

Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models' performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

Standards for Standardized Logistic Regression Coefficients

ERIC Educational Resources Information Center

Menard, Scott

2011-01-01

Standardized coefficients in logistic regression analysis have the same utility as standardized coefficients in linear regression analysis. Although there has been no consensus on the best way to construct standardized logistic regression coefficients, there is now sufficient evidence to suggest a single best approach to the construction of a…

Nondestructive evaluation of soluble solid content in strawberry by near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Guo, Zhiming; Huang, Wenqian; Chen, Liping; Wang, Xiu; Peng, Yankun

This paper indicates the feasibility to use near infrared (NIR) spectroscopy combined with synergy interval partial least squares (siPLS) algorithms as a rapid nondestructive method to estimate the soluble solid content (SSC) in strawberry. Spectral preprocessing methods were optimized selected by cross-validation in the model calibration. Partial least squares (PLS) algorithm was conducted on the calibration of regression model. The performance of the final model was back-evaluated according to root mean square error of calibration (RMSEC) and correlation coefficient (R2 c) in calibration set, and tested by mean square error of prediction (RMSEP) and correlation coefficient (R2 p) in prediction set. The optimal siPLS model was obtained with after first derivation spectra preprocessing. The measurement results of best model were achieved as follow: RMSEC = 0.2259, R2 c = 0.9590 in the calibration set; and RMSEP = 0.2892, R2 p = 0.9390 in the prediction set. This work demonstrated that NIR spectroscopy and siPLS with efficient spectral preprocessing is a useful tool for nondestructively evaluation SSC in strawberry.

Media violence exposure and physical aggression in fifth-grade children.

PubMed

Coker, Tumaini R; Elliott, Marc N; Schwebel, David C; Windle, Michael; Toomey, Sara L; Tortolero, Susan R; Hertz, Marci F; Peskin, Melissa F; Schuster, Mark A

2015-01-01

To examine the association of media violence exposure and physical aggression in fifth graders across 3 media types. We analyzed data from a population-based, cross-sectional survey of 5,147 fifth graders and their parents in 3 US metropolitan areas. We used multivariable linear regression and report partial correlation coefficients to examine associations between children's exposure to violence in television/film, video games, and music (reported time spent consuming media and reported frequency of violent content: physical fighting, hurting, shooting, or killing) and the Problem Behavior Frequency Scale. Child-reported media violence exposure was associated with physical aggression after multivariable adjustment for sociodemographics, family and community violence, and child mental health symptoms (partial correlation coefficients: TV, 0.17; video games, 0.15; music, 0.14). This association was significant and independent for television, video games, and music violence exposure in a model including all 3 media types (partial correlation coefficients: TV, 0.11; video games, 0.09; music, 0.09). There was a significant positive interaction between media time and media violence for video games and music but not for television. Effect sizes for the association of media violence exposure and physical aggression were greater in magnitude than for most of the other examined variables. The association between physical aggression and media violence exposure is robust and persistent; the strength of this association of media violence may be at least as important as that of other factors with physical aggression in children, such as neighborhood violence, home violence, child mental health, and male gender. Copyright © 2015 Academic Pediatric Association. All rights reserved.

Updated techniques for estimating monthly streamflow-duration characteristics at ungaged and partial-record sites in central Nevada

USGS Publications Warehouse

Hess, Glen W.

2002-01-01

Techniques for estimating monthly streamflow-duration characteristics at ungaged and partial-record sites in central Nevada have been updated. These techniques were developed using streamflow records at six continuous-record sites, basin physical and climatic characteristics, and concurrent streamflow measurements at four partial-record sites. Two methods, the basin-characteristic method and the concurrent-measurement method, were developed to provide estimating techniques for selected streamflow characteristics at ungaged and partial-record sites in central Nevada. In the first method, logarithmic-regression analyses were used to relate monthly mean streamflows (from all months and by month) from continuous-record gaging sites of various percent exceedence levels or monthly mean streamflows (by month) to selected basin physical and climatic variables at ungaged sites. Analyses indicate that the total drainage area and percent of drainage area at altitudes greater than 10,000 feet are the most significant variables. For the equations developed from all months of monthly mean streamflow, the coefficient of determination averaged 0.84 and the standard error of estimate of the relations for the ungaged sites averaged 72 percent. For the equations derived from monthly means by month, the coefficient of determination averaged 0.72 and the standard error of estimate of the relations averaged 78 percent. If standard errors are compared, the relations developed in this study appear generally to be less accurate than those developed in a previous study. However, the new relations are based on additional data and the slight increase in error may be due to the wider range of streamflow for a longer period of record, 1995-2000. In the second method, streamflow measurements at partial-record sites were correlated with concurrent streamflows at nearby gaged sites by the use of linear-regression techniques. Statistical measures of results using the second method typically indicated greater accuracy than for the first method. However, to make estimates for individual months, the concurrent-measurement method requires several years additional streamflow data at more partial-record sites. Thus, exceedence values for individual months are not yet available due to the low number of concurrent-streamflow-measurement data available. Reliability, limitations, and applications of both estimating methods are described herein.

Cox Regression Models with Functional Covariates for Survival Data.

PubMed

Gellar, Jonathan E; Colantuoni, Elizabeth; Needham, Dale M; Crainiceanu, Ciprian M

2015-06-01

We extend the Cox proportional hazards model to cases when the exposure is a densely sampled functional process, measured at baseline. The fundamental idea is to combine penalized signal regression with methods developed for mixed effects proportional hazards models. The model is fit by maximizing the penalized partial likelihood, with smoothing parameters estimated by a likelihood-based criterion such as AIC or EPIC. The model may be extended to allow for multiple functional predictors, time varying coefficients, and missing or unequally-spaced data. Methods were inspired by and applied to a study of the association between time to death after hospital discharge and daily measures of disease severity collected in the intensive care unit, among survivors of acute respiratory distress syndrome.

Korean Version of Child Perceptions Questionnaire and Dental Caries among Korean Children

PubMed Central

Shin, Hye-Sun; Han, Dong-Hun; Shin, Myung-Seop; Lee, Hyun-Jin; Kim, Mi-Sun; Kim, Hyun-Duck

2015-01-01

Although dental caries has been a major oral health problem for children, the association between dental caries and oral health related quality of life has been still controversial. This study aims to evaluate the association between the Korean version of the Child Perceptions Questionnaire (K-CPQ) and dental caries among Korean children. Eight hundred one school children aged 8 to 14 years participated in this study. After the K-CPQ was validated we performed an association study. The K-CPQ was self-reported. Dental caries were evaluated by dentists using the World Health Organization Index. Correlation analyses (intraclass correlation coefficient, Cronbach’s alpha and Pearson’s correlation coefficient [r]) and linear regression models (partial r) including age, gender and type of school were applied. Untreated deciduous dental caries was associated with the K-CPQ8-10 overall score (partial r = 0.15, P <0.05). The link was highlighted in the domains of functional limitation and emotional well-being. Filled teeth due to caries (FT) was associated with the K-CPQ11-14 overall domain (partial r = 0.14, P = 0.002) as well as with the oral symptoms domain (partial r = 0.16, P = 0.001). This association was highlighted among public school children. Our data indicate that K-CPQ was independently associated with dental caries. The K-CPQ could be a practical tool to evaluate the subjective oral health among Korean children aged 8 to 14. PMID:25675410

Fast determination of total ginsenosides content in ginseng powder by near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Hua-cai; Chen, Xing-dan; Lu, Yong-jun; Cao, Zhi-qiang

2006-01-01

Near infrared (NIR) reflectance spectroscopy was used to develop a fast determination method for total ginsenosides in Ginseng (Panax Ginseng) powder. The spectra were analyzed with multiplicative signal correction (MSC) correlation method. The best correlative spectra region with the total ginsenosides content was 1660 nm~1880 nm and 2230nm~2380 nm. The NIR calibration models of ginsenosides were built with multiple linear regression (MLR), principle component regression (PCR) and partial least squares (PLS) regression respectively. The results showed that the calibration model built with PLS combined with MSC and the optimal spectrum region was the best one. The correlation coefficient and the root mean square error of correction validation (RMSEC) of the best calibration model were 0.98 and 0.15% respectively. The optimal spectrum region for calibration was 1204nm~2014nm. The result suggested that using NIR to rapidly determinate the total ginsenosides content in ginseng powder were feasible.

Determination of benzo[a]pyrene in cigarette mainstream smoke by using mid-infrared spectroscopy associated with a novel chemometric algorithm.

PubMed

Zhang, Yan; Zou, Hong-Yan; Shi, Pei; Yang, Qin; Tang, Li-Juan; Jiang, Jian-Hui; Wu, Hai-Long; Yu, Ru-Qin

2016-01-01

Determination of benzo[a]pyrene (BaP) in cigarette smoke can be very important for the tobacco quality control and the assessment of its harm to human health. In this study, mid-infrared spectroscopy (MIR) coupled to chemometric algorithm (DPSO-WPT-PLS), which was based on the wavelet packet transform (WPT), discrete particle swarm optimization algorithm (DPSO) and partial least squares regression (PLS), was used to quantify harmful ingredient benzo[a]pyrene in the cigarette mainstream smoke with promising result. Furthermore, the proposed method provided better performance compared to several other chemometric models, i.e., PLS, radial basis function-based PLS (RBF-PLS), PLS with stepwise regression variable selection (Stepwise-PLS) as well as WPT-PLS with informative wavelet coefficients selected by correlation coefficient test (rtest-WPT-PLS). It can be expected that the proposed strategy could become a new effective, rapid quantitative analysis technique in analyzing the harmful ingredient BaP in cigarette mainstream smoke. Copyright © 2015 Elsevier B.V. All rights reserved.

Identification of Drivers of Liking for Bar-Type Snacks Based on Individual Consumer Preference.

PubMed

Kim, Mina K; Greve, Patrick; Lee, Youngseung

2016-01-01

Understanding consumer hedonic responses on food products are of greatest interests in global food industry. A global partial least square regression (GPLSR) had been well accepted method for understanding consumer preferences. Recently, individual partial least square regression (IPLSR) was accepted as an alternative method of predicting consumer preferences on given food product, because it utilizes the individual differences on product acceptability. To improve the understanding of what constitutes bar-type snack preference, the relationship between sensory attributes and consumer overall liking for 12 bar-type snacks was determined. Sensory attributes that drive consumer product likings were analyzed using averaged-consumer data by GPLSR. To facilitate the interpretation of individual consumer liking, a dummy matrix for the significant weighted regression coefficients of each consumer derived from IPLSR was created. From the application of GPLSR and IPLSR, current study revealed that chocolate and cereal-flavored bars were preferred over fruit-flavored bars. Attributes connected to chocolate flavor positively influenced consumer overall likings on the global and individual consumer levels. Textural attributes affected liking only on the individual level. To fully capture the importance of sensory attributes on consumer preference, the use of GPLSR in conjunction with IPLSR is recommended. © 2015 Institute of Food Technologists®

Linear Least Squares for Correlated Data

NASA Technical Reports Server (NTRS)

Dean, Edwin B.

1988-01-01

Throughout the literature authors have consistently discussed the suspicion that regression results were less than satisfactory when the independent variables were correlated. Camm, Gulledge, and Womer, and Womer and Marcotte provide excellent applied examples of these concerns. Many authors have obtained partial solutions for this problem as discussed by Womer and Marcotte and Wonnacott and Wonnacott, which result in generalized least squares algorithms to solve restrictive cases. This paper presents a simple but relatively general multivariate method for obtaining linear least squares coefficients which are free of the statistical distortion created by correlated independent variables.

Quantitative laser-induced breakdown spectroscopy data using peak area step-wise regression analysis: an alternative method for interpretation of Mars science laboratory results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clegg, Samuel M; Barefield, James E; Wiens, Roger C

2008-01-01

The ChemCam instrument on the Mars Science Laboratory (MSL) will include a laser-induced breakdown spectrometer (LIBS) to quantify major and minor elemental compositions. The traditional analytical chemistry approach to calibration curves for these data regresses a single diagnostic peak area against concentration for each element. This approach contrasts with a new multivariate method in which elemental concentrations are predicted by step-wise multiple regression analysis based on areas of a specific set of diagnostic peaks for each element. The method is tested on LIBS data from igneous and metamorphosed rocks. Between 4 and 13 partial regression coefficients are needed to describemore » each elemental abundance accurately (i.e., with a regression line of R{sup 2} > 0.9995 for the relationship between predicted and measured elemental concentration) for all major and minor elements studied. Validation plots suggest that the method is limited at present by the small data set, and will work best for prediction of concentration when a wide variety of compositions and rock types has been analyzed.« less

Ridge: a computer program for calculating ridge regression estimates

Treesearch

Donald E. Hilt; Donald W. Seegrist

1977-01-01

Least-squares coefficients for multiple-regression models may be unstable when the independent variables are highly correlated. Ridge regression is a biased estimation procedure that produces stable estimates of the coefficients. Ridge regression is discussed, and a computer program for calculating the ridge coefficients is presented.

Parent-Child Resemblance in Weight Status and Its Correlates in the United States

PubMed Central

Liang, Lan; Wang, Youfa

2013-01-01

Background Few studies have examined parent-child resemblance in body weight status using nationally representative data for the US. Design We analyzed Body Mass Index (BMI), weight status, and related correlates for 4,846 boys, 4,725 girls, and their parents based on US nationally representative data from the 2006 and 2007 Medical Expenditure Panel Survey (MEPS). Pearson partial correlation coefficients, percent agreement, weighted kappa coefficients, and binary and multinomial logistic regression were used to examine parent-child resemblance, adjusted for complex sampling design. Results Pearson partial correlation coefficients between parent and child’s BMI measures were 0.15 for father-son pairs, 0.17 for father-daughter pairs, 0.20 for mother-son pairs, and 0.23 for mother-daughter pairs. The weighted kappa coefficients between BMI quintiles of parent and child ranged from −0.02 to 0.25. Odds ratio analyses found children were 2.1 (95% confidence interval (CI): 1.6, 2.8) times more likely to be obese if only their father was obese, 1.9 (95% CI: 1.5, 2.4) times more likely if only their mother was obese, and 3.2 (95% CI: 2.5, 4.2) times more likely if both parents were obese. Conclusions Parent-child resemblance in BMI appears weak and may vary across parent-child dyad types in the US population. However, parental obesity status is associated with children’s obesity status. Use of different measures of parent-child resemblance in body weight status can lead to different conclusions. PMID:23762352

Predictive value of age of walking for later motor performance in children with mental retardation.

PubMed

Kokubun, M; Haishi, K; Okuzumi, H; Hosobuchi, T; Koike, T

1996-12-01

The purpose of the present study was to clarify the predictive value of age of walking for later motor performance in children with mental retardation. While paying due attention to other factors, our investigation focused on the relationship between a subject's age of walking, and his or her subsequent beam-walking performance. The subjects were 85 children with mental retardation with an average age of 13 years and 3 months. Beam-walking performance was measured by a procedure developed by the authors. Five low beams (5 cm) which varied in width (12.5, 10, 7.5, 5 and 2.5 cm) were employed. The performance of subjects was scored from zero to five points according to the width of the beam that they were able to walk without falling off. From the results of multiple regression analysis, three independent variables were found to be significantly related to beam-walking performance. The age of walking was the most basic variable: partial correlation coefficient (PCC) = -45; standardized partial regression coefficient (SPRC) = -0.41. The next variable in importance was walking duration (PCC = 0.38; SPRC = 0.31). The autism variable also contributed significantly (PCC = 0.28; SPRC = 0.22). Therefore, within the age range used in the present study, the age of walking in children with mental retardation was thought to have sufficient predictive value, even when the variables which might have possibly affected their subsequent performance were taken into consideration; the earlier the age of walking, the better the beam-walking performance.

Estimation of Relative Economic Weights of Hanwoo Carcass Traits Based on Carcass Market Price

PubMed Central

Choy, Yun Ho; Park, Byoung Ho; Choi, Tae Jung; Choi, Jae Gwan; Cho, Kwang Hyun; Lee, Seung Soo; Choi, You Lim; Koh, Kyung Chul; Kim, Hyo Sun

2012-01-01

The objective of this study was to estimate economic weights of Hanwoo carcass traits that can be used to build economic selection indexes for selection of seedstocks. Data from carcass measures for determining beef yield and quality grades were collected and provided by the Korean Institute for Animal Products Quality Evaluation (KAPE). Out of 1,556,971 records, 476,430 records collected from 13 abattoirs from 2008 to 2010 after deletion of outlying observations were used to estimate relative economic weights of bid price per kg carcass weight on cold carcass weight (CW), eye muscle area (EMA), backfat thickness (BF) and marbling score (MS) and the phenotypic relationships among component traits. Price of carcass tended to increase linearly as yield grades or quality grades, in marginal or in combination, increased. Partial regression coefficients for MS, EMA, BF, and for CW in original scales were +948.5 won/score, +27.3 won/cm2, −95.2 won/mm and +7.3 won/kg when all three sex categories were taken into account. Among four grade determining traits, relative economic weight of MS was the greatest. Variations in partial regression coefficients by sex categories were great but the trends in relative weights for each carcass measures were similar. Relative economic weights of four traits in integer values when standardized measures were fit into covariance model were +4:+1:−1:+1 for MS:EMA:BF:CW. Further research is required to account for the cost of production per unit carcass weight or per unit production under different economic situations. PMID:25049531

Adherence to dietary recommendations in diabetes mellitus: disease acceptance as a potential mediator.

PubMed

Jaworski, Mariusz; Panczyk, Mariusz; Cedro, Małgorzata; Kucharska, Alicja

2018-01-01

Adherence by diabetic patients to dietary recommendations is important for effective therapy. Considering patients' expectations in case of diet is significant in this regard. The aim of this paper was to analyze the relationship between selected independent variables (eg, regular blood glucose testing) and patients' adherence to dietary recommendations, bearing in mind that the degree of disease acceptance might play a mediation role. A cross-sectional study was conducted in 91 patients treated for type 2 diabetes mellitus in a public medical facility. Paper-and-pencil interviewing was administered ahead of the planned visit with a diabetes specialist. Two measures were applied in the study: the Acceptance and Action Diabetes Questionnaire and the Patient Diet Adherence in Diabetes Scale. Additionally, data related to sociodemographic characteristics, lifestyle-related factors, and the course of the disease (management, incidence of complications, and dietician's supervision) were also collected. The regression method was used in the analysis, and Cohen's methodology was used to estimate partial mediation. Significance of the mediation effect was assessed by the Goodman test. P -values of <0.05 were considered statistically significant. Patients' non-adherence to dietary recommendations was related to a low level of disease acceptance (standardized regression coefficient =-0.266; P =0.010). Moreover, failure to perform regular blood glucose testing was associated with a lack of disease acceptance (standardized regression coefficient =-0.455; P =0.000). However, the lack of regular blood glucose testing and low level of acceptance had only partially negative impacts on adherence to dietary recommendations (Goodman mediation test, Z =1.939; P =0.054). This dependence was not seen in patients treated with diet and concomitant oral medicines and/or insulin therapy. Effective dietary education should include activities promoting a more positive attitude toward the disease. This may be obtained by individual counseling, respecting the patient's needs, and focus on regular blood glucose testing.

Estimation and Testing of Partial Covariances, Correlations, and Regression Weights Using Maximum Likelihood Factor Analysis.

ERIC Educational Resources Information Center

And Others; Werts, Charles E.

1979-01-01

It is shown how partial covariance, part and partial correlation, and regression weights can be estimated and tested for significance by means of a factor analytic model. Comparable partial covariance, correlations, and regression weights have identical significance tests. (Author)

Response Error in Reporting Dental Coverage by Older Americans in the Health and Retirement Study

PubMed Central

Manski, Richard J.; Mathiowetz, Nancy A.; Campbell, Nancy; Pepper, John V.

2014-01-01

The aim of this research was to analyze the inconsistency in responses to survey questions within the Health and Retirement Study (HRS) regarding insurance coverage of dental services. Self-reports of dental coverage in the dental services section were compared with those in the insurance section of the 2002 HRS to identify inconsistent responses. Logistic regression identified characteristics of persons reporting discrepancies and assessed the effect of measurement error on dental coverage coefficient estimates in dental utilization models. In 18% of cases, data reported in the insurance section contradicted data reported in the dental use section of the HRS by those who said insurance at least partially covered (or would have covered) their (hypothetical) dental use. Additional findings included distinct characteristics of persons with potential reporting errors and a downward bias to the regression coefficient for coverage in a dental use model without controls for inconsistent self-reports of coverage. This study offers evidence for the need to validate self-reports of dental insurance coverage among a survey population of older Americans to obtain more accurate estimates of coverage and its impact on dental utilization. PMID:25428430

Developing a NIR multispectral imaging for prediction and visualization of peanut protein content using variable selection algorithms

NASA Astrophysics Data System (ADS)

Cheng, Jun-Hu; Jin, Huali; Liu, Zhiwei

2018-01-01

The feasibility of developing a multispectral imaging method using important wavelengths from hyperspectral images selected by genetic algorithm (GA), successive projection algorithm (SPA) and regression coefficient (RC) methods for modeling and predicting protein content in peanut kernel was investigated for the first time. Partial least squares regression (PLSR) calibration model was established between the spectral data from the selected optimal wavelengths and the reference measured protein content ranged from 23.46% to 28.43%. The RC-PLSR model established using eight key wavelengths (1153, 1567, 1972, 2143, 2288, 2339, 2389 and 2446 nm) showed the best predictive results with the coefficient of determination of prediction (R2P) of 0.901, and root mean square error of prediction (RMSEP) of 0.108 and residual predictive deviation (RPD) of 2.32. Based on the obtained best model and image processing algorithms, the distribution maps of protein content were generated. The overall results of this study indicated that developing a rapid and online multispectral imaging system using the feature wavelengths and PLSR analysis is potential and feasible for determination of the protein content in peanut kernels.

Hyperspectral Imaging for Predicting the Internal Quality of Kiwifruits Based on Variable Selection Algorithms and Chemometric Models.

PubMed

Zhu, Hongyan; Chu, Bingquan; Fan, Yangyang; Tao, Xiaoya; Yin, Wenxin; He, Yong

2017-08-10

We investigated the feasibility and potentiality of determining firmness, soluble solids content (SSC), and pH in kiwifruits using hyperspectral imaging, combined with variable selection methods and calibration models. The images were acquired by a push-broom hyperspectral reflectance imaging system covering two spectral ranges. Weighted regression coefficients (BW), successive projections algorithm (SPA) and genetic algorithm-partial least square (GAPLS) were compared and evaluated for the selection of effective wavelengths. Moreover, multiple linear regression (MLR), partial least squares regression and least squares support vector machine (LS-SVM) were developed to predict quality attributes quantitatively using effective wavelengths. The established models, particularly SPA-MLR, SPA-LS-SVM and GAPLS-LS-SVM, performed well. The SPA-MLR models for firmness (R pre  = 0.9812, RPD = 5.17) and SSC (R pre  = 0.9523, RPD = 3.26) at 380-1023 nm showed excellent performance, whereas GAPLS-LS-SVM was the optimal model at 874-1734 nm for predicting pH (R pre  = 0.9070, RPD = 2.60). Image processing algorithms were developed to transfer the predictive model in every pixel to generate prediction maps that visualize the spatial distribution of firmness and SSC. Hence, the results clearly demonstrated that hyperspectral imaging has the potential as a fast and non-invasive method to predict the quality attributes of kiwifruits.

Development of a partial least squares-artificial neural network (PLS-ANN) hybrid model for the prediction of consumer liking scores of ready-to-drink green tea beverages.

PubMed

Yu, Peigen; Low, Mei Yin; Zhou, Weibiao

2018-01-01

In order to develop products that would be preferred by consumers, the effects of the chemical compositions of ready-to-drink green tea beverages on consumer liking were studied through regression analyses. Green tea model systems were prepared by dosing solutions of 0.1% green tea extract with differing concentrations of eight flavour keys deemed to be important for green tea aroma and taste, based on a D-optimal experimental design, before undergoing commercial sterilisation. Sensory evaluation of the green tea model system was carried out using an untrained consumer panel to obtain hedonic liking scores of the samples. Regression models were subsequently trained to objectively predict the consumer liking scores of the green tea model systems. A linear partial least squares (PLS) regression model was developed to describe the effects of the eight flavour keys on consumer liking, with a coefficient of determination (R 2 ) of 0.733, and a root-mean-square error (RMSE) of 3.53%. The PLS model was further augmented with an artificial neural network (ANN) to establish a PLS-ANN hybrid model. The established hybrid model was found to give a better prediction of consumer liking scores, based on its R 2 (0.875) and RMSE (2.41%). Copyright © 2017 Elsevier Ltd. All rights reserved.

Fast detection and visualization of minced lamb meat adulteration using NIR hyperspectral imaging and multivariate image analysis.

PubMed

Kamruzzaman, Mohammed; Sun, Da-Wen; ElMasry, Gamal; Allen, Paul

2013-01-15

Many studies have been carried out in developing non-destructive technologies for predicting meat adulteration, but there is still no endeavor for non-destructive detection and quantification of adulteration in minced lamb meat. The main goal of this study was to develop and optimize a rapid analytical technique based on near-infrared (NIR) hyperspectral imaging to detect the level of adulteration in minced lamb. Initial investigation was carried out using principal component analysis (PCA) to identify the most potential adulterate in minced lamb. Minced lamb meat samples were then adulterated with minced pork in the range 2-40% (w/w) at approximately 2% increments. Spectral data were used to develop a partial least squares regression (PLSR) model to predict the level of adulteration in minced lamb. Good prediction model was obtained using the whole spectral range (910-1700 nm) with a coefficient of determination (R(2)(cv)) of 0.99 and root-mean-square errors estimated by cross validation (RMSECV) of 1.37%. Four important wavelengths (940, 1067, 1144 and 1217 nm) were selected using weighted regression coefficients (Bw) and a multiple linear regression (MLR) model was then established using these important wavelengths to predict adulteration. The MLR model resulted in a coefficient of determination (R(2)(cv)) of 0.98 and RMSECV of 1.45%. The developed MLR model was then applied to each pixel in the image to obtain prediction maps to visualize the distribution of adulteration of the tested samples. The results demonstrated that the laborious and time-consuming tradition analytical techniques could be replaced by spectral data in order to provide rapid, low cost and non-destructive testing technique for adulterate detection in minced lamb meat. Copyright © 2012 Elsevier B.V. All rights reserved.

Comparison of three chemometrics methods for near-infrared spectra of glucose in the whole blood

NASA Astrophysics Data System (ADS)

Zhang, Hongyan; Ding, Dong; Li, Xin; Chen, Yu; Tang, Yuguo

2005-01-01

Principal Component Regression (PCR), Partial Least Square (PLS) and Artificial Neural Networks (ANN) methods are used in the analysis for the near infrared (NIR) spectra of glucose in the whole blood. The calibration model is built up in the spectrum band where there are the glucose has much more spectral absorption than the water, fat, and protein with these methods and the correlation coefficients of the model are showed in this paper. Comparing these results, a suitable method to analyze the glucose NIR spectrum in the whole blood is found.

A partial least square regression method to quantitatively retrieve soil salinity using hyper-spectral reflectance data

NASA Astrophysics Data System (ADS)

Qu, Yonghua; Jiao, Siong; Lin, Xudong

2008-10-01

Hetao Irrigation District located in Inner Mongolia, is one of the three largest irrigated area in China. In the irrigational agriculture region, for the reasons that many efforts have been put on irrigation rather than on drainage, as a result much sedimentary salt that usually is solved in water has been deposited in surface soil. So there has arisen a problem in such irrigation district that soil salinity has become a chief fact which causes land degrading. Remote sensing technology is an efficiency way to map the salinity in regional scale. In the principle of remote sensing, soil spectrum is one of the most important indications which can be used to reflect the status of soil salinity. In the past decades, many efforts have been made to reveal the spectrum characteristics of the salinized soil, such as the traditional statistic regression method. But it also has been found that when the hyper-spectral reflectance data are considered, the traditional regression method can't be treat the large dimension data, because the hyper-spectral data usually have too higher spectral band number. In this paper, a partial least squares regression (PLSR) model was established based on the statistical analysis on the soil salinity and the reflectance of hyper-spectral. Dataset were collect through the field soil samples were collected in the region of Hetao irrigation from the end of July to the beginning of August. The independent validation using data which are not included in the calibration model reveals that the proposed model can predicate the main soil components such as the content of total ions(S%), PH with higher determination coefficients(R2) of 0.728 and 0.715 respectively. And the rate of prediction to deviation(RPD) of the above predicted value are larger than 1.6, which indicates that the calibrated PLSR model can be used as a tool to retrieve soil salinity with accurate results. When the PLSR model's regression coefficients were aggregated according to the wavelength of visual (blue, green, red) and near infrared bands of LandSat Thematic Mapper(TM) sensor, some significant response values were observed, which indicates that the proposed method in this paper can be used to analysis the remotely sensed data from the space-boarded platform.

Discrimination of serum Raman spectroscopy between normal and colorectal cancer

NASA Astrophysics Data System (ADS)

Li, Xiaozhou; Yang, Tianyue; Yu, Ting; Li, Siqi

2011-07-01

Raman spectroscopy of tissues has been widely studied for the diagnosis of various cancers, but biofluids were seldom used as the analyte because of the low concentration. Herein, serum of 30 normal people, 46 colon cancer, and 44 rectum cancer patients were measured Raman spectra and analyzed. The information of Raman peaks (intensity and width) and that of the fluorescence background (baseline function coefficients) were selected as parameters for statistical analysis. Principal component regression (PCR) and partial least square regression (PLSR) were used on the selected parameters separately to see the performance of the parameters. PCR performed better than PLSR in our spectral data. Then linear discriminant analysis (LDA) was used on the principal components (PCs) of the two regression method on the selected parameters, and a diagnostic accuracy of 88% and 83% were obtained. The conclusion is that the selected features can maintain the information of original spectra well and Raman spectroscopy of serum has the potential for the diagnosis of colorectal cancer.

Application of principal component regression and partial least squares regression in ultraviolet spectrum water quality detection

NASA Astrophysics Data System (ADS)

Li, Jiangtong; Luo, Yongdao; Dai, Honglin

2018-01-01

Water is the source of life and the essential foundation of all life. With the development of industrialization, the phenomenon of water pollution is becoming more and more frequent, which directly affects the survival and development of human. Water quality detection is one of the necessary measures to protect water resources. Ultraviolet (UV) spectral analysis is an important research method in the field of water quality detection, which partial least squares regression (PLSR) analysis method is becoming predominant technology, however, in some special cases, PLSR's analysis produce considerable errors. In order to solve this problem, the traditional principal component regression (PCR) analysis method was improved by using the principle of PLSR in this paper. The experimental results show that for some special experimental data set, improved PCR analysis method performance is better than PLSR. The PCR and PLSR is the focus of this paper. Firstly, the principal component analysis (PCA) is performed by MATLAB to reduce the dimensionality of the spectral data; on the basis of a large number of experiments, the optimized principal component is extracted by using the principle of PLSR, which carries most of the original data information. Secondly, the linear regression analysis of the principal component is carried out with statistic package for social science (SPSS), which the coefficients and relations of principal components can be obtained. Finally, calculating a same water spectral data set by PLSR and improved PCR, analyzing and comparing two results, improved PCR and PLSR is similar for most data, but improved PCR is better than PLSR for data near the detection limit. Both PLSR and improved PCR can be used in Ultraviolet spectral analysis of water, but for data near the detection limit, improved PCR's result better than PLSR.

Support vector machine regression (SVR/LS-SVM)--an alternative to neural networks (ANN) for analytical chemistry? Comparison of nonlinear methods on near infrared (NIR) spectroscopy data.

PubMed

Balabin, Roman M; Lomakina, Ekaterina I

2011-04-21

In this study, we make a general comparison of the accuracy and robustness of five multivariate calibration models: partial least squares (PLS) regression or projection to latent structures, polynomial partial least squares (Poly-PLS) regression, artificial neural networks (ANNs), and two novel techniques based on support vector machines (SVMs) for multivariate data analysis: support vector regression (SVR) and least-squares support vector machines (LS-SVMs). The comparison is based on fourteen (14) different datasets: seven sets of gasoline data (density, benzene content, and fractional composition/boiling points), two sets of ethanol gasoline fuel data (density and ethanol content), one set of diesel fuel data (total sulfur content), three sets of petroleum (crude oil) macromolecules data (weight percentages of asphaltenes, resins, and paraffins), and one set of petroleum resins data (resins content). Vibrational (near-infrared, NIR) spectroscopic data are used to predict the properties and quality coefficients of gasoline, biofuel/biodiesel, diesel fuel, and other samples of interest. The four systems presented here range greatly in composition, properties, strength of intermolecular interactions (e.g., van der Waals forces, H-bonds), colloid structure, and phase behavior. Due to the high diversity of chemical systems studied, general conclusions about SVM regression methods can be made. We try to answer the following question: to what extent can SVM-based techniques replace ANN-based approaches in real-world (industrial/scientific) applications? The results show that both SVR and LS-SVM methods are comparable to ANNs in accuracy. Due to the much higher robustness of the former, the SVM-based approaches are recommended for practical (industrial) application. This has been shown to be especially true for complicated, highly nonlinear objects.

A Note on the Relationship between the Number of Indicators and Their Reliability in Detecting Regression Coefficients in Latent Regression Analysis

ERIC Educational Resources Information Center

Dolan, Conor V.; Wicherts, Jelte M.; Molenaar, Peter C. M.

2004-01-01

We consider the question of how variation in the number and reliability of indicators affects the power to reject the hypothesis that the regression coefficients are zero in latent linear regression analysis. We show that power remains constant as long as the coefficient of determination remains unchanged. Any increase in the number of indicators…

[Determination of fat, protein and DM in raw milk by portable short-wave near infrared spectrometer].

PubMed

Li, Xiao-yun; Wang, Jia-hua; Huang, Ya-wei; Han, Dong-hai

2011-03-01

Near infrared diffuse reflectance spectroscopy calibrations of fat, protein and DM in raw milk were studied with partial least-squares (PLS) regression using portable short-wave near infrared spectrometer. The results indicated that good calibrations of fat and DM were found, the correlation coefficients were all 0.98, the RMSEC were 0.187 and 0.217, RMSEP were 0.187 and 0.296, the RPDs were 5.02 and 3.20 respectively; the calibration of protein needed to be improved but can be used for practice, the correlation coefficient was 0.95, RMSEC was 0.105, RMSEP was 0.120, and RPD was 2.60. Furthermore, the measuring accuracy was improved by analyzing the correction relation of fat and DM in raw milk This study will probably provide a new on-site method for nondestructive and rapid measurement of milk.

Estimation of diffusion coefficients from voltammetric signals by support vector and gaussian process regression

PubMed Central

2014-01-01

Background Support vector regression (SVR) and Gaussian process regression (GPR) were used for the analysis of electroanalytical experimental data to estimate diffusion coefficients. Results For simulated cyclic voltammograms based on the EC, Eqr, and EqrC mechanisms these regression algorithms in combination with nonlinear kernel/covariance functions yielded diffusion coefficients with higher accuracy as compared to the standard approach of calculating diffusion coefficients relying on the Nicholson-Shain equation. The level of accuracy achieved by SVR and GPR is virtually independent of the rate constants governing the respective reaction steps. Further, the reduction of high-dimensional voltammetric signals by manual selection of typical voltammetric peak features decreased the performance of both regression algorithms compared to a reduction by downsampling or principal component analysis. After training on simulated data sets, diffusion coefficients were estimated by the regression algorithms for experimental data comprising voltammetric signals for three organometallic complexes. Conclusions Estimated diffusion coefficients closely matched the values determined by the parameter fitting method, but reduced the required computational time considerably for one of the reaction mechanisms. The automated processing of voltammograms according to the regression algorithms yields better results than the conventional analysis of peak-related data. PMID:24987463

Prediction of random-regression coefficient for daily milk yield after 305 days in milk by using the regression-coefficient estimates from the first 305 days.

PubMed

Yamazaki, Takeshi; Takeda, Hisato; Hagiya, Koichi; Yamaguchi, Satoshi; Sasaki, Osamu

2018-03-13

Because lactation periods in dairy cows lengthen with increasing total milk production, it is important to predict individual productivities after 305 days in milk (DIM) to determine the optimal lactation period. We therefore examined whether the random regression (RR) coefficient from 306 to 450 DIM (M2) can be predicted from those during the first 305 DIM (M1) by using a random regression model. We analyzed test-day milk records from 85690 Holstein cows in their first lactations and 131727 cows in their later (second to fifth) lactations. Data in M1 and M2 were analyzed separately by using different single-trait RR animal models. We then performed a multiple regression analysis of the RR coefficients of M2 on those of M1 during the first and later lactations. The first-order Legendre polynomials were practical covariates of random regression for the milk yields of M2. All RR coefficients for the additive genetic (AG) effect and the intercept for the permanent environmental (PE) effect of M2 had moderate to strong correlations with the intercept for the AG effect of M1. The coefficients of determination for multiple regression of the combined intercepts for the AG and PE effects of M2 on the coefficients for the AG effect of M1 were moderate to high. The daily milk yields of M2 predicted by using the RR coefficients for the AG effect of M1 were highly correlated with those obtained by using the coefficients of M2. Milk production after 305 DIM can be predicted by using the RR coefficient estimates of the AG effect during the first 305 DIM.

Interpreting Regression Results: beta Weights and Structure Coefficients are Both Important.

ERIC Educational Resources Information Center

Thompson, Bruce

Various realizations have led to less frequent use of the "OVA" methods (analysis of variance--ANOVA--among others) and to more frequent use of general linear model approaches such as regression. However, too few researchers understand all the various coefficients produced in regression. This paper explains these coefficients and their…

Biases and Standard Errors of Standardized Regression Coefficients

ERIC Educational Resources Information Center

Yuan, Ke-Hai; Chan, Wai

2011-01-01

The paper obtains consistent standard errors (SE) and biases of order O(1/n) for the sample standardized regression coefficients with both random and given predictors. Analytical results indicate that the formulas for SEs given in popular text books are consistent only when the population value of the regression coefficient is zero. The sample…

Remote sensing and GIS-based landslide hazard analysis and cross-validation using multivariate logistic regression model on three test areas in Malaysia

NASA Astrophysics Data System (ADS)

Pradhan, Biswajeet

2010-05-01

This paper presents the results of the cross-validation of a multivariate logistic regression model using remote sensing data and GIS for landslide hazard analysis on the Penang, Cameron, and Selangor areas in Malaysia. Landslide locations in the study areas were identified by interpreting aerial photographs and satellite images, supported by field surveys. SPOT 5 and Landsat TM satellite imagery were used to map landcover and vegetation index, respectively. Maps of topography, soil type, lineaments and land cover were constructed from the spatial datasets. Ten factors which influence landslide occurrence, i.e., slope, aspect, curvature, distance from drainage, lithology, distance from lineaments, soil type, landcover, rainfall precipitation, and normalized difference vegetation index (ndvi), were extracted from the spatial database and the logistic regression coefficient of each factor was computed. Then the landslide hazard was analysed using the multivariate logistic regression coefficients derived not only from the data for the respective area but also using the logistic regression coefficients calculated from each of the other two areas (nine hazard maps in all) as a cross-validation of the model. For verification of the model, the results of the analyses were then compared with the field-verified landslide locations. Among the three cases of the application of logistic regression coefficient in the same study area, the case of Selangor based on the Selangor logistic regression coefficients showed the highest accuracy (94%), where as Penang based on the Penang coefficients showed the lowest accuracy (86%). Similarly, among the six cases from the cross application of logistic regression coefficient in other two areas, the case of Selangor based on logistic coefficient of Cameron showed highest (90%) prediction accuracy where as the case of Penang based on the Selangor logistic regression coefficients showed the lowest accuracy (79%). Qualitatively, the cross application model yields reasonable results which can be used for preliminary landslide hazard mapping.

Partial-fraction expansion and inverse Laplace transform of a rational function with real coefficients

NASA Technical Reports Server (NTRS)

Chang, F.-C.; Mott, H.

1974-01-01

This paper presents a technique for the partial-fraction expansion of functions which are ratios of polynomials with real coefficients. The expansion coefficients are determined by writing the polynomials as Taylor's series and obtaining the Laurent series expansion of the function. The general formula for the inverse Laplace transform is also derived.

Sparse partial least squares regression for simultaneous dimension reduction and variable selection

PubMed Central

Chun, Hyonho; Keleş, Sündüz

2010-01-01

Partial least squares regression has been an alternative to ordinary least squares for handling multicollinearity in several areas of scientific research since the 1960s. It has recently gained much attention in the analysis of high dimensional genomic data. We show that known asymptotic consistency of the partial least squares estimator for a univariate response does not hold with the very large p and small n paradigm. We derive a similar result for a multivariate response regression with partial least squares. We then propose a sparse partial least squares formulation which aims simultaneously to achieve good predictive performance and variable selection by producing sparse linear combinations of the original predictors. We provide an efficient implementation of sparse partial least squares regression and compare it with well-known variable selection and dimension reduction approaches via simulation experiments. We illustrate the practical utility of sparse partial least squares regression in a joint analysis of gene expression and genomewide binding data. PMID:20107611

On the Occurrence of Standardized Regression Coefficients Greater than One.

ERIC Educational Resources Information Center

Deegan, John, Jr.

1978-01-01

It is demonstrated here that standardized regression coefficients greater than one can legitimately occur. Furthermore, the relationship between the occurrence of such coefficients and the extent of multicollinearity present among the set of predictor variables in an equation is examined. Comments on the interpretation of these coefficients are…

Estimating regression coefficients from clustered samples: Sampling errors and optimum sample allocation

NASA Technical Reports Server (NTRS)

Kalton, G.

1983-01-01

A number of surveys were conducted to study the relationship between the level of aircraft or traffic noise exposure experienced by people living in a particular area and their annoyance with it. These surveys generally employ a clustered sample design which affects the precision of the survey estimates. Regression analysis of annoyance on noise measures and other variables is often an important component of the survey analysis. Formulae are presented for estimating the standard errors of regression coefficients and ratio of regression coefficients that are applicable with a two- or three-stage clustered sample design. Using a simple cost function, they also determine the optimum allocation of the sample across the stages of the sample design for the estimation of a regression coefficient.

The Outlier Detection for Ordinal Data Using Scalling Technique of Regression Coefficients

NASA Astrophysics Data System (ADS)

Adnan, Arisman; Sugiarto, Sigit

2017-06-01

The aims of this study is to detect the outliers by using coefficients of Ordinal Logistic Regression (OLR) for the case of k category responses where the score from 1 (the best) to 8 (the worst). We detect them by using the sum of moduli of the ordinal regression coefficients calculated by jackknife technique. This technique is improved by scalling the regression coefficients to their means. R language has been used on a set of ordinal data from reference distribution. Furthermore, we compare this approach by using studentised residual plots of jackknife technique for ANOVA (Analysis of Variance) and OLR. This study shows that the jackknifing technique along with the proper scaling may lead us to reveal outliers in ordinal regression reasonably well.

Mechanisms behind the estimation of photosynthesis traits from leaf reflectance observations

NASA Astrophysics Data System (ADS)

Dechant, Benjamin; Cuntz, Matthias; Doktor, Daniel; Vohland, Michael

2016-04-01

Many studies have investigated the reflectance-based estimation of leaf chlorophyll, water and dry matter contents of plants. Only few studies focused on photosynthesis traits, however. The maximum potential uptake of carbon dioxide under given environmental conditions is determined mainly by RuBisCO activity, limiting carboxylation, or the speed of photosynthetic electron transport. These two main limitations are represented by the maximum carboxylation capacity, V cmax,25, and the maximum electron transport rate, Jmax,25. These traits were estimated from leaf reflectance before but the mechanisms underlying the estimation remain rather speculative. The aim of this study was therefore to reveal the mechanisms behind reflectance-based estimation of V cmax,25 and Jmax,25. Leaf reflectance, photosynthetic response curves as well as nitrogen content per area, Narea, and leaf mass per area, LMA, were measured on 37 deciduous tree species. V cmax,25 and Jmax,25 were determined from the response curves. Partial Least Squares (PLS) regression models for the two photosynthesis traits V cmax,25 and Jmax,25 as well as Narea and LMA were studied using a cross-validation approach. Analyses of linear regression models based on Narea and other leaf traits estimated via PROSPECT inversion, PLS regression coefficients and model residuals were conducted in order to reveal the mechanisms behind the reflectance-based estimation. We found that V cmax,25 and Jmax,25 can be estimated from leaf reflectance with good to moderate accuracy for a large number of species and different light conditions. The dominant mechanism behind the estimations was the strong relationship between photosynthesis traits and leaf nitrogen content. This was concluded from very strong relationships between PLS regression coefficients, the model residuals as well as the prediction performance of Narea- based linear regression models compared to PLS regression models. While the PLS regression model for V cmax,25 was fully based on the correlation to Narea, the PLS regression model for Jmax,25 was not entirely based on it. Analyses of the contributions of different parts of the reflectance spectrum revealed that the information contributing to the Jmax,25 PLS regression model in addition to the main source of information, Narea, was mainly located in the visible part of the spectrum (500-900 nm). Estimated chlorophyll content could be excluded as potential source of this extra information. The PLS regression coefficients of the Jmax,25 model indicated possible contributions from chlorophyll fluorescence and cytochrome f content. In summary, we found that the main mechanism behind the estimation of V cmax,25 and Jmax,25 from leaf reflectance observations is the correlation to Narea but that there is additional information related to Jmax,25 mainly in the visible part of the spectrum.

New type of dry substances content meter using microwaves for application in biogas plants.

PubMed

Nacke, Thomas; Brückner, Kathleen; Göller, Arndt; Kaufhold, Sebastian; Nakos, Xenia; Noack, Stephan; Stöber, Heinrich; Beckmann, Dieter

2005-11-01

Dry substances (DS) are an important index for monitoring and controlling anaerobic co-digestion in biogas plants. We have developed and tested an online meter that measures suspended solids by means of the reflection coefficient of an exiting microwave signal, which is dependent on the dielectric properties of the suspensions. Intelligent models based on partial least squares regression (PLSR) and artificial neural network (ANN) for calibration allow exact and reproducible measurements under different circumstances. This measuring method is appropriate for contactless and online measurements of dry substance contents in biogas plants in a large range from 2-14%.

Population dynamics of pond zooplankton, I. Diaptomus pallidus Herrick

USGS Publications Warehouse

Armitage, K.B.; Saxena, B.; Angino, E.E.

1973-01-01

The simultaneous and lag relationships between 27 environmental variables and seven population components of a perennial calanoid copepod were examined by simple and partial correlations and stepwise regression. The analyses consistently explained more than 70% of the variation of a population component. The multiple correlation coefficient (R) usually was highest in no lag or in 3-week or 4-week lag except for clutch size in which R was highest in 1-week lag. Population control, egg-bearing, and clutch size were affected primarily by environmental components categorized as weather; food apparently was relatively minor in affecting population control or reproduction. ?? 1973 Dr. W. Junk B.V. Publishers.

Maternal overprotection score of the Parental Bonding Instrument predicts the outcome of cognitive behavior therapy by trainees for depression.

PubMed

Asano, Motoshi; Esaki, Kosei; Wakamatsu, Aya; Kitajima, Tomoko; Narita, Tomohiro; Naitoh, Hiroshi; Ozaki, Norio; Iwata, Nakao

2013-07-01

The purpose of this study was to predict the outcome of cognitive behavior therapy (CBT) by trainees for major depressive disorder (MDD) based on the Parental Bonding Instrument (PBI). The hypothesis was that the higher level of care and/or lower level of overprotection score would predict a favorable outcome of CBT by trainees. The subjects were all outpatients with MDD treated with CBT as a training case. All the subjects were asked to fill out the Japanese version of the PBI before commencing the course of psychotherapy. The difference between the first and the last Beck Depression Inventory (BDI) score was used to represent the improvement of the intensity of depression by CBT. In order to predict improvement (the difference of the BDI scores) as the objective variable, multiple regression analysis was performed using maternal overprotection score and baseline BDI score as the explanatory variables. The multiple regression model was significant (P = 0.0026) and partial regression coefficient for the maternal overprotection score and the baseline BDI was -0.73 (P = 0.0046) and 0.88 (P = 0.0092), respectively. Therefore, when a patient's maternal overprotection score of the PBI was lower, a better outcome of CBT was expected. The hypothesis was partially supported. This result would be useful in determining indications for CBT by trainees for patients with MDD. © 2013 The Authors. Psychiatry and Clinical Neurosciences © 2013 Japanese Society of Psychiatry and Neurology.

Recursive formulas for the partial fraction expansion of a rational function with multiple poles.

NASA Technical Reports Server (NTRS)

Chang, F.-C.

1973-01-01

The coefficients in the partial fraction expansion considered are given by Heaviside's formula. The evaluation of the coefficients involves the differential of a quotient of two polynomials. A simplified approach for the evaluation of the coefficients is discussed. Leibniz rule is applied and a recurrence formula is derived. A coefficient can also be determined from a system of simultaneous equations. Practical methods for the performance of the computational operations involved in both approaches are considered.

Determination of gas-liquid partition coefficients of several organic solutes in trihexyl(tetradecyl)phosphonium bromide using capillary gas chromatography columns.

PubMed

Ronco, Nicolás R; Menestrina, Fiorella; Romero, Lílian M; Castells, Cecilia B

2017-06-09

In this paper, we report gas-liquid partition constants for thirty-five volatile organic solutes in the room temperature ionic liquid trihexyl(tetradecyl)phosphonium bromide measured by gas-liquid chromatography using capillary columns. The relative contribution of gas-liquid partition and interfacial adsorption to retention was evaluated through the use of columns with different the phase ratio. Four capillary columns with exactly known phase ratios were constructed and employed to measure the solute retention factors at four temperatures between 313.15 and 343.15K. The partition coefficients were calculated from the slopes of the linear regression between solute retention factors and the reciprocal of phase ratio at a given temperature according to the gas-liquid chromatographic theory. Gas-liquid interfacial adsorption was detected for a few solutes and it has been considered for the calculations of partition coefficient. Reliable solute's infinite dilution activity coefficients can be obtained when retention data are determined by a unique partitioning mechanism. The partial molar excess enthalpies at infinite dilution have been estimated from the dependence of experimental values of solute activity coefficients with the column temperature. A thorough discussion of the uncertainties of the experimental measurements and the main advantages of the use of capillary columns to acquire the aforementioned relevant thermodynamic information was performed. Copyright © 2017 Elsevier B.V. All rights reserved.

Bayesian Estimation of Multivariate Latent Regression Models: Gauss versus Laplace

ERIC Educational Resources Information Center

Culpepper, Steven Andrew; Park, Trevor

2017-01-01

A latent multivariate regression model is developed that employs a generalized asymmetric Laplace (GAL) prior distribution for regression coefficients. The model is designed for high-dimensional applications where an approximate sparsity condition is satisfied, such that many regression coefficients are near zero after accounting for all the model…

Towards molecular design using 2D-molecular contour maps obtained from PLS regression coefficients

NASA Astrophysics Data System (ADS)

Borges, Cleber N.; Barigye, Stephen J.; Freitas, Matheus P.

2017-12-01

The multivariate image analysis descriptors used in quantitative structure-activity relationships are direct representations of chemical structures as they are simply numerical decodifications of pixels forming the 2D chemical images. These MDs have found great utility in the modeling of diverse properties of organic molecules. Given the multicollinearity and high dimensionality of the data matrices generated with the MIA-QSAR approach, modeling techniques that involve the projection of the data space onto orthogonal components e.g. Partial Least Squares (PLS) have been generally used. However, the chemical interpretation of the PLS-based MIA-QSAR models, in terms of the structural moieties affecting the modeled bioactivity has not been straightforward. This work describes the 2D-contour maps based on the PLS regression coefficients, as a means of assessing the relevance of single MIA predictors to the response variable, and thus allowing for the structural, electronic and physicochemical interpretation of the MIA-QSAR models. A sample study to demonstrate the utility of the 2D-contour maps to design novel drug-like molecules is performed using a dataset of some anti-HIV-1 2-amino-6-arylsulfonylbenzonitriles and derivatives, and the inferences obtained are consistent with other reports in the literature. In addition, the different schemes for encoding atomic properties in molecules are discussed and evaluated.

Bitterness intensity prediction of berberine hydrochloride using an electronic tongue and a GA-BP neural network.

PubMed

Liu, Ruixin; Zhang, Xiaodong; Zhang, Lu; Gao, Xiaojie; Li, Huiling; Shi, Junhan; Li, Xuelin

2014-06-01

The aim of this study was to predict the bitterness intensity of a drug using an electronic tongue (e-tongue). The model drug of berberine hydrochloride was used to establish a bitterness prediction model (BPM), based on the taste evaluation of bitterness intensity by a taste panel, the data provided by the e-tongue and a genetic algorithm-back-propagation neural network (GA-BP) modeling method. The modeling characteristics of the GA-BP were compared with those of multiple linear regression, partial least square regression and BP methods. The determination coefficient of the BPM was 0.99965±0.00004, the root mean square error of cross-validation was 0.1398±0.0488 and the correlation coefficient of the cross-validation between the true and predicted values was 0.9959±0.0027. The model is superior to the other three models based on these indicators. In conclusion, the model established in this study has a high fitting degree and may be used for the bitterness prediction modeling of berberine hydrochloride of different concentrations. The model also provides a reference for the generation of BPMs of other drugs. Additionally, the algorithm of the study is able to conduct a rapid and accurate quantitative analysis of the data provided by the e-tongue.

Bitterness intensity prediction of berberine hydrochloride using an electronic tongue and a GA-BP neural network

PubMed Central

LIU, RUIXIN; ZHANG, XIAODONG; ZHANG, LU; GAO, XIAOJIE; LI, HUILING; SHI, JUNHAN; LI, XUELIN

2014-01-01

The aim of this study was to predict the bitterness intensity of a drug using an electronic tongue (e-tongue). The model drug of berberine hydrochloride was used to establish a bitterness prediction model (BPM), based on the taste evaluation of bitterness intensity by a taste panel, the data provided by the e-tongue and a genetic algorithm-back-propagation neural network (GA-BP) modeling method. The modeling characteristics of the GA-BP were compared with those of multiple linear regression, partial least square regression and BP methods. The determination coefficient of the BPM was 0.99965±0.00004, the root mean square error of cross-validation was 0.1398±0.0488 and the correlation coefficient of the cross-validation between the true and predicted values was 0.9959±0.0027. The model is superior to the other three models based on these indicators. In conclusion, the model established in this study has a high fitting degree and may be used for the bitterness prediction modeling of berberine hydrochloride of different concentrations. The model also provides a reference for the generation of BPMs of other drugs. Additionally, the algorithm of the study is able to conduct a rapid and accurate quantitative analysis of the data provided by the e-tongue. PMID:24926369

Weighted Lq-estimates for stationary Stokes system with partially BMO coefficients

NASA Astrophysics Data System (ADS)

Dong, Hongjie; Kim, Doyoon

2018-04-01

We prove the unique solvability of solutions in Sobolev spaces to the stationary Stokes system on a bounded Reifenberg flat domain when the coefficients are partially BMO functions, i.e., locally they are merely measurable in one direction and have small mean oscillations in the other directions. Using this result, we establish the unique solvability in Muckenhoupt type weighted Sobolev spaces for the system with partially BMO coefficients on a Reifenberg flat domain. We also present weighted a priori Lq-estimates for the system when the domain is the whole Euclidean space or a half space.

Viability estimation of pepper seeds using time-resolved photothermal signal characterization

NASA Astrophysics Data System (ADS)

Kim, Ghiseok; Kim, Geon-Hee; Lohumi, Santosh; Kang, Jum-Soon; Cho, Byoung-Kwan

2014-11-01

We used infrared thermal signal measurement system and photothermal signal and image reconstruction techniques for viability estimation of pepper seeds. Photothermal signals from healthy and aged seeds were measured for seven periods (24, 48, 72, 96, 120, 144, and 168 h) using an infrared camera and analyzed by a regression method. The photothermal signals were regressed using a two-term exponential decay curve with two amplitudes and two time variables (lifetime) as regression coefficients. The regression coefficients of the fitted curve showed significant differences for each seed groups, depending on the aging times. In addition, the viability of a single seed was estimated by imaging of its regression coefficient, which was reconstructed from the measured photothermal signals. The time-resolved photothermal characteristics, along with the regression coefficient images, can be used to discriminate the aged or dead pepper seeds from the healthy seeds.

Serum biomarkers of habitual coffee consumption may provide insight into the mechanism underlying the association between coffee consumption and colorectal cancer.

PubMed

Guertin, Kristin A; Loftfield, Erikka; Boca, Simina M; Sampson, Joshua N; Moore, Steven C; Xiao, Qian; Huang, Wen-Yi; Xiong, Xiaoqin; Freedman, Neal D; Cross, Amanda J; Sinha, Rashmi

2015-05-01

Coffee intake may be inversely associated with colorectal cancer; however, previous studies have been inconsistent. Serum coffee metabolites are integrated exposure measures that may clarify associations with cancer and elucidate underlying mechanisms. Our aims were 2-fold as follows: 1) to identify serum metabolites associated with coffee intake and 2) to examine these metabolites in relation to colorectal cancer. In a nested case-control study of 251 colorectal cancer cases and 247 matched control subjects from the Prostate, Lung, Colorectal, and Ovarian Cancer Screening Trial, we conducted untargeted metabolomics analyses of baseline serum by using ultrahigh-performance liquid-phase chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry. Usual coffee intake was self-reported in a food-frequency questionnaire. We used partial Pearson correlations and linear regression to identify serum metabolites associated with coffee intake and conditional logistic regression to evaluate associations between coffee metabolites and colorectal cancer. After Bonferroni correction for multiple comparisons (P = 0.05 ÷ 657 metabolites), 29 serum metabolites were positively correlated with coffee intake (partial correlation coefficients: 0.18-0.61; P < 7.61 × 10(-5)); serum metabolites most highly correlated with coffee intake (partial correlation coefficients >0.40) included trigonelline (N'-methylnicotinate), quinate, and 7 unknown metabolites. Of 29 serum metabolites, 8 metabolites were directly related to caffeine metabolism, and 3 of these metabolites, theophylline (OR for 90th compared with 10th percentiles: 0.44; 95% CI: 0.25, 0.79; P-linear trend = 0.006), caffeine (OR for 90th compared with 10th percentiles: 0.56; 95% CI: 0.35, 0.89; P-linear trend = 0.015), and paraxanthine (OR for 90th compared with 10th percentiles: 0.58; 95% CI: 0.36, 0.94; P-linear trend = 0.027), were inversely associated with colorectal cancer. Serum metabolites can distinguish coffee drinkers from nondrinkers; some caffeine-related metabolites were inversely associated with colorectal cancer and should be studied further to clarify the role of coffee in the cause of colorectal cancer. The Prostate, Lung, Colorectal, and Ovarian trial was registered at clinicaltrials.gov as NCT00002540. © 2015 American Society for Nutrition.

Use of the Priestley-Taylor evaporation equation for soil water limited conditions in a small forest clearcut

USGS Publications Warehouse

Flint, A.L.; Childs, S.W.

1991-01-01

The Priestley-Taylor equation, a simplification of the Penman equation, was used to allow calculations of evapotranspiration under conditions where soil water supply limits evapotranspiration. The Priestley-Taylor coefficient, ??, was calculated to incorporate an exponential decrease in evapotranspiration as soil water content decreases. The method is appropriate for use when detailed meteorological measurements are not available. The data required to determine the parameter for the ?? coefficient are net radiation, soil heat flux, average air temperature, and soil water content. These values can be obtained from measurements or models. The dataset used in this report pertains to a partially vegetated clearcut forest site in southwest Oregon with soil depths ranging from 0.48 to 0.70 m and weathered bedrock below that. Evapotranspiration was estimated using the Bowen ratio method, and the calculated Priestley-Taylor coefficient was fitted to these estimates by nonlinear regression. The calculated Priestley-Taylor coefficient (?????) was found to be approximately 0.9 when the soil was near field capacity (0.225 cm3 cm-3). It was not until soil water content was less than 0.14 cm3 cm-3 that soil water supply limited evapotranspiration. The soil reached a final residual water content near 0.05 cm3 cm-3 at the end of the growing season. ?? 1991.

Comparison of partial least squares and lasso regression techniques as applied to laser-induced breakdown spectroscopy of geological samples

NASA Astrophysics Data System (ADS)

Dyar, M. D.; Carmosino, M. L.; Breves, E. A.; Ozanne, M. V.; Clegg, S. M.; Wiens, R. C.

2012-04-01

A remote laser-induced breakdown spectrometer (LIBS) designed to simulate the ChemCam instrument on the Mars Science Laboratory Rover Curiosity was used to probe 100 geologic samples at a 9-m standoff distance. ChemCam consists of an integrated remote LIBS instrument that will probe samples up to 7 m from the mast of the rover and a remote micro-imager (RMI) that will record context images. The elemental compositions of 100 igneous and highly-metamorphosed rocks are determined with LIBS using three variations of multivariate analysis, with a goal of improving the analytical accuracy. Two forms of partial least squares (PLS) regression are employed with finely-tuned parameters: PLS-1 regresses a single response variable (elemental concentration) against the observation variables (spectra, or intensity at each of 6144 spectrometer channels), while PLS-2 simultaneously regresses multiple response variables (concentrations of the ten major elements in rocks) against the observation predictor variables, taking advantage of natural correlations between elements. Those results are contrasted with those from the multivariate regression technique of the least absolute shrinkage and selection operator (lasso), which is a penalized shrunken regression method that selects the specific channels for each element that explain the most variance in the concentration of that element. To make this comparison, we use results of cross-validation and of held-out testing, and employ unscaled and uncentered spectral intensity data because all of the input variables are already in the same units. Results demonstrate that the lasso, PLS-1, and PLS-2 all yield comparable results in terms of accuracy for this dataset. However, the interpretability of these methods differs greatly in terms of fundamental understanding of LIBS emissions. PLS techniques generate principal components, linear combinations of intensities at any number of spectrometer channels, which explain as much variance in the response variables as possible while avoiding multicollinearity between principal components. When the selected number of principal components is projected back into the original feature space of the spectra, 6144 correlation coefficients are generated, a small fraction of which are mathematically significant to the regression. In contrast, the lasso models require only a small number (< 24) of non-zero correlation coefficients (β values) to determine the concentration of each of the ten major elements. Causality between the positively-correlated emission lines chosen by the lasso and the elemental concentration was examined. In general, the higher the lasso coefficient (β), the greater the likelihood that the selected line results from an emission of that element. Emission lines with negative β values should arise from elements that are anti-correlated with the element being predicted. For elements except Fe, Al, Ti, and P, the lasso-selected wavelength with the highest β value corresponds to the element being predicted, e.g. 559.8 nm for neutral Ca. However, the specific lines chosen by the lasso with positive β values are not always those from the element being predicted. Other wavelengths and the elements that most strongly correlate with them to predict concentration are obviously related to known geochemical correlations or close overlap of emission lines, while others must result from matrix effects. Use of the lasso technique thus directly informs our understanding of the underlying physical processes that give rise to LIBS emissions by determining which lines can best represent concentration, and which lines from other elements are causing matrix effects.

Impact of multicollinearity on small sample hydrologic regression models

NASA Astrophysics Data System (ADS)

Kroll, Charles N.; Song, Peter

2013-06-01

Often hydrologic regression models are developed with ordinary least squares (OLS) procedures. The use of OLS with highly correlated explanatory variables produces multicollinearity, which creates highly sensitive parameter estimators with inflated variances and improper model selection. It is not clear how to best address multicollinearity in hydrologic regression models. Here a Monte Carlo simulation is developed to compare four techniques to address multicollinearity: OLS, OLS with variance inflation factor screening (VIF), principal component regression (PCR), and partial least squares regression (PLS). The performance of these four techniques was observed for varying sample sizes, correlation coefficients between the explanatory variables, and model error variances consistent with hydrologic regional regression models. The negative effects of multicollinearity are magnified at smaller sample sizes, higher correlations between the variables, and larger model error variances (smaller R2). The Monte Carlo simulation indicates that if the true model is known, multicollinearity is present, and the estimation and statistical testing of regression parameters are of interest, then PCR or PLS should be employed. If the model is unknown, or if the interest is solely on model predictions, is it recommended that OLS be employed since using more complicated techniques did not produce any improvement in model performance. A leave-one-out cross-validation case study was also performed using low-streamflow data sets from the eastern United States. Results indicate that OLS with stepwise selection generally produces models across study regions with varying levels of multicollinearity that are as good as biased regression techniques such as PCR and PLS.

Determination of total iron-reactive phenolics, anthocyanins and tannins in wine grapes of skins and seeds based on near-infrared hyperspectral imaging.

PubMed

Zhang, Ni; Liu, Xu; Jin, Xiaoduo; Li, Chen; Wu, Xuan; Yang, Shuqin; Ning, Jifeng; Yanne, Paul

2017-12-15

Phenolics contents in wine grapes are key indicators for assessing ripeness. Near-infrared hyperspectral images during ripening have been explored to achieve an effective method for predicting phenolics contents. Principal component regression (PCR), partial least squares regression (PLSR) and support vector regression (SVR) models were built, respectively. The results show that SVR behaves globally better than PLSR and PCR, except in predicting tannins content of seeds. For the best prediction results, the squared correlation coefficient and root mean square error reached 0.8960 and 0.1069g/L (+)-catechin equivalents (CE), respectively, for tannins in skins, 0.9065 and 0.1776 (g/L CE) for total iron-reactive phenolics (TIRP) in skins, 0.8789 and 0.1442 (g/L M3G) for anthocyanins in skins, 0.9243 and 0.2401 (g/L CE) for tannins in seeds, and 0.8790 and 0.5190 (g/L CE) for TIRP in seeds. Our results indicated that NIR hyperspectral imaging has good prospects for evaluation of phenolics in wine grapes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Harvest-time prediction of apple physiological indices using fiber optic Fourier transform near-infrared spectrometer

NASA Astrophysics Data System (ADS)

Liu, Yande; Ying, Yibin; Lu, Huishan; Fu, Xiaping

2004-12-01

This work evaluates the feasibility of Fourier transform near infrared (FT-NIR) spectrometry for rapid determining the total soluble solids content and acidity of apple fruit. Intact apple fruit were measured by reflectance FT-NIR in 800-2500 nm range. FT-NIR models were developed based on partial least square (PLS) regression and principal component regress (PCR) with respect to the reflectance and its first derivative, the logarithms of the reflectance reciprocal and its second derivative. The above regression models, related the FT-NIR spectra to soluble solids content (SSC), titratable acidity (TA) and available acidity (pH). The best combination, based on the prediction results, was PLS models with respect to the logarithms of the reflectance reciprocal. Predictions with PLS models resulted standard errors of prediction (SEP) of 0.455, 0.044 and 0.068, and correlation coefficients of 0.968, 0.728 and 0.831 for SSC, TA and pH, respectively. It was concluded that by using the FT-NIR spectrometry measurement system, in the appropriate spectral range, it is possible to nondestructively assess the maturity factors of apple fruit.

Penalized spline estimation for functional coefficient regression models.

PubMed

Cao, Yanrong; Lin, Haiqun; Wu, Tracy Z; Yu, Yan

2010-04-01

The functional coefficient regression models assume that the regression coefficients vary with some "threshold" variable, providing appreciable flexibility in capturing the underlying dynamics in data and avoiding the so-called "curse of dimensionality" in multivariate nonparametric estimation. We first investigate the estimation, inference, and forecasting for the functional coefficient regression models with dependent observations via penalized splines. The P-spline approach, as a direct ridge regression shrinkage type global smoothing method, is computationally efficient and stable. With established fixed-knot asymptotics, inference is readily available. Exact inference can be obtained for fixed smoothing parameter λ, which is most appealing for finite samples. Our penalized spline approach gives an explicit model expression, which also enables multi-step-ahead forecasting via simulations. Furthermore, we examine different methods of choosing the important smoothing parameter λ: modified multi-fold cross-validation (MCV), generalized cross-validation (GCV), and an extension of empirical bias bandwidth selection (EBBS) to P-splines. In addition, we implement smoothing parameter selection using mixed model framework through restricted maximum likelihood (REML) for P-spline functional coefficient regression models with independent observations. The P-spline approach also easily allows different smoothness for different functional coefficients, which is enabled by assigning different penalty λ accordingly. We demonstrate the proposed approach by both simulation examples and a real data application.

[Effects of body mass index and age on the treatment of in vitro fertilization-embryo transfer among patients with non-polycystic ovarian syndrome].

PubMed

Chen, Hong; Wang, Wen-jun; Chen, Yu-zhen; Mai, Mei-qi; Ouyang, Neng-yong; Chen, Jing-hua; Tuo, Ping

2010-05-01

To investigate the impacts of body mass index (BMI) and age on in vitro fertilization-embryo transfer (IVF) and intracytoplasmic sperm injection (ICSI) treatment in infertile patients without polycystic ovary syndrome (PCOS). A retrospective study of 1426 patients during Jun. 2001 - Nov. 2009 was carried out. Multiple regression was used to analyze the effects of BMI (low weight: BMI < 18.5 kg/m(2), normal weight: BMI 18.5 - 23.99 kg/m(2) and over weight-obesity: BMI ≥ 24 kg/m(2)) and age (young: 20 - 34 years old, eld: 35 - 45 years old) on controlled ovarian stimulation (COH) [including: dose and duration of Gn, E2 level on day of human chorionic gonadotropin (HCG) administration, number of oocytes collected and full-grown follicles], number of fertilization, cleavage, two-pronucleus, normal embryos and cryopreserved embryos and clinical pregnancy outcome. (1) Gn dose for the patients whose age were 35 and the above, had a positive correlation with age (P < 0.001), 12.70% of the total variation of Gn dose was related to age (standardized partial regression coefficient was 0.343). (2) Estradiol level on day of HCG administration had a negative correlation with BMI in overweight-obesity patients, and so were the patients whose age were 35 and above (P value respectively lower than 0.037 and 0.018). 0.80% of the total variation of estradiol (HCG day) is related to age and overweight-obesity while age took greater proportion (standardized partial regression coefficients were 0.066 and 0.058 respectively). (3) For older patients, age appeared to have negative relationships with duration of Gn and number of oocytes collected, full-grown follicles, fertilization, cleavage, two-pronucleus, normal embryos and cryopreserved embryos (P < 0.05). (4) Compared to young-normal weight patients, the odds ratio of pregnancy in eld-low weight and eld-overweight-obesity patients were 0.482 and 0.529 (P < 0.05) respectively. Age, but not the BMI, had significant effects on IVF/ICSI treatment. It seems that factors as losing weight before IVF or ICSI treatment effective in reducing the dose of Gn.

Association between response rates and survival outcomes in patients with newly diagnosed multiple myeloma. A systematic review and meta-regression analysis.

PubMed

Mainou, Maria; Madenidou, Anastasia-Vasiliki; Liakos, Aris; Paschos, Paschalis; Karagiannis, Thomas; Bekiari, Eleni; Vlachaki, Efthymia; Wang, Zhen; Murad, Mohammad Hassan; Kumar, Shaji; Tsapas, Apostolos

2017-06-01

We performed a systematic review and meta-regression analysis of randomized control trials to investigate the association between response to initial treatment and survival outcomes in patients with newly diagnosed multiple myeloma (MM). Response outcomes included complete response (CR) and the combined outcome of CR or very good partial response (VGPR), while survival outcomes were overall survival (OS) and progression-free survival (PFS). We used random-effect meta-regression models and conducted sensitivity analyses based on definition of CR and study quality. Seventy-two trials were included in the systematic review, 63 of which contributed data in meta-regression analyses. There was no association between OS and CR in patients without autologous stem cell transplant (ASCT) (regression coefficient: .02, 95% confidence interval [CI] -0.06, 0.10), in patients undergoing ASCT (-.11, 95% CI -0.44, 0.22) and in trials comparing ASCT with non-ASCT patients (.04, 95% CI -0.29, 0.38). Similarly, OS did not correlate with the combined metric of CR or VGPR, and no association was evident between response outcomes and PFS. Sensitivity analyses yielded similar results. This meta-regression analysis suggests that there is no association between conventional response outcomes and survival in patients with newly diagnosed MM. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Hidden Connections between Regression Models of Strain-Gage Balance Calibration Data

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert

2013-01-01

Hidden connections between regression models of wind tunnel strain-gage balance calibration data are investigated. These connections become visible whenever balance calibration data is supplied in its design format and both the Iterative and Non-Iterative Method are used to process the data. First, it is shown how the regression coefficients of the fitted balance loads of a force balance can be approximated by using the corresponding regression coefficients of the fitted strain-gage outputs. Then, data from the manual calibration of the Ames MK40 six-component force balance is chosen to illustrate how estimates of the regression coefficients of the fitted balance loads can be obtained from the regression coefficients of the fitted strain-gage outputs. The study illustrates that load predictions obtained by applying the Iterative or the Non-Iterative Method originate from two related regression solutions of the balance calibration data as long as balance loads are given in the design format of the balance, gage outputs behave highly linear, strict statistical quality metrics are used to assess regression models of the data, and regression model term combinations of the fitted loads and gage outputs can be obtained by a simple variable exchange.

Prediction of soil organic carbon with different parent materials development using visible-near infrared spectroscopy.

PubMed

Liu, Jinbao; Han, Jichang; Zhang, Yang; Wang, Huanyuan; Kong, Hui; Shi, Lei

2018-06-05

The storage of soil organic carbon (SOC) should improve soil fertility. Conventional determination of SOC is expensive and tedious. Visible-near infrared reflectance spectroscopy is a practical and cost-effective approach that has been successfully used SOC concentration. Soil spectral inversion model could quickly and efficiently determine SOC content. This paper presents a study dealing with SOC estimation through the combination of soil spectroscopy and stepwise multiple linear regression (SMLR), partial least squares regression (PLSR), principal component regression (PCR). Spectral measurements for 106 soil samples were acquired using an ASD FieldSpec 4 standard-res spectroradiometer (350-2500 nm). Six types of transformations and three regression methods were applied to build for the quantification of different parent materials development soil. The results show that (1)the basaltic volcanic clastics development of SOC spectral response bands located in 500 nm, 800 nm; Trachyte spectral response of the soil quality, and the volcanic clastics development at 405 nm, 465 nm, 575 nm, 1105 nm. (2) Basaltic volcanic debris soil development, first deviation of maximum correlation coefficient is 0.8898; thick surface soil of the development of rocky volcanic debris from bottom reflectivity logarithm of first deviation of maximum correlation coefficient is 0.9029. (3) Soil organic matter content of basaltic volcanic clastics development optimal prediction model based on spectral reflectance inverse logarithms of first deviation of SMLR. Independent variable number is 7, Rv 2  = 0.9720, RMSEP = 2.0590, sig = 0.003. Trachyte qualitative volcanic clastics developed soil organic matter content of the optimal prediction model based on spectral reflectance inverse logarithms of first deviation of PLSR. Model number of the independent variables Pc = 5, Rc = 0.9872, Rc 2  = 0.9745, RMSEC = 0.4821, SEC = 0.4906, forecasts determine coefficient Rv 2  = 0.9702, RMSEP = 0.9563, SEP = 0.9711, Bias = 0.0637. Copyright © 2018 Elsevier B.V. All rights reserved.

Estimating varying coefficients for partial differential equation models.

PubMed

Zhang, Xinyu; Cao, Jiguo; Carroll, Raymond J

2017-09-01

Partial differential equations (PDEs) are used to model complex dynamical systems in multiple dimensions, and their parameters often have important scientific interpretations. In some applications, PDE parameters are not constant but can change depending on the values of covariates, a feature that we call varying coefficients. We propose a parameter cascading method to estimate varying coefficients in PDE models from noisy data. Our estimates of the varying coefficients are shown to be consistent and asymptotically normally distributed. The performance of our method is evaluated by a simulation study and by an empirical study estimating three varying coefficients in a PDE model arising from LIDAR data. © 2017, The International Biometric Society.

Wrong Signs in Regression Coefficients

NASA Technical Reports Server (NTRS)

McGee, Holly

1999-01-01

When using parametric cost estimation, it is important to note the possibility of the regression coefficients having the wrong sign. A wrong sign is defined as a sign on the regression coefficient opposite to the researcher's intuition and experience. Some possible causes for the wrong sign discussed in this paper are a small range of x's, leverage points, missing variables, multicollinearity, and computational error. Additionally, techniques for determining the cause of the wrong sign are given.

Soil sail content estimation in the yellow river delta with satellite hyperspectral data

USGS Publications Warehouse

Weng, Yongling; Gong, Peng; Zhu, Zhi-Liang

2008-01-01

Soil salinization is one of the most common land degradation processes and is a severe environmental hazard. The primary objective of this study is to investigate the potential of predicting salt content in soils with hyperspectral data acquired with EO-1 Hyperion. Both partial least-squares regression (PLSR) and conventional multiple linear regression (MLR), such as stepwise regression (SWR), were tested as the prediction model. PLSR is commonly used to overcome the problem caused by high-dimensional and correlated predictors. Chemical analysis of 95 samples collected from the top layer of soils in the Yellow River delta area shows that salt content was high on average, and the dominant chemicals in the saline soil were NaCl and MgCl2. Multivariate models were established between soil contents and hyperspectral data. Our results indicate that the PLSR technique with laboratory spectral data has a strong prediction capacity. Spectral bands at 1487-1527, 1971-1991, 2032-2092, and 2163-2355 nm possessed large absolute values of regression coefficients, with the largest coefficient at 2203 nm. We obtained a root mean squared error (RMSE) for calibration (with 61 samples) of RMSEC = 0.753 (R2 = 0.893) and a root mean squared error for validation (with 30 samples) of RMSEV = 0.574. The prediction model was applied on a pixel-by-pixel basis to a Hyperion reflectance image to yield a quantitative surface distribution map of soil salt content. The result was validated successfully from 38 sampling points. We obtained an RMSE estimate of 1.037 (R2 = 0.784) for the soil salt content map derived by the PLSR model. The salinity map derived from the SWR model shows that the predicted value is higher than the true value. These results demonstrate that the PLSR method is a more suitable technique than stepwise regression for quantitative estimation of soil salt content in a large area. ?? 2008 CASI.

Noninvasive spectral imaging of skin chromophores based on multiple regression analysis aided by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Nishidate, Izumi; Wiswadarma, Aditya; Hase, Yota; Tanaka, Noriyuki; Maeda, Takaaki; Niizeki, Kyuichi; Aizu, Yoshihisa

2011-08-01

In order to visualize melanin and blood concentrations and oxygen saturation in human skin tissue, a simple imaging technique based on multispectral diffuse reflectance images acquired at six wavelengths (500, 520, 540, 560, 580 and 600nm) was developed. The technique utilizes multiple regression analysis aided by Monte Carlo simulation for diffuse reflectance spectra. Using the absorbance spectrum as a response variable and the extinction coefficients of melanin, oxygenated hemoglobin, and deoxygenated hemoglobin as predictor variables, multiple regression analysis provides regression coefficients. Concentrations of melanin and total blood are then determined from the regression coefficients using conversion vectors that are deduced numerically in advance, while oxygen saturation is obtained directly from the regression coefficients. Experiments with a tissue-like agar gel phantom validated the method. In vivo experiments with human skin of the human hand during upper limb occlusion and of the inner forearm exposed to UV irradiation demonstrated the ability of the method to evaluate physiological reactions of human skin tissue.

The Extent and Prediction of Heavy Metal Pollution in Soils of Shahrood and Damghan, Iran.

PubMed

Sakizadeh, Mohamad; Mirzaei, Rouhollah; Ghorbani, Hadi

2015-12-01

The levels of 12 heavy metals (Ag, Ba, Be, Cd, Co, Cr, Cu, Ni, Pb, Tl, V, Zn) were considered in 229 soil samples in Semnan Province, Iran. To discriminate between natural and anthropogenic inputs of heavy metals, factor analysis was used. Seven factors accounting for 90.5 % of the total variance were extracted. The mining and agricultural activities along with geogenic sources have been attributed as the main causes of the levels of heavy metals in the study area. The partial least squares regression was utilized to predict the level of soil pollution index (SPI) considering the concentrations of 12 heavy metals. The eigenvectors from the first three PLS represented more than 98 % of the overall variance. The correlation coefficient between the observed and predicted SPI was 0.99 indicating the high efficiency of this method. The resultant coefficient of determination for three PLS components was 0.984 confirming the predictive ability of this method.

Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data.

PubMed

Daré, Joyce K; Silva, Cristina F; Freitas, Matheus P

2017-10-01

Soil sorption of insecticides employed in agriculture is an important parameter to probe the environmental fate of organic chemicals. Therefore, methods for the prediction of soil sorption of new agrochemical candidates, as well as for the rationalization of the molecular characteristics responsible for a given sorption profile, are extremely beneficial for the environment. A quantitative structure-property relationship method based on chemical structure images as molecular descriptors provided a reliable model for the soil sorption prediction of 24 widely used organophosphorus insecticides. By means of contour maps obtained from the partial least squares regression coefficients and the variable importance in projection scores, key molecular moieties were targeted for possible structural modification, in order to obtain novel and more environmentally friendly insecticide candidates. The image-based descriptors applied encode molecular arrangement, atoms connectivity, groups size, and polarity; consequently, the findings in this work cannot be achieved by a simple relationship with hydrophobicity, usually described by the octanol-water partition coefficient. Copyright © 2017 Elsevier Inc. All rights reserved.

A graphical method to evaluate spectral preprocessing in multivariate regression calibrations: example with Savitzky-Golay filters and partial least squares regression.

PubMed

Delwiche, Stephen R; Reeves, James B

2010-01-01

In multivariate regression analysis of spectroscopy data, spectral preprocessing is often performed to reduce unwanted background information (offsets, sloped baselines) or accentuate absorption features in intrinsically overlapping bands. These procedures, also known as pretreatments, are commonly smoothing operations or derivatives. While such operations are often useful in reducing the number of latent variables of the actual decomposition and lowering residual error, they also run the risk of misleading the practitioner into accepting calibration equations that are poorly adapted to samples outside of the calibration. The current study developed a graphical method to examine this effect on partial least squares (PLS) regression calibrations of near-infrared (NIR) reflection spectra of ground wheat meal with two analytes, protein content and sodium dodecyl sulfate sedimentation (SDS) volume (an indicator of the quantity of the gluten proteins that contribute to strong doughs). These two properties were chosen because of their differing abilities to be modeled by NIR spectroscopy: excellent for protein content, fair for SDS sedimentation volume. To further demonstrate the potential pitfalls of preprocessing, an artificial component, a randomly generated value, was included in PLS regression trials. Savitzky-Golay (digital filter) smoothing, first-derivative, and second-derivative preprocess functions (5 to 25 centrally symmetric convolution points, derived from quadratic polynomials) were applied to PLS calibrations of 1 to 15 factors. The results demonstrated the danger of an over reliance on preprocessing when (1) the number of samples used in a multivariate calibration is low (<50), (2) the spectral response of the analyte is weak, and (3) the goodness of the calibration is based on the coefficient of determination (R(2)) rather than a term based on residual error. The graphical method has application to the evaluation of other preprocess functions and various types of spectroscopy data.

Anthropometric Survey of US Army Personnel (1988): Correlation Coefficients and Regression Equations. Part 3. Simple and Partial Correlation Tables--Female

DTIC Science & Technology

1990-05-01

XL 4L1 -. 101’ .046 - .0&3 .0609 .111’ 41 cXNLCX - .084 .034...ptrMA"g .. u 114 O( Xl .131’ .064 .0-S5v .057 .1260 - .o41 - .194& -. 074 -. 015 " 4 1 pw’UAf., 011 film 2. .i %A* 1140 OW1 .11so Mi# .󈧔 .0CA1 .06A 246...9. .1 -i .Cý3 .062 -.443’ . W.3 .320’ JhO’ -. 018 .046 Q2 CRLF91I -.1󈧣 - . l(’ .04-4 .1103 - .2𔄂’ .812* .320’ .566’ .006 -.006 43 ’ XL "~-.~S

Salting-out assisted liquid-liquid extraction and partial least squares regression to assay low molecular weight polycyclic aromatic hydrocarbons leached from soils and sediments

NASA Astrophysics Data System (ADS)

Bressan, Lucas P.; do Nascimento, Paulo Cícero; Schmidt, Marcella E. P.; Faccin, Henrique; de Machado, Leandro Carvalho; Bohrer, Denise

2017-02-01

A novel method was developed to determine low molecular weight polycyclic aromatic hydrocarbons in aqueous leachates from soils and sediments using a salting-out assisted liquid-liquid extraction, synchronous fluorescence spectrometry and a multivariate calibration technique. Several experimental parameters were controlled and the optimum conditions were: sodium carbonate as the salting-out agent at concentration of 2 mol L- 1, 3 mL of acetonitrile as extraction solvent, 6 mL of aqueous leachate, vortexing for 5 min and centrifuging at 4000 rpm for 5 min. The partial least squares calibration was optimized to the lowest values of root mean squared error and five latent variables were chosen for each of the targeted compounds. The regression coefficients for the true versus predicted concentrations were higher than 0.99. Figures of merit for the multivariate method were calculated, namely sensitivity, multivariate detection limit and multivariate quantification limit. The selectivity was also evaluated and other polycyclic aromatic hydrocarbons did not interfere in the analysis. Likewise, high performance liquid chromatography was used as a comparative methodology, and the regression analysis between the methods showed no statistical difference (t-test). The proposed methodology was applied to soils and sediments of a Brazilian river and the recoveries ranged from 74.3% to 105.8%. Overall, the proposed methodology was suitable for the targeted compounds, showing that the extraction method can be applied to spectrofluorometric analysis and that the multivariate calibration is also suitable for these compounds in leachates from real samples.

Estimating cardiorespiratory fitness in well-functioning older adults: treadmill validation of the long distance corridor walk.

PubMed

Simonsick, Eleanor M; Fan, Ellen; Fleg, Jerome L

2006-01-01

To determine criterion validity of the 400-m walk component of the Long Distance Corridor Walk (LDCW) and develop equations for estimating peak oxygen consumption (VO2) from 400-m time and factors intrinsic to test performance (e.g., heart rate (HR) and systolic blood pressure (SBP) response) in older adults. Cross-sectional validation study. Gerontology Research Center, National Institute on Aging, Baltimore, Maryland. Healthy volunteers (56 men and 46 women) aged 60 to 91 participating in the Baltimore Longitudinal Study of Aging between August 1999 and July 2000. The LDCW, consisting of a 2-minute walk followed immediately by a 400-m walk "done as quickly as possible" over a 20-m course was administered the day after maximal treadmill testing. HR and SBP were measured before testing and at the end of the 400-m walk. Weight, height, activity level, perceived effort, and stride length were also acquired. Peak VO2 ranged from 12.2 to 31.1 mL oxygen/kg per minute, and 400-m time ranged from 2 minutes 52 seconds to 6 minutes 18 seconds. Correlation between 400-m time and peak VO2 was -0.79. The estimating equation from linear regression included 400-m time (partial coefficient of determination (R2)=0.625), long versus short stride (partial R2=0.090), ending SBP (partial R2=0.019), and a correction factor for fast 400-m time (<240 seconds; partial R2=0.020) and explained 75.5% of the variance in peak VO2 (correlation coefficient=0.87). A 400-m walk performed as part of the LDCW provides a valid estimate of peak VO2 in older adults. Incorporating low-cost, safe assessments of fitness in clinical and research settings can identify early evidence of physical decline and individuals who may benefit from therapeutic interventions.

Pragmatic estimation of a spatio-temporal air quality model with irregular monitoring data

NASA Astrophysics Data System (ADS)

Sampson, Paul D.; Szpiro, Adam A.; Sheppard, Lianne; Lindström, Johan; Kaufman, Joel D.

2011-11-01

Statistical analyses of health effects of air pollution have increasingly used GIS-based covariates for prediction of ambient air quality in "land use" regression models. More recently these spatial regression models have accounted for spatial correlation structure in combining monitoring data with land use covariates. We present a flexible spatio-temporal modeling framework and pragmatic, multi-step estimation procedure that accommodates essentially arbitrary patterns of missing data with respect to an ideally complete space by time matrix of observations on a network of monitoring sites. The methodology incorporates a model for smooth temporal trends with coefficients varying in space according to Partial Least Squares regressions on a large set of geographic covariates and nonstationary modeling of spatio-temporal residuals from these regressions. This work was developed to provide spatial point predictions of PM 2.5 concentrations for the Multi-Ethnic Study of Atherosclerosis and Air Pollution (MESA Air) using irregular monitoring data derived from the AQS regulatory monitoring network and supplemental short-time scale monitoring campaigns conducted to better predict intra-urban variation in air quality. We demonstrate the interpretation and accuracy of this methodology in modeling data from 2000 through 2006 in six U.S. metropolitan areas and establish a basis for likelihood-based estimation.

Statistical downscaling modeling with quantile regression using lasso to estimate extreme rainfall

NASA Astrophysics Data System (ADS)

Santri, Dewi; Wigena, Aji Hamim; Djuraidah, Anik

2016-02-01

Rainfall is one of the climatic elements with high diversity and has many negative impacts especially extreme rainfall. Therefore, there are several methods that required to minimize the damage that may occur. So far, Global circulation models (GCM) are the best method to forecast global climate changes include extreme rainfall. Statistical downscaling (SD) is a technique to develop the relationship between GCM output as a global-scale independent variables and rainfall as a local- scale response variable. Using GCM method will have many difficulties when assessed against observations because GCM has high dimension and multicollinearity between the variables. The common method that used to handle this problem is principal components analysis (PCA) and partial least squares regression. The new method that can be used is lasso. Lasso has advantages in simultaneuosly controlling the variance of the fitted coefficients and performing automatic variable selection. Quantile regression is a method that can be used to detect extreme rainfall in dry and wet extreme. Objective of this study is modeling SD using quantile regression with lasso to predict extreme rainfall in Indramayu. The results showed that the estimation of extreme rainfall (extreme wet in January, February and December) in Indramayu could be predicted properly by the model at quantile 90th.

100-point scale evaluating job satisfaction and the results of the 12-item General Health Questionnaire in occupational workers.

PubMed

Kawada, Tomoyuki; Yamada, Natsuki

2012-01-01

Job satisfaction is an important factor in the occupational lives of workers. In this study, the relationship between one-dimensional scale of job satisfaction and psychological wellbeing was evaluated. A total of 1,742 workers (1,191 men and 551 women) participated. 100-point scale evaluating job satisfaction (0 [extremely dissatisfied] to 100 [extremely satisfied]) and the General Health Questionnaire, 12-item version (GHQ-12) evaluating psychological wellbeing were used. A multiple regression analysis was then used, controlling for gender and age. The change in the GHQ-12 and job satisfaction scores after a two-year interval was also evaluated. The mean age for the subjects was 42.2 years for the men and 36.2 years for the women. The GHQ-12 and job satisfaction scores were significantly correlated in each generation. The partial correlation coefficients between the changes in the two variables, controlling for age, were -0.395 for men and -0.435 for women (p< 0.001). A multiple regression analysis revealed that the 100-point job satisfaction score was associated with the GHQ-12 results (p< 0.001). The adjusted multiple correlation coefficient was 0.275. The 100-point scale, which is a simple and easy tool for evaluating job satisfaction, was significantly associated with psychological wellbeing as judged using the GHQ-12.

[Carbon monoxide tests in a steady state. Uptake and transfer capacity, normal values and lower limits].

PubMed

Ramonatxo, M; Préfaut, C; Guerrero, H; Moutou, H; Bansard, X; Chardon, G

1982-01-01

The aim of this study was to establish data which would best demonstrate the variations of different tests using Carbon Monoxide as a tracer gas (total and partial functional uptake coefficient and transfer capacity) to establish mean values and lower limits of normal of these tests. Multivariate statistical analysis was used; in the first stage a connection was sought between the fractional uptake coefficient (partial and total) to other parameters, comparing subjects and data. In the second stage the comparison was refined by eliminating the least useful data, trying, despite a small loss of material, to reveal the most important connections, linear or otherwise. The fractional uptake coefficients varied according to sex, also the variation of the partial alveolar-expired fractional uptake equivalent (DuACO) was largely a function of respiratory rate and tidal volume. The alveolar-arterial partial fractional uptake equivalent (DuaCO) depended more on respiratory frequency and age. Finally the total fractional uptake coefficient (DuCO) and the transfer capacity corrected per liter of ventilation (TLCO/V) were functions of these parameters. The last stage of this work, after taking account of the statistical observations consistent with the facts of these physiological hypotheses led to a search for a better way of approaching the laws linking the collected data to the fractional uptake coefficient. The lower limits of normal were arbitrarily defined, separating those 5% of subjects deviating most strongly from the mean. As a result, the relationship between the lower limit of normal and the theoretical mean value was 90% for the partial and total fractional uptake coefficient and 70% for the transfer capacity corrected per liter of ventilation.

Caudal Regression Syndrome with Partial Agenesis of the Corpus callosum and Partial Lobar Holoprosencephaly

PubMed Central

Hashami, Hilal Al; Bataclan, Maria F; Mathew, Mariam; Krishnan, Lalitha

2010-01-01

Caudal regression syndrome is a rare fetal condition of diabetic pregnancy. Although the exact mechanism is not known, hyperglycaemia during embryogenesis seems to act as a teratogen. Independently, caudal regression syndrome (CRS), agenesis of the corpus callosum (ACC) and partial lobar holoprosencephaly (HPE) have been reported in infants of diabetic mothers. To our knowledge, a combination of all these three conditions has not been reported so far. PMID:21509087

Caudal Regression Syndrome with Partial Agenesis of the Corpus callosum and Partial Lobar Holoprosencephaly: Case report.

PubMed

Hashami, Hilal Al; Bataclan, Maria F; Mathew, Mariam; Krishnan, Lalitha

2010-04-01

Caudal regression syndrome is a rare fetal condition of diabetic pregnancy. Although the exact mechanism is not known, hyperglycaemia during embryogenesis seems to act as a teratogen. Independently, caudal regression syndrome (CRS), agenesis of the corpus callosum (ACC) and partial lobar holoprosencephaly (HPE) have been reported in infants of diabetic mothers. To our knowledge, a combination of all these three conditions has not been reported so far.

Femur-bending properties as influenced by gravity. V - Strength vs. calcium and gravity in rats exposed for 2 weeks

NASA Technical Reports Server (NTRS)

Wunder, Charles C.; Cook, Kenneth M.; Watkins, Stanley R.; Moressi, William J.

1987-01-01

The dependence of gravitationally related changes in femur bone strength on the comparable changes in calcium content was investigated in rats exposed to chronic simulations of altered gravity from the 28th to 42nd day of age. Zero G was simulated by harness suspension and 3 G by centrifugation. Bone strength (S) was determined by bending (using modified quasi-static cantilever bending methods and equipment described by Wunder et al., 1977 and 1979) and Ca content (C, by mass pct) determined by atomic absorption spectrometry; results were compared with data obtained on both normal and harnessed control animals at 1 G. Multiple regression showed significant dependence of S upon earth's gravity, independent from C, for which there was no significant coefficient of partial regression. It is suggested that the lack of S/C correlation might have been due to the fact that considerable fraction of the calcium in these young, developing bones has not yet crystallized into the hydroxyapatite which provides strength.

Noninvasive and fast measurement of blood glucose in vivo by near infrared (NIR) spectroscopy

NASA Astrophysics Data System (ADS)

Jintao, Xue; Liming, Ye; Yufei, Liu; Chunyan, Li; Han, Chen

2017-05-01

This research was to develop a method for noninvasive and fast blood glucose assay in vivo. Near-infrared (NIR) spectroscopy, a more promising technique compared to other methods, was investigated in rats with diabetes and normal rats. Calibration models are generated by two different multivariate strategies: partial least squares (PLS) as linear regression method and artificial neural networks (ANN) as non-linear regression method. The PLS model was optimized individually by considering spectral range, spectral pretreatment methods and number of model factors, while the ANN model was studied individually by selecting spectral pretreatment methods, parameters of network topology, number of hidden neurons, and times of epoch. The results of the validation showed the two models were robust, accurate and repeatable. Compared to the ANN model, the performance of the PLS model was much better, with lower root mean square error of validation (RMSEP) of 0.419 and higher correlation coefficients (R) of 96.22%.

Feasibility of using near infrared spectroscopy to detect and quantify an adulterant in high quality sandalwood oil.

PubMed

Kuriakose, Saji; Joe, I Hubert

2013-11-01

Determination of the authenticity of essential oils has become more significant, in recent years, following some illegal adulteration and contamination scandals. The present investigative study focuses on the application of near infrared spectroscopy to detect sample authenticity and quantify economic adulteration of sandalwood oils. Several data pre-treatments are investigated for calibration and prediction using partial least square regression (PLSR). The quantitative data analysis is done using a new spectral approach - full spectrum or sequential spectrum. The optimum number of PLS components is obtained according to the lowest root mean square error of calibration (RMSEC=0.00009% v/v). The lowest root mean square error of prediction (RMSEP=0.00016% v/v) in the test set and the highest coefficient of determination (R(2)=0.99989) are used as the evaluation tools for the best model. A nonlinear method, locally weighted regression (LWR), is added to extract nonlinear information and to compare with the linear PLSR model. Copyright © 2013 Elsevier B.V. All rights reserved.

How to predict the sugariness and hardness of melons: A near-infrared hyperspectral imaging method.

PubMed

Sun, Meijun; Zhang, Dong; Liu, Li; Wang, Zheng

2017-03-01

Hyperspectral imaging (HSI) in the near-infrared (NIR) region (900-1700nm) was used for non-intrusive quality measurements (of sweetness and texture) in melons. First, HSI data from melon samples were acquired to extract the spectral signatures. The corresponding sample sweetness and hardness values were recorded using traditional intrusive methods. Partial least squares regression (PLSR), principal component analysis (PCA), support vector machine (SVM), and artificial neural network (ANN) models were created to predict melon sweetness and hardness values from the hyperspectral data. Experimental results for the three types of melons show that PLSR produces the most accurate results. To reduce the high dimensionality of the hyperspectral data, the weighted regression coefficients of the resulting PLSR models were used to identify the most important wavelengths. On the basis of these wavelengths, each image pixel was used to visualize the sweetness and hardness in all the portions of each sample. Copyright © 2016 Elsevier Ltd. All rights reserved.

Evaluation of aroma enhancement for "Ecolly" dry white wines by mixed inoculation of selected Rhodotorula mucilaginosa and Saccharomyces cerevisiae.

PubMed

Wang, Xing-Chen; Li, Ai-Hua; Dizy, Marta; Ullah, Niamat; Sun, Wei-Xuan; Tao, Yong-Sheng

2017-08-01

To improve the aroma profile of Ecolly dry white wine, the simultaneous and sequential inoculations of selected Rhodotorula mucilaginosa and Saccharomyces cerevisiae were performed in wine making of this work. The two yeasts were mixed in various ratios for making the mixed inoculum. The amount of volatiles and aroma characteristics were determined the following year. Mixed fermentation improved both the varietal and fermentative aroma compound composition, especially that of (Z)-3-hexene-1-ol, nerol oxide, certain acetates and ethyls group compounds. Citrus, sweet fruit, acid fruit, berry, and floral aroma traits were enhanced by mixed fermentation; however, an animal note was introduced upon using higher amounts of R. mucilaginosa. Aroma traits were regressed with volatiles as observed by the partial least-square regression method. Analysis of correlation coefficients revealed that the aroma traits were the multiple interactions of volatile compounds, with the fermentative volatiles having more impact on aroma than varietal compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

Short wavelength Raman spectroscopy applied to the discrimination and characterization of three cultivars of extra virgin olive oils in different maturation stages.

PubMed

Gouvinhas, Irene; Machado, Nelson; Carvalho, Teresa; de Almeida, José M M M; Barros, Ana I R N A

2015-01-01

Extra virgin olive oils produced from three cultivars on different maturation stages were characterized using Raman spectroscopy. Chemometric methods (principal component analysis, discriminant analysis, principal component regression and partial least squares regression) applied to Raman spectral data were utilized to evaluate and quantify the statistical differences between cultivars and their ripening process. The models for predicting the peroxide value and free acidity of olive oils showed good calibration and prediction values and presented high coefficients of determination (>0.933). Both the R(2), and the correlation equations between the measured chemical parameters, and the values predicted by each approach are presented; these comprehend both PCR and PLS, used to assess SNV normalized Raman data, as well as first and second derivative of the spectra. This study demonstrates that a combination of Raman spectroscopy with multivariate analysis methods can be useful to predict rapidly olive oil chemical characteristics during the maturation process. Copyright © 2014 Elsevier B.V. All rights reserved.

Thermal sensation and comfort during exposure to local airflow to face or legs.

PubMed

Yamashita, Kazuaki; Matsuo, Juntaro; Tochihara, Yutaka; Kondo, Youichiro; Takayama, Shizuka; Nagayama, Hiroki

2005-01-01

The present study examined the contribution of local airflow temperature to thermal sensation and comfort in humans. Eight healthy male students were exposed to local airflow to their faces (summer condition) or legs (winter condition) for 30 minutes. Local airflow temperature (Tf) was maintained at 18 degrees C to 36 degrees C, and ambient temperature (Ta) was maintained at 17.4 degrees C to 31.4 degrees C. Each subject was exposed to 16 conditions chosen from the combination of Tf and Ta. Based on the results of multiple regression analysis, the standardized partial regression coefficient of Tf and Ta were determined to be 0.93 and 0.13 in the summer condition, and 0.71 and 0.36 in the winter condition at the end of the exposure. Also, thermal comfort was observed to depend closely on the interrelation between Tf and Ta. The present data suggested that local airflow temperature is an important thermal factor regarding thermal sensation and comfort.

Structure-activity relationships between sterols and their thermal stability in oil matrix.

PubMed

Hu, Yinzhou; Xu, Junli; Huang, Weisu; Zhao, Yajing; Li, Maiquan; Wang, Mengmeng; Zheng, Lufei; Lu, Baiyi

2018-08-30

Structure-activity relationships between 20 sterols and their thermal stabilities were studied in a model oil system. All sterol degradations were found to be consistent with a first-order kinetic model with determination of coefficient (R 2 ) higher than 0.9444. The number of double bonds in the sterol structure was negatively correlated with the thermal stability of sterol, whereas the length of the branch chain was positively correlated with the thermal stability of sterol. A quantitative structure-activity relationship (QSAR) model to predict thermal stability of sterol was developed by using partial least squares regression (PLSR) combined with genetic algorithm (GA). A regression model was built with R 2 of 0.806. Almost all sterol degradation constants can be predicted accurately with R 2 of cross-validation equals to 0.680. Four important variables were selected in optimal QSAR model and the selected variables were observed to be related with information indices, RDF descriptors, and 3D-MoRSE descriptors. Copyright © 2018 Elsevier Ltd. All rights reserved.

The prediction of food additives in the fruit juice based on electronic nose with chemometrics.

PubMed

Qiu, Shanshan; Wang, Jun

2017-09-01

Food additives are added to products to enhance their taste, and preserve flavor or appearance. While their use should be restricted to achieve a technological benefit, the contents of food additives should be also strictly controlled. In this study, E-nose was applied as an alternative to traditional monitoring technologies for determining two food additives, namely benzoic acid and chitosan. For quantitative monitoring, support vector machine (SVM), random forest (RF), extreme learning machine (ELM) and partial least squares regression (PLSR) were applied to establish regression models between E-nose signals and the amount of food additives in fruit juices. The monitoring models based on ELM and RF reached higher correlation coefficients (R 2 s) and lower root mean square errors (RMSEs) than models based on PLSR and SVM. This work indicates that E-nose combined with RF or ELM can be a cost-effective, easy-to-build and rapid detection system for food additive monitoring. Copyright © 2017 Elsevier Ltd. All rights reserved.

Feasibility of using near infrared spectroscopy to detect and quantify an adulterant in high quality sandalwood oil

NASA Astrophysics Data System (ADS)

Kuriakose, Saji; Joe, I. Hubert

2013-11-01

Determination of the authenticity of essential oils has become more significant, in recent years, following some illegal adulteration and contamination scandals. The present investigative study focuses on the application of near infrared spectroscopy to detect sample authenticity and quantify economic adulteration of sandalwood oils. Several data pre-treatments are investigated for calibration and prediction using partial least square regression (PLSR). The quantitative data analysis is done using a new spectral approach - full spectrum or sequential spectrum. The optimum number of PLS components is obtained according to the lowest root mean square error of calibration (RMSEC = 0.00009% v/v). The lowest root mean square error of prediction (RMSEP = 0.00016% v/v) in the test set and the highest coefficient of determination (R2 = 0.99989) are used as the evaluation tools for the best model. A nonlinear method, locally weighted regression (LWR), is added to extract nonlinear information and to compare with the linear PLSR model.

Comparing Regression Coefficients between Nested Linear Models for Clustered Data with Generalized Estimating Equations

ERIC Educational Resources Information Center

Yan, Jun; Aseltine, Robert H., Jr.; Harel, Ofer

2013-01-01

Comparing regression coefficients between models when one model is nested within another is of great practical interest when two explanations of a given phenomenon are specified as linear models. The statistical problem is whether the coefficients associated with a given set of covariates change significantly when other covariates are added into…

Quantitative structure-retention relationship studies with immobilized artificial membrane chromatography II: partial least squares regression.

PubMed

Li, Jie; Sun, Jin; He, Zhonggui

2007-01-26

We aimed to establish quantitative structure-retention relationship (QSRR) with immobilized artificial membrane (IAM) chromatography using easily understood and obtained physicochemical molecular descriptors and to elucidate which descriptors are critical to affect the interaction process between solutes and immobilized phospholipid membranes. The retention indices (logk(IAM)) of 55 structurally diverse drugs were determined on an immobilized artificial membrane column (IAM.PC.DD2) directly or obtained by extrapolation method for highly hydrophobic compounds. Ten simple physicochemical property descriptors (clogP, rings, rotatory bond, hydro-bond counting, etc.) of these drugs were collected and used to establish QSRR and predict the retention data by partial least squares regression (PLSR). Five descriptors, clogP, rotatory bond (RotB), rings, molecular weight (MW) and total surface area (TSA), were reserved by using the Variable Importance for Projection (VIP) values as criterion to build the final PLSR model. An external test set was employed to verify the QSRR based on the training set with the five variables, and QSRR by PLSR exhibited a satisfying predictive ability with R(p)=0.902 and RMSE(p)=0.400. Comparison of coefficients of centered and scaled variables by PLSR demonstrated that, for the descriptors studied, clogP and TSA have the most significant positive effect but the rotatable bond has significant negative effect on drug IAM chromatographic retention.

New strategy for determination of anthocyanins, polyphenols and antioxidant capacity of Brassica oleracea liquid extract using infrared spectroscopies and multivariate regression

NASA Astrophysics Data System (ADS)

de Oliveira, Isadora R. N.; Roque, Jussara V.; Maia, Mariza P.; Stringheta, Paulo C.; Teófilo, Reinaldo F.

2018-04-01

A new method was developed to determine the antioxidant properties of red cabbage extract (Brassica oleracea) by mid (MID) and near (NIR) infrared spectroscopies and partial least squares (PLS) regression. A 70% (v/v) ethanolic extract of red cabbage was concentrated to 9° Brix and further diluted (12 to 100%) in water. The dilutions were used as external standards for the building of PLS models. For the first time, this strategy was applied for building multivariate regression models. Reference analyses and spectral data were obtained from diluted extracts. The determinate properties were total and monomeric anthocyanins, total polyphenols and antioxidant capacity by ABTS (2,2-azino-bis(3-ethyl-benzothiazoline-6-sulfonate)) and DPPH (2,2-diphenyl-1-picrylhydrazyl) methods. Ordered predictors selection (OPS) and genetic algorithm (GA) were used for feature selection before PLS regression (PLS-1). In addition, a PLS-2 regression was applied to all properties simultaneously. PLS-1 models provided more predictive models than did PLS-2 regression. PLS-OPS and PLS-GA models presented excellent prediction results with a correlation coefficient higher than 0.98. However, the best models were obtained using PLS and variable selection with the OPS algorithm and the models based on NIR spectra were considered more predictive for all properties. Then, these models provided a simple, rapid and accurate method for determination of red cabbage extract antioxidant properties and its suitability for use in the food industry.

Light enpolarization by disordered media under partial polarized illumination: the role of cross-scattering coefficients.

PubMed

Zerrad, M; Soriano, G; Ghabbach, A; Amra, C

2013-02-11

We show how disordered media allow to increase the local degree of polarization (DOP) of an arbitrary (partial) polarized incident beam. The role of cross-scattering coefficients is emphasized, together with the probability density functions (PDF) of the scattering DOP. The average DOP of scattering is calculated versus the incident illumination DOP.

On new classes of solutions of nonlinear partial differential equations in the form of convergent special series

NASA Astrophysics Data System (ADS)

Filimonov, M. Yu.

2017-12-01

The method of special series with recursively calculated coefficients is used to solve nonlinear partial differential equations. The recurrence of finding the coefficients of the series is achieved due to a special choice of functions, in powers of which the solution is expanded in a series. We obtain a sequence of linear partial differential equations to find the coefficients of the series constructed. In many cases, one can deal with a sequence of linear ordinary differential equations. We construct classes of solutions in the form of convergent series for a certain class of nonlinear evolution equations. A new class of solutions of generalized Boussinesque equation with an arbitrary function in the form of a convergent series is constructed.

Correlation of porous and functional properties of food materials by NMR relaxometry and multivariate analysis.

PubMed

Haiduc, Adrian Marius; van Duynhoven, John

2005-02-01

The porous properties of food materials are known to determine important macroscopic parameters such as water-holding capacity and texture. In conventional approaches, understanding is built from a long process of establishing macrostructure-property relations in a rational manner. Only recently, multivariate approaches were introduced for the same purpose. The model systems used here are oil-in-water emulsions, stabilised by protein, and form complex structures, consisting of fat droplets dispersed in a porous protein phase. NMR time-domain decay curves were recorded for emulsions with varied levels of fat, protein and water. Hardness, dry matter content and water drainage were determined by classical means and analysed for correlation with the NMR data with multivariate techniques. Partial least squares can calibrate and predict these properties directly from the continuous NMR exponential decays and yields regression coefficients higher than 82%. However, the calibration coefficients themselves belong to the continuous exponential domain and do little to explain the connection between NMR data and emulsion properties. Transformation of the NMR decays into a discreet domain with non-negative least squares permits the use of multilinear regression (MLR) on the resulting amplitudes as predictors and hardness or water drainage as responses. The MLR coefficients show that hardness is highly correlated with the components that have T2 distributions of about 20 and 200 ms whereas water drainage is correlated with components that have T2 distributions around 400 and 1800 ms. These T2 distributions very likely correlate with water populations present in pores with different sizes and/or wall mobility. The results for the emulsions studied demonstrate that NMR time-domain decays can be employed to predict properties and to provide insight in the underlying microstructural features.

Use of partial least squares regression to impute SNP genotypes in Italian cattle breeds.

PubMed

Dimauro, Corrado; Cellesi, Massimo; Gaspa, Giustino; Ajmone-Marsan, Paolo; Steri, Roberto; Marras, Gabriele; Macciotta, Nicolò P P

2013-06-05

The objective of the present study was to test the ability of the partial least squares regression technique to impute genotypes from low density single nucleotide polymorphisms (SNP) panels i.e. 3K or 7K to a high density panel with 50K SNP. No pedigree information was used. Data consisted of 2093 Holstein, 749 Brown Swiss and 479 Simmental bulls genotyped with the Illumina 50K Beadchip. First, a single-breed approach was applied by using only data from Holstein animals. Then, to enlarge the training population, data from the three breeds were combined and a multi-breed analysis was performed. Accuracies of genotypes imputed using the partial least squares regression method were compared with those obtained by using the Beagle software. The impact of genotype imputation on breeding value prediction was evaluated for milk yield, fat content and protein content. In the single-breed approach, the accuracy of imputation using partial least squares regression was around 90 and 94% for the 3K and 7K platforms, respectively; corresponding accuracies obtained with Beagle were around 85% and 90%. Moreover, computing time required by the partial least squares regression method was on average around 10 times lower than computing time required by Beagle. Using the partial least squares regression method in the multi-breed resulted in lower imputation accuracies than using single-breed data. The impact of the SNP-genotype imputation on the accuracy of direct genomic breeding values was small. The correlation between estimates of genetic merit obtained by using imputed versus actual genotypes was around 0.96 for the 7K chip. Results of the present work suggested that the partial least squares regression imputation method could be useful to impute SNP genotypes when pedigree information is not available.

Tools to Support Interpreting Multiple Regression in the Face of Multicollinearity

PubMed Central

Kraha, Amanda; Turner, Heather; Nimon, Kim; Zientek, Linda Reichwein; Henson, Robin K.

2012-01-01

While multicollinearity may increase the difficulty of interpreting multiple regression (MR) results, it should not cause undue problems for the knowledgeable researcher. In the current paper, we argue that rather than using one technique to investigate regression results, researchers should consider multiple indices to understand the contributions that predictors make not only to a regression model, but to each other as well. Some of the techniques to interpret MR effects include, but are not limited to, correlation coefficients, beta weights, structure coefficients, all possible subsets regression, commonality coefficients, dominance weights, and relative importance weights. This article will review a set of techniques to interpret MR effects, identify the elements of the data on which the methods focus, and identify statistical software to support such analyses. PMID:22457655

Tools to support interpreting multiple regression in the face of multicollinearity.

PubMed

Kraha, Amanda; Turner, Heather; Nimon, Kim; Zientek, Linda Reichwein; Henson, Robin K

2012-01-01

While multicollinearity may increase the difficulty of interpreting multiple regression (MR) results, it should not cause undue problems for the knowledgeable researcher. In the current paper, we argue that rather than using one technique to investigate regression results, researchers should consider multiple indices to understand the contributions that predictors make not only to a regression model, but to each other as well. Some of the techniques to interpret MR effects include, but are not limited to, correlation coefficients, beta weights, structure coefficients, all possible subsets regression, commonality coefficients, dominance weights, and relative importance weights. This article will review a set of techniques to interpret MR effects, identify the elements of the data on which the methods focus, and identify statistical software to support such analyses.

Adjusting for Confounding in Early Postlaunch Settings: Going Beyond Logistic Regression Models.

PubMed

Schmidt, Amand F; Klungel, Olaf H; Groenwold, Rolf H H

2016-01-01

Postlaunch data on medical treatments can be analyzed to explore adverse events or relative effectiveness in real-life settings. These analyses are often complicated by the number of potential confounders and the possibility of model misspecification. We conducted a simulation study to compare the performance of logistic regression, propensity score, disease risk score, and stabilized inverse probability weighting methods to adjust for confounding. Model misspecification was induced in the independent derivation dataset. We evaluated performance using relative bias confidence interval coverage of the true effect, among other metrics. At low events per coefficient (1.0 and 0.5), the logistic regression estimates had a large relative bias (greater than -100%). Bias of the disease risk score estimates was at most 13.48% and 18.83%. For the propensity score model, this was 8.74% and >100%, respectively. At events per coefficient of 1.0 and 0.5, inverse probability weighting frequently failed or reduced to a crude regression, resulting in biases of -8.49% and 24.55%. Coverage of logistic regression estimates became less than the nominal level at events per coefficient ≤5. For the disease risk score, inverse probability weighting, and propensity score, coverage became less than nominal at events per coefficient ≤2.5, ≤1.0, and ≤1.0, respectively. Bias of misspecified disease risk score models was 16.55%. In settings with low events/exposed subjects per coefficient, disease risk score methods can be useful alternatives to logistic regression models, especially when propensity score models cannot be used. Despite better performance of disease risk score methods than logistic regression and propensity score models in small events per coefficient settings, bias, and coverage still deviated from nominal.

Meta-analytical synthesis of regression coefficients under different categorization scheme of continuous covariates.

PubMed

Yoneoka, Daisuke; Henmi, Masayuki

2017-11-30

Recently, the number of clinical prediction models sharing the same regression task has increased in the medical literature. However, evidence synthesis methodologies that use the results of these regression models have not been sufficiently studied, particularly in meta-analysis settings where only regression coefficients are available. One of the difficulties lies in the differences between the categorization schemes of continuous covariates across different studies. In general, categorization methods using cutoff values are study specific across available models, even if they focus on the same covariates of interest. Differences in the categorization of covariates could lead to serious bias in the estimated regression coefficients and thus in subsequent syntheses. To tackle this issue, we developed synthesis methods for linear regression models with different categorization schemes of covariates. A 2-step approach to aggregate the regression coefficient estimates is proposed. The first step is to estimate the joint distribution of covariates by introducing a latent sampling distribution, which uses one set of individual participant data to estimate the marginal distribution of covariates with categorization. The second step is to use a nonlinear mixed-effects model with correction terms for the bias due to categorization to estimate the overall regression coefficients. Especially in terms of precision, numerical simulations show that our approach outperforms conventional methods, which only use studies with common covariates or ignore the differences between categorization schemes. The method developed in this study is also applied to a series of WHO epidemiologic studies on white blood cell counts. Copyright © 2017 John Wiley & Sons, Ltd.

Total ion chromatographic fingerprints combined with chemometrics and mass defect filter to predict antitumor components of Picrasma quassioids.

PubMed

Shi, Yuanyuan; Zhan, Hao; Zhong, Liuyi; Yan, Fangrong; Feng, Feng; Liu, Wenyuan; Xie, Ning

2016-07-01

A method of total ion chromatogram combined with chemometrics and mass defect filter was established for the prediction of active ingredients in Picrasma quassioides samples. The total ion chromatogram data of 28 batches were pretreated with wavelet transformation and correlation optimized warping to correct baseline drifts and retention time shifts. Then partial least squares regression was applied to construct a regression model to bridge the total ion chromatogram fingerprints and the antitumor activity of P. quassioides. Finally, the regression coefficients were used to predict the active peaks in total ion chromatogram fingerprints. In this strategy, mass defect filter was employed to classify and characterize the active peaks from a chemical point of view. A total of 17 constituents were predicted as the potential active compounds, 16 of which were identified as alkaloids by this developed approach. The results showed that the established method was not only simple and easy to operate, but also suitable to predict ultraviolet undetectable compounds and provide chemical information for the prediction of active compounds in herbs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Detection and Quantification of Adulteration in Ground Roasted Asian Palm Civet Coffee Using Near-Infrared Spectroscopy in Tandem with Chemometrics

NASA Astrophysics Data System (ADS)

Suhandy, D.; Yulia, M.; Ogawa, Y.; Kondo, N.

2018-05-01

In the present research, an evaluation of using near infrared (NIR) spectroscopy in tandem with full spectrum partial least squares (FS-PLS) regression for quantification of degree of adulteration in civet coffee was conducted. A number of 126 ground roasted coffee samples with degree of adulteration 0-51% were prepared. Spectral data were acquired using a NIR spectrometer equipped with an integrating sphere for diffuse reflectance measurement in the range of 1300-2500 nm. The samples were divided into two groups calibration sample set (84 samples) and prediction sample set (42 samples). The calibration model was developed on original spectra using FS-PLS regression with full-cross validation method. The calibration model exhibited the determination coefficient R2=0.96 for calibration and R2=0.92 for validation. The prediction resulted in low root mean square error of prediction (RMSEP) (4.67%) and high ratio prediction to deviation (RPD) (3.75). In conclusion, the degree of adulteration in civet coffee have been quantified successfully by using NIR spectroscopy and FS-PLS regression in a non-destructive, economical, precise, and highly sensitive method, which uses very simple sample preparation.

Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

PubMed

Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

2014-11-01

Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

Serum biomarkers of habitual coffee consumption may provide insight into the mechanism underlying the association between coffee consumption and colorectal cancer12345

PubMed Central

Guertin, Kristin A; Loftfield, Erikka; Boca, Simina M; Sampson, Joshua N; Moore, Steven C; Xiao, Qian; Huang, Wen-Yi; Xiong, Xiaoqin; Freedman, Neal D; Cross, Amanda J; Sinha, Rashmi

2015-01-01

Background: Coffee intake may be inversely associated with colorectal cancer; however, previous studies have been inconsistent. Serum coffee metabolites are integrated exposure measures that may clarify associations with cancer and elucidate underlying mechanisms. Objectives: Our aims were 2-fold as follows: 1) to identify serum metabolites associated with coffee intake and 2) to examine these metabolites in relation to colorectal cancer. Design: In a nested case-control study of 251 colorectal cancer cases and 247 matched control subjects from the Prostate, Lung, Colorectal, and Ovarian Cancer Screening Trial, we conducted untargeted metabolomics analyses of baseline serum by using ultrahigh-performance liquid-phase chromatography–tandem mass spectrometry and gas chromatography–mass spectrometry. Usual coffee intake was self-reported in a food-frequency questionnaire. We used partial Pearson correlations and linear regression to identify serum metabolites associated with coffee intake and conditional logistic regression to evaluate associations between coffee metabolites and colorectal cancer. Results: After Bonferroni correction for multiple comparisons (P = 0.05 ÷ 657 metabolites), 29 serum metabolites were positively correlated with coffee intake (partial correlation coefficients: 0.18–0.61; P < 7.61 × 10−5); serum metabolites most highly correlated with coffee intake (partial correlation coefficients >0.40) included trigonelline (N′-methylnicotinate), quinate, and 7 unknown metabolites. Of 29 serum metabolites, 8 metabolites were directly related to caffeine metabolism, and 3 of these metabolites, theophylline (OR for 90th compared with 10th percentiles: 0.44; 95% CI: 0.25, 0.79; P-linear trend = 0.006), caffeine (OR for 90th compared with 10th percentiles: 0.56; 95% CI: 0.35, 0.89; P-linear trend = 0.015), and paraxanthine (OR for 90th compared with 10th percentiles: 0.58; 95% CI: 0.36, 0.94; P-linear trend = 0.027), were inversely associated with colorectal cancer. Conclusions: Serum metabolites can distinguish coffee drinkers from nondrinkers; some caffeine-related metabolites were inversely associated with colorectal cancer and should be studied further to clarify the role of coffee in the cause of colorectal cancer. The Prostate, Lung, Colorectal, and Ovarian trial was registered at clinicaltrials.gov as NCT00002540. PMID:25762808

Measurements of Pressure Distributions and Force Coefficients in a Squeeze Film Damper. Part 1: Fully Open Ended Configuration

NASA Technical Reports Server (NTRS)

Jung, S. Y.; Sanandres, Luis A.; Vance, J. M.

1991-01-01

Measurements of pressure distributions and force coefficients were carried out in two types of squeeze film dampers, executing a circular centered orbit, an open-ended configuration, and a partially sealed one, in order to investigate the effect of fluid inertia and cavitation on pressure distributions and force coefficients. Dynamic pressure measurements were carried out for two orbit radii, epsilon 0.5 and 0.8. It was found that the partially sealed configuration was less influenced by fluid inertia than the open ended configuration.

Using the Coefficient of Determination "R"[superscript 2] to Test the Significance of Multiple Linear Regression

ERIC Educational Resources Information Center

Quinino, Roberto C.; Reis, Edna A.; Bessegato, Lupercio F.

2013-01-01

This article proposes the use of the coefficient of determination as a statistic for hypothesis testing in multiple linear regression based on distributions acquired by beta sampling. (Contains 3 figures.)

SPSS macros to compare any two fitted values from a regression model.

PubMed

Weaver, Bruce; Dubois, Sacha

2012-12-01

In regression models with first-order terms only, the coefficient for a given variable is typically interpreted as the change in the fitted value of Y for a one-unit increase in that variable, with all other variables held constant. Therefore, each regression coefficient represents the difference between two fitted values of Y. But the coefficients represent only a fraction of the possible fitted value comparisons that might be of interest to researchers. For many fitted value comparisons that are not captured by any of the regression coefficients, common statistical software packages do not provide the standard errors needed to compute confidence intervals or carry out statistical tests-particularly in more complex models that include interactions, polynomial terms, or regression splines. We describe two SPSS macros that implement a matrix algebra method for comparing any two fitted values from a regression model. The !OLScomp and !MLEcomp macros are for use with models fitted via ordinary least squares and maximum likelihood estimation, respectively. The output from the macros includes the standard error of the difference between the two fitted values, a 95% confidence interval for the difference, and a corresponding statistical test with its p-value.

Implementations of geographically weighted lasso in spatial data with multicollinearity (Case study: Poverty modeling of Java Island)

NASA Astrophysics Data System (ADS)

Setiyorini, Anis; Suprijadi, Jadi; Handoko, Budhi

2017-03-01

Geographically Weighted Regression (GWR) is a regression model that takes into account the spatial heterogeneity effect. In the application of the GWR, inference on regression coefficients is often of interest, as is estimation and prediction of the response variable. Empirical research and studies have demonstrated that local correlation between explanatory variables can lead to estimated regression coefficients in GWR that are strongly correlated, a condition named multicollinearity. It later results on a large standard error on estimated regression coefficients, and, hence, problematic for inference on relationships between variables. Geographically Weighted Lasso (GWL) is a method which capable to deal with spatial heterogeneity and local multicollinearity in spatial data sets. GWL is a further development of GWR method, which adds a LASSO (Least Absolute Shrinkage and Selection Operator) constraint in parameter estimation. In this study, GWL will be applied by using fixed exponential kernel weights matrix to establish a poverty modeling of Java Island, Indonesia. The results of applying the GWL to poverty datasets show that this method stabilizes regression coefficients in the presence of multicollinearity and produces lower prediction and estimation error of the response variable than GWR does.

An improved multiple linear regression and data analysis computer program package

NASA Technical Reports Server (NTRS)

Sidik, S. M.

1972-01-01

NEWRAP, an improved version of a previous multiple linear regression program called RAPIER, CREDUC, and CRSPLT, allows for a complete regression analysis including cross plots of the independent and dependent variables, correlation coefficients, regression coefficients, analysis of variance tables, t-statistics and their probability levels, rejection of independent variables, plots of residuals against the independent and dependent variables, and a canonical reduction of quadratic response functions useful in optimum seeking experimentation. A major improvement over RAPIER is that all regression calculations are done in double precision arithmetic.

Prediction of blood-brain partitioning: a model based on molecular electronegativity distance vector descriptors.

PubMed

Zhang, Yong-Hong; Xia, Zhi-Ning; Qin, Li-Tang; Liu, Shu-Shen

2010-09-01

The objective of this paper is to build a reliable model based on the molecular electronegativity distance vector (MEDV) descriptors for predicting the blood-brain barrier (BBB) permeability and to reveal the effects of the molecular structural segments on the BBB permeability. Using 70 structurally diverse compounds, the partial least squares regression (PLSR) models between the BBB permeability and the MEDV descriptors were developed and validated by the variable selection and modeling based on prediction (VSMP) technique. The estimation ability, stability, and predictive power of a model are evaluated by the estimated correlation coefficient (r), leave-one-out (LOO) cross-validation correlation coefficient (q), and predictive correlation coefficient (R(p)). It has been found that PLSR model has good quality, r=0.9202, q=0.7956, and R(p)=0.6649 for M1 model based on the training set of 57 samples. To search the most important structural factors affecting the BBB permeability of compounds, we performed the values of the variable importance in projection (VIP) analysis for MEDV descriptors. It was found that some structural fragments in compounds, such as -CH(3), -CH(2)-, =CH-, =C, triple bond C-, -CH<, =C<, =N-, -NH-, =O, and -OH, are the most important factors affecting the BBB permeability. (c) 2010. Published by Elsevier Inc.

Quantitative models for predicting adsorption of oxytetracycline, ciprofloxacin and sulfamerazine to swine manures with contrasting properties.

PubMed

Cheng, Dengmiao; Feng, Yao; Liu, Yuanwang; Li, Jinpeng; Xue, Jianming; Li, Zhaojun

2018-09-01

Understanding antibiotic adsorption in livestock manures is crucial to assess the fate and risk of antibiotics in the environment. In this study, three quantitative models developed with swine manure-water distribution coefficients (LgK d ) for oxytetracycline (OTC), ciprofloxacin (CIP) and sulfamerazine (SM1) in swine manures. Physicochemical parameters (n=12) of the swine manure were used as independent variables using partial least-squares (PLSs) analysis. The cumulative cross-validated regression coefficients (Q 2 cum ) values, standard deviations (SDs) and external validation coefficient (Q 2 ext ) ranged from 0.761 to 0.868, 0.027 to 0.064, and 0.743 to 0.827 for the three models; as such, internal and external predictability of the models were strong. The pH, soluble organic carbon (SOC) and nitrogen (SON), and Ca were important explanatory variables for the OTC-Model, pH, SOC, and SON for the CIP-model, and pH, total organic nitrogen (TON), and SOC for the SM1-model. The high VIPs (variable importance in the projections) of pH (1.178-1.396), SOC (0.968-1.034), and SON (0.822 and 0.865) established these physicochemical parameters as likely being dominant (associatively) in affecting transport of antibiotics in swine manures. Copyright © 2018 Elsevier B.V. All rights reserved.

Near-infrared and Mid-infrared Spectroscopic Techniques for a Fast and Nondestructive Quality Control of Thymi herba.

PubMed

Pezzei, Cornelia K; Schönbichler, Stefan A; Hussain, Shah; Kirchler, Christian G; Huck-Pezzei, Verena A; Popp, Michael; Krolitzek, Justine; Bonn, Günther K; Huck, Christian W

2018-04-01

In this study, novel near-infrared and attenuated total reflectance mid-infrared spectroscopic methods coupled with multivariate data analysis were established enabling the determination of thymol, rosmarinic acid, and the antioxidant capacity of Thymi herba. A new high-performance liquid chromatography method and UV-Vis spectroscopy were applied as reference methods. Partial least squares regressions were carried out as cross and test set validations. To reduce systematic errors, different data pretreatments, such as multiplicative scatter correction, 1st derivative, or 2nd derivative, were applied on the spectra. The performances of the two infrared spectroscopic techniques were evaluated and compared. In general, attenuated total reflectance mid-infrared spectroscopy demonstrated a slightly better predictive power (thymol: coefficient of determination = 0.93, factors = 3, ratio of performance to deviation = 3.94; rosmarinic acid: coefficient of determination = 0.91, factors = 3, ratio of performance to deviation = 3.35, antioxidant capacity: coefficient of determination = 0.87, factors = 2, ratio of performance to deviation = 2.80; test set validation) than near-infrared spectroscopy (thymol: coefficient of determination = 0.90, factors = 6, ratio of performance to deviation = 3.10; rosmarinic acid: coefficient of determination = 0.92, factors = 6, ratio of performance to deviation = 3.61, antioxidant capacity: coefficient of determination = 0.91, factors = 6, ratio of performance to deviation = 3.42; test set validation). The capability of infrared vibrational spectroscopy as a quick and simple analytical tool to replace conventional time and chemical consuming analyses for the quality control of T. herba could be demonstrated. Georg Thieme Verlag KG Stuttgart · New York.

Enhancement of partial robust M-regression (PRM) performance using Bisquare weight function

NASA Astrophysics Data System (ADS)

Mohamad, Mazni; Ramli, Norazan Mohamed; Ghani@Mamat, Nor Azura Md; Ahmad, Sanizah

2014-09-01

Partial Least Squares (PLS) regression is a popular regression technique for handling multicollinearity in low and high dimensional data which fits a linear relationship between sets of explanatory and response variables. Several robust PLS methods are proposed to accommodate the classical PLS algorithms which are easily affected with the presence of outliers. The recent one was called partial robust M-regression (PRM). Unfortunately, the use of monotonous weighting function in the PRM algorithm fails to assign appropriate and proper weights to large outliers according to their severity. Thus, in this paper, a modified partial robust M-regression is introduced to enhance the performance of the original PRM. A re-descending weight function, known as Bisquare weight function is recommended to replace the fair function in the PRM. A simulation study is done to assess the performance of the modified PRM and its efficiency is also tested in both contaminated and uncontaminated simulated data under various percentages of outliers, sample sizes and number of predictors.

Genetic background in partitioning of metabolizable energy efficiency in dairy cows.

PubMed

Mehtiö, T; Negussie, E; Mäntysaari, P; Mäntysaari, E A; Lidauer, M H

2018-05-01

The main objective of this study was to assess the genetic differences in metabolizable energy efficiency and efficiency in partitioning metabolizable energy in different pathways: maintenance, milk production, and growth in primiparous dairy cows. Repeatability models for residual energy intake (REI) and metabolizable energy intake (MEI) were compared and the genetic and permanent environmental variations in MEI were partitioned into its energy sinks using random regression models. We proposed 2 new feed efficiency traits: metabolizable energy efficiency (MEE), which is formed by modeling MEI fitting regressions on energy sinks [metabolic body weight (BW 0.75 ), energy-corrected milk, body weight gain, and body weight loss] directly; and partial MEE (pMEE), where the model for MEE is extended with regressions on energy sinks nested within additive genetic and permanent environmental effects. The data used were collected from Luke's experimental farms Rehtijärvi and Minkiö between 1998 and 2014. There were altogether 12,350 weekly MEI records on 495 primiparous Nordic Red dairy cows from wk 2 to 40 of lactation. Heritability estimates for REI and MEE were moderate, 0.33 and 0.26, respectively. The estimate of the residual variance was smaller for MEE than for REI, indicating that analyzing weekly MEI observations simultaneously with energy sinks is preferable. Model validation based on Akaike's information criterion showed that pMEE models fitted the data even better and also resulted in smaller residual variance estimates. However, models that included random regression on BW 0.75 converged slowly. The resulting genetic standard deviation estimate from the pMEE coefficient for milk production was 0.75 MJ of MEI/kg of energy-corrected milk. The derived partial heritabilities for energy efficiency in maintenance, milk production, and growth were 0.02, 0.06, and 0.04, respectively, indicating that some genetic variation may exist in the efficiency of using metabolizable energy for different pathways in dairy cows. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A hybrid PSO-SVM-based method for predicting the friction coefficient between aircraft tire and coating

NASA Astrophysics Data System (ADS)

Zhan, Liwei; Li, Chengwei

2017-02-01

A hybrid PSO-SVM-based model is proposed to predict the friction coefficient between aircraft tire and coating. The presented hybrid model combines a support vector machine (SVM) with particle swarm optimization (PSO) technique. SVM has been adopted to solve regression problems successfully. Its regression accuracy is greatly related to optimizing parameters such as the regularization constant C , the parameter gamma γ corresponding to RBF kernel and the epsilon parameter \\varepsilon in the SVM training procedure. However, the friction coefficient which is predicted based on SVM has yet to be explored between aircraft tire and coating. The experiment reveals that drop height and tire rotational speed are the factors affecting friction coefficient. Bearing in mind, the friction coefficient can been predicted using the hybrid PSO-SVM-based model by the measured friction coefficient between aircraft tire and coating. To compare regression accuracy, a grid search (GS) method and a genetic algorithm (GA) are used to optimize the relevant parameters (C , γ and \\varepsilon ), respectively. The regression accuracy could be reflected by the coefficient of determination ({{R}2} ). The result shows that the hybrid PSO-RBF-SVM-based model has better accuracy compared with the GS-RBF-SVM- and GA-RBF-SVM-based models. The agreement of this model (PSO-RBF-SVM) with experiment data confirms its good performance.

Portable visible and near-infrared spectrophotometer for triglyceride measurements.

PubMed

Kobayashi, Takanori; Kato, Yukiko Hakariya; Tsukamoto, Megumi; Ikuta, Kazuyoshi; Sakudo, Akikazu

2009-01-01

An affordable and portable machine is required for the practical use of visible and near-infrared (Vis-NIR) spectroscopy. A portable fruit tester comprising a Vis-NIR spectrophotometer was modified for use in the transmittance mode and employed to quantify triglyceride levels in serum in combination with a chemometric analysis. Transmittance spectra collected in the 600- to 1100-nm region were subjected to a partial least-squares regression analysis and leave-out cross-validation to develop a chemometrics model for predicting triglyceride concentrations in serum. The model yielded a coefficient of determination in cross-validation (R2VAL) of 0.7831 with a standard error of cross-validation (SECV) of 43.68 mg/dl. The detection limit of the model was 148.79 mg/dl. Furthermore, masked samples predicted by the model yielded a coefficient of determination in prediction (R2PRED) of 0.6856 with a standard error of prediction (SEP) and detection limit of 61.54 and 159.38 mg/dl, respectively. The portable Vis-NIR spectrophotometer may prove convenient for the measurement of triglyceride concentrations in serum, although before practical use there remain obstacles, which are discussed.

[Correlation coefficient-based classification method of hydrological dependence variability: With auto-regression model as example].

PubMed

Zhao, Yu Xi; Xie, Ping; Sang, Yan Fang; Wu, Zi Yi

2018-04-01

Hydrological process evaluation is temporal dependent. Hydrological time series including dependence components do not meet the data consistency assumption for hydrological computation. Both of those factors cause great difficulty for water researches. Given the existence of hydrological dependence variability, we proposed a correlationcoefficient-based method for significance evaluation of hydrological dependence based on auto-regression model. By calculating the correlation coefficient between the original series and its dependence component and selecting reasonable thresholds of correlation coefficient, this method divided significance degree of dependence into no variability, weak variability, mid variability, strong variability, and drastic variability. By deducing the relationship between correlation coefficient and auto-correlation coefficient in each order of series, we found that the correlation coefficient was mainly determined by the magnitude of auto-correlation coefficient from the 1 order to p order, which clarified the theoretical basis of this method. With the first-order and second-order auto-regression models as examples, the reasonability of the deduced formula was verified through Monte-Carlo experiments to classify the relationship between correlation coefficient and auto-correlation coefficient. This method was used to analyze three observed hydrological time series. The results indicated the coexistence of stochastic and dependence characteristics in hydrological process.

Rapid Detection of Volatile Oil in Mentha haplocalyx by Near-Infrared Spectroscopy and Chemometrics.

PubMed

Yan, Hui; Guo, Cheng; Shao, Yang; Ouyang, Zhen

2017-01-01

Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . The effects of data pre-processing methods on the accuracy of the PLSR calibration models were investigated. The performance of the final model was evaluated according to the correlation coefficient ( R ) and root mean square error of prediction (RMSEP). For PLSR model, the best preprocessing method combination was first-order derivative, standard normal variate transformation (SNV), and mean centering, which had of 0.8805, of 0.8719, RMSEC of 0.091, and RMSEP of 0.097, respectively. The wave number variables linking to volatile oil are from 5500 to 4000 cm-1 by analyzing the loading weights and variable importance in projection (VIP) scores. For SVM model, six LVs (less than seven LVs in PLSR model) were adopted in model, and the result was better than PLSR model. The and were 0.9232 and 0.9202, respectively, with RMSEC and RMSEP of 0.084 and 0.082, respectively, which indicated that the predicted values were accurate and reliable. This work demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in M. haplocalyx . The quality of medicine directly links to clinical efficacy, thus, it is important to control the quality of Mentha haplocalyx . Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . For SVM model, 6 LVs (less than 7 LVs in PLSR model) were adopted in model, and the result was better than PLSR model. It demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in Mentha haplocalyx . Abbreviations used: 1 st der: First-order derivative; 2 nd der: Second-order derivative; LOO: Leave-one-out; LVs: Latent variables; MC: Mean centering, NIR: Near-infrared; NIRS: Near infrared spectroscopy; PCR: Principal component regression, PLSR: Partial least squares regression; RBF: Radial basis function; RMSEC: Root mean square error of cross validation, RMSEC: Root mean square error of calibration; RMSEP: Root mean square error of prediction; SNV: Standard normal variate transformation; SVM: Support vector machine; VIP: Variable Importance in projection.

Rapid determination of crocins in saffron by near-infrared spectroscopy combined with chemometric techniques

NASA Astrophysics Data System (ADS)

Li, Shuailing; Shao, Qingsong; Lu, Zhonghua; Duan, Chengli; Yi, Haojun; Su, Liyang

2018-02-01

Saffron is an expensive spice. Its primary effective constituents are crocin I and II, and the contents of these compounds directly affect the quality and commercial value of saffron. In this study, near-infrared spectroscopy was combined with chemometric techniques for the determination of crocin I and II in saffron. Partial least squares regression models were built for the quantification of crocin I and II. By comparing different spectral ranges and spectral pretreatment methods (no pretreatment, vector normalization, subtract a straight line, multiplicative scatter correction, minimum-maximum normalization, eliminate the constant offset, first derivative, and second derivative), optimum models were developed. The root mean square error of cross-validation values of the best partial least squares models for crocin I and II were 1.40 and 0.30, respectively. The coefficients of determination for crocin I and II were 93.40 and 96.30, respectively. These results show that near-infrared spectroscopy can be combined with chemometric techniques to determine the contents of crocin I and II in saffron quickly and efficiently.

Structure-Activity Correlations for β-Phenethylamines at Human Trace Amine Receptor 1

PubMed Central

Lewin, Anita H.; Navarro, Hernán A.; Mascarella, S. Wayne

2008-01-01

A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of β-phenethylamines. Fair agreement was observed with data obtained for aryl and ethylene chain substituted analogs in an AV12-664 cell line in which hemagglutinin-tagged hTAAR 1 was stably co-expressed with rat Gαs. Analogs with multiple substituents as well as analogs with bulky groups were found to be partial agonists. Analogs in which the primary amino group was converted to a secondary or a tertiary amino group by N-methylation were also partial agonists. Comparative Molecular Field Analysis (CoMFA) using the potency data yielded a regression coefficient r2 of 0.824. The steric field contribution to the model was 61% with the balance (39%) contributed by the electrostatic field. The collective results suggest that increasing steric bulk at both the amino nitrogen, particularly by N-dimethylation, and at the 4-position of the aromatic ring, leads to low efficacy ligands. PMID:18602830

Rapid determination of major bioactive isoflavonoid compounds during the extraction process of kudzu (Pueraria lobata) by near-infrared transmission spectroscopy.

PubMed

Wang, Pei; Zhang, Hui; Yang, Hailong; Nie, Lei; Zang, Hengchang

2015-02-25

Near-infrared (NIR) spectroscopy has been developed into an indispensable tool for both academic research and industrial quality control in a wide field of applications. The feasibility of NIR spectroscopy to monitor the concentration of puerarin, daidzin, daidzein and total isoflavonoid (TIF) during the extraction process of kudzu (Pueraria lobata) was verified in this work. NIR spectra were collected in transmission mode and pretreated with smoothing and derivative. Partial least square regression (PLSR) was used to establish calibration models. Three different variable selection methods, including correlation coefficient method, interval partial least squares (iPLS), and successive projections algorithm (SPA) were performed and compared with models based on all of the variables. The results showed that the approach was very efficient and environmentally friendly for rapid determination of the four quality indices (QIs) in the kudzu extraction process. This method established may have the potential to be used as a process analytical technological (PAT) tool in the future. Copyright © 2014 Elsevier B.V. All rights reserved.

Identification of pesticide varieties by testing microalgae using Visible/Near Infrared Hyperspectral Imaging technology

NASA Astrophysics Data System (ADS)

Shao, Yongni; Jiang, Linjun; Zhou, Hong; Pan, Jian; He, Yong

2016-04-01

In our study, the feasibility of using visible/near infrared hyperspectral imaging technology to detect the changes of the internal components of Chlorella pyrenoidosa so as to determine the varieties of pesticides (such as butachlor, atrazine and glyphosate) at three concentrations (0.6 mg/L, 3 mg/L, 15 mg/L) was investigated. Three models (partial least squares discriminant analysis combined with full wavelengths, FW-PLSDA; partial least squares discriminant analysis combined with competitive adaptive reweighted sampling algorithm, CARS-PLSDA; linear discrimination analysis combined with regression coefficients, RC-LDA) were built by the hyperspectral data of Chlorella pyrenoidosa to find which model can produce the most optimal result. The RC-LDA model, which achieved an average correct classification rate of 97.0% was more superior than FW-PLSDA (72.2%) and CARS-PLSDA (84.0%), and it proved that visible/near infrared hyperspectral imaging could be a rapid and reliable technique to identify pesticide varieties. It also proved that microalgae can be a very promising medium to indicate characteristics of pesticides.

Raman spectroscopy based investigation of molecular changes associated with an early stage of dengue virus infection

NASA Astrophysics Data System (ADS)

Bilal, Maria; Bilal, Muhammad; Saleem, Muhammad; Khurram, Muhammad; Khan, Saranjam; Ullah, Rahat; Ali, Hina; Ahmed, Mushtaq; Shahzada, Shaista; Ullah Khan, Ehsan

2017-04-01

Raman spectroscopy based investigations of the molecular changes associated with an early stage of dengue virus infection (DENV) using a partial least squares (PLS) regression model is presented. This study is based on non-structural protein 1 (NS1) which appears after three days of DENV infection. In total, 39 blood sera samples were collected and divided into two groups. The control group contained samples which were the negative for NS1 and antibodies and the positive group contained those samples in which NS1 is positive and antibodies were negative. Out of 39 samples, 29 Raman spectra were used for the model development while the remaining 10 were kept hidden for blind testing of the model. PLS regression yielded a vector of regression coefficients as a function of Raman shift, which were analyzed. Cytokines in the region 775-875 cm-1, lectins at 1003, 1238, 1340, 1449 and 1672 cm-1, DNA in the region 1040-1140 cm-1 and alpha and beta structures of proteins in the region 933-967 cm-1 have been identified in the regression vector for their role in an early stage of DENV infection. Validity of the model was established by its R-square value of 0.891. Sensitivity, specificity and accuracy were 100% each and the area under the receiver operator characteristic curve was found to be 1.

Detection of Cutting Tool Wear using Statistical Analysis and Regression Model

NASA Astrophysics Data System (ADS)

Ghani, Jaharah A.; Rizal, Muhammad; Nuawi, Mohd Zaki; Haron, Che Hassan Che; Ramli, Rizauddin

2010-10-01

This study presents a new method for detecting the cutting tool wear based on the measured cutting force signals. A statistical-based method called Integrated Kurtosis-based Algorithm for Z-Filter technique, called I-kaz was used for developing a regression model and 3D graphic presentation of I-kaz 3D coefficient during machining process. The machining tests were carried out using a CNC turning machine Colchester Master Tornado T4 in dry cutting condition. A Kistler 9255B dynamometer was used to measure the cutting force signals, which were transmitted, analyzed, and displayed in the DasyLab software. Various force signals from machining operation were analyzed, and each has its own I-kaz 3D coefficient. This coefficient was examined and its relationship with flank wear lands (VB) was determined. A regression model was developed due to this relationship, and results of the regression model shows that the I-kaz 3D coefficient value decreases as tool wear increases. The result then is used for real time tool wear monitoring.

Quantitative analysis of bayberry juice acidity based on visible and near-infrared spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao Yongni; He Yong; Mao Jingyuan

Visible and near-infrared (Vis/NIR) reflectance spectroscopy has been investigated for its ability to nondestructively detect acidity in bayberry juice. What we believe to be a new, better mathematic model is put forward, which we have named principal component analysis-stepwise regression analysis-backpropagation neural network (PCA-SRA-BPNN), to build a correlation between the spectral reflectivity data and the acidity of bayberry juice. In this model, the optimum network parameters,such as the number of input nodes, hidden nodes, learning rate, and momentum, are chosen by the value of root-mean-square (rms) error. The results show that its prediction statistical parameters are correlation coefficient (r) ofmore » 0.9451 and root-mean-square error of prediction(RMSEP) of 0.1168. Partial least-squares (PLS) regression is also established to compare with this model. Before doing this, the influences of various spectral pretreatments (standard normal variate, multiplicative scatter correction, S. Golay first derivative, and wavelet package transform) are compared. The PLS approach with wavelet package transform preprocessing spectra is found to provide the best results, and its prediction statistical parameters are correlation coefficient (r) of 0.9061 and RMSEP of 0.1564. Hence, these two models are both desirable to analyze the data from Vis/NIR spectroscopy and to solve the problem of the acidity prediction of bayberry juice. This supplies basal research to ultimately realize the online measurements of the juice's internal quality through this Vis/NIR spectroscopy technique.« less

Development of a model for predicting reaction rate constants of organic chemicals with ozone at different temperatures.

PubMed

Li, Xuehua; Zhao, Wenxing; Li, Jing; Jiang, Jingqiu; Chen, Jianji; Chen, Jingwen

2013-08-01

To assess the persistence and fate of volatile organic compounds in the troposphere, the rate constants for the reaction with ozone (kO3) are needed. As kO3 values are only available for hundreds of compounds, and experimental determination of kO3 is costly and time-consuming, it is of importance to develop predictive models on kO3. In this study, a total of 379 logkO3 values at different temperatures were used to develop and validate a model for the prediction of kO3, based on quantum chemical descriptors, Dragon descriptors and structural fragments. Molecular descriptors were screened by stepwise multiple linear regression, and the model was constructed by partial least-squares regression. The cross validation coefficient QCUM(2) of the model is 0.836, and the external validation coefficient Qext(2) is 0.811, indicating that the model has high robustness and good predictive performance. The most significant descriptor explaining logkO3 is the BELm2 descriptor with connectivity information weighted atomic masses. kO3 increases with increasing BELm2, and decreases with increasing ionization potential. The applicability domain of the proposed model was visualized by the Williams plot. The developed model can be used to predict kO3 at different temperatures for a wide range of organic chemicals, including alkenes, cycloalkenes, haloalkenes, alkynes, oxygen-containing compounds, nitrogen-containing compounds (except primary amines) and aromatic compounds. Copyright © 2013 Elsevier Ltd. All rights reserved.

SCI model structure determination program (OSR) user's guide. [optimal subset regression

NASA Technical Reports Server (NTRS)

1979-01-01

The computer program, OSR (Optimal Subset Regression) which estimates models for rotorcraft body and rotor force and moment coefficients is described. The technique used is based on the subset regression algorithm. Given time histories of aerodynamic coefficients, aerodynamic variables, and control inputs, the program computes correlation between various time histories. The model structure determination is based on these correlations. Inputs and outputs of the program are given.

Ecotoxicology of phenylphosphonothioates.

PubMed Central

Francis, B M; Hansen, L G; Fukuto, T R; Lu, P Y; Metcalf, R L

1980-01-01

The phenylphosphonothioate insecticides EPN and leptophos, and several analogs, were evaluated with respect to their delayed neurotoxic effects in hens and their environmental behavior in a terrestrial-aquatic model ecosystem. Acute toxicity to insects was highly correlated with sigma sigma of the substituted phenyl group (regression coefficient r = -0.91) while acute toxicity to mammals was slightly less well correlated (regression coefficient r = -0.71), and neurotoxicity was poorly correlated with sigma sigma (regression coefficient r = -0.35). Both EPN and leptophos were markedly more persistent and bioaccumulative in the model ecosystem than parathion. Desbromoleptophos, a contaminant and metabolite of leptophos, was seen to be a highly stable and persistent terminal residue of leptophos. PMID:6159210

Adherence to preferable behavior for lipid control by high-risk dyslipidemic Japanese patients under pravastatin treatment: the APPROACH-J study.

PubMed

Kitagawa, Yasuhisa; Teramoto, Tamio; Daida, Hiroyuki

2012-01-01

We evaluated the impact of adherence to preferable behavior on serum lipid control assessed by a self-reported questionnaire in high-risk patients taking pravastatin for primary prevention of coronary artery disease. High-risk patients taking pravastatin were followed for 2 years. Questionnaire surveys comprising 21 questions, including 18 questions concerning awareness of health, and current status of diet, exercise, and drug therapy, were conducted at baseline and after 1 year. Potential domains were established by factor analysis from the results of questionnaires, and adherence scores were calculated in each domain. The relationship between adherence scores and lipid values during the 1-year treatment period was analyzed by each domain using multiple regression analysis. A total of 5,792 patients taking pravastatin were included in the analysis. Multiple regression analysis showed a significant correlation in terms of "Intake of high fat/cholesterol/sugar foods" (regression coefficient -0.58, p=0.0105) and "Adherence to instructions for drug therapy" (regression coefficient -6.61, p<0.0001). Low-density lipoprotein cholesterol (LDL-C) values were significantly lower in patients who had an increase in the adherence score in the "Awareness of health" domain compared with those with a decreased score. There was a significant correlation between high-density lipoprotein (HDL-C) values and "Awareness of health" (regression coefficient 0.26; p= 0.0037), "Preferable dietary behaviors" (regression coefficient 0.75; p<0.0001), and "Exercise" (regression coefficient 0.73; p= 0.0002). Similar relations were seen with triglycerides. In patients who have a high awareness of their health, a positive attitude toward lipid-lowering treatment including diet, exercise, and high adherence to drug therapy, is related with favorable overall lipid control even in patients under treatment with pravastatin.

[Habitat suitability index of larval Japanese Halfbeak (Hyporhamphus sajori) in Bohai Sea based on geographically weighted regression.

PubMed

Zhao, Yang; Zhang, Xue Qing; Bian, Xiao Dong

2018-01-01

To investigate the early supplementary processes of fishre sources in the Bohai Sea, the geographically weighted regression (GWR) was introduced to the habitat suitability index (HSI) model. The Bohai Sea larval Japanese Halfbeak HSI GWR model was established with four environmental variables, including sea surface temperature (SST), sea surface salinity (SSS), water depth (DEP), and chlorophyll a concentration (Chl a). Results of the simulation showed that the four variables had different performances in August 2015. SST and Chl a were global variables, and had little impacts on HSI, with the regression coefficients of -0.027 and 0.006, respectively. SSS and DEP were local variables, and had larger impacts on HSI, while the average values of absolute values of their regression coefficients were 0.075 and 0.129, respectively. In the central Bohai Sea, SSS showed a negative correlation with HSI, and the most negative correlation coefficient was -0.3. In contrast, SSS was correlated positively but weakly with HSI in the three bays of Bohai Sea, and the largest correlation coefficient was 0.1. In particular, DEP and HSI were negatively correlated in the entire Bohai Sea, while they were more negatively correlated in the three bays of Bohai than in the central Bohai Sea, and the most negative correlation coefficient was -0.16 in the three bays. The Poisson regression coefficient of the HSI GWR model was 0.705, consistent with field measurements. Therefore, it could provide a new method for the research on fish habitats in the future.

Determination of total phenolic compounds in compost by infrared spectroscopy.

PubMed

Cascant, M M; Sisouane, M; Tahiri, S; Krati, M El; Cervera, M L; Garrigues, S; de la Guardia, M

2016-06-01

Middle and near infrared (MIR and NIR) were applied to determine the total phenolic compounds (TPC) content in compost samples based on models built by using partial least squares (PLS) regression. The multiplicative scatter correction, standard normal variate and first derivative were employed as spectra pretreatment, and the number of latent variable were optimized by leave-one-out cross-validation. The performance of PLS-ATR-MIR and PLS-DR-NIR models was evaluated according to root mean square error of cross validation and prediction (RMSECV and RMSEP), the coefficient of determination for prediction (Rpred(2)) and residual predictive deviation (RPD) being obtained for this latter values of 5.83 and 8.26 for MIR and NIR, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Hamilton's rule, inclusive fitness maximization, and the goal of individual behaviour in symmetric two-player games.

PubMed

Okasha, S; Martens, J

2016-03-01

Hamilton's original work on inclusive fitness theory assumed additivity of costs and benefits. Recently, it has been argued that an exact version of Hamilton's rule for the spread of a pro-social allele (rb > c) holds under nonadditive pay-offs, so long as the cost and benefit terms are defined as partial regression coefficients rather than pay-off parameters. This article examines whether one of the key components of Hamilton's original theory can be preserved when the rule is generalized to the nonadditive case in this way, namely that evolved organisms will behave as if trying to maximize their inclusive fitness in social encounters. © 2015 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2015 European Society For Evolutionary Biology.

Application of Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography in rapid and simultaneous determination of essential components in crude Radix Scrophulariae.

PubMed

Li, Xiaomeng; Fang, Dansi; Cong, Xiaodong; Cao, Gang; Cai, Hao; Cai, Baochang

2012-12-01

A method is described using rapid and sensitive Fourier transform near-infrared spectroscopy combined with high-performance liquid chromatography-diode array detection for the simultaneous identification and determination of four bioactive compounds in crude Radix Scrophulariae samples. Partial least squares regression is selected as the analysis type and multiplicative scatter correction, second derivative, and Savitzky-Golay filter were adopted for the spectral pretreatment. The correlation coefficients (R) of the calibration models were above 0.96 and the root mean square error of predictions were under 0.028. The developed models were applied to unknown samples with satisfactory results. The established method was validated and can be applied to the intrinsic quality control of crude Radix Scrophulariae.

Life-space mobility and social support in elderly adults with orthopaedic disorders.

PubMed

Suzuki, Tomoko; Kitaike, Tadashi; Ikezaki, Sumie

2014-03-01

The purpose of this cross-sectional survey was to explore relationships between life-space mobility and the related factors in elderly Japanese people who attend orthopaedic clinics. The study measures included surveys of life-space mobility (Life-space Assessment (LSA) score), social support (social network diversity and social ties), physical ability (instrumental self-maintenance, intellectual activity, social role), orthopaedic factors (diseases and symptoms) and demographic information. The questionnaire was distributed to 156 subjects; 152 persons responded, yielding 140 valid responses. Mean age of the sample was 76.0 ± 6.4 (range, 65-96 years), with 57.9% women (n = 81). In a multiple regression analysis, the six factors were significantly associated with LSA. Standardized partial regression coefficients (β) were gender (0.342), instrumental self-maintenance (0.297), social network diversity (0.217), age (-0.170), difficulty of motion (-0.156) and intellectual activity (0.150), with an adjusted R(2) = 0.488. These results suggest that outpatient health-care providers need to intervene in not only addressing orthopaedic factors but also promoting social support among elderly Japanese. © 2014 Wiley Publishing Asia Pty Ltd.

A rapid method for detection of fumonisins B1 and B2 in corn meal using Fourier transform near infrared (FT-NIR) spectroscopy implemented with integrating sphere.

PubMed

Gaspardo, B; Del Zotto, S; Torelli, E; Cividino, S R; Firrao, G; Della Riccia, G; Stefanon, B

2012-12-01

Fourier transform near infrared (FT-NIR) spectroscopy is an analytical procedure generally used to detect organic compounds in food. In this work the ability to predict fumonisin B(1)+B(2) contents in corn meal using an FT-NIR spectrophotometer, equipped with an integration sphere, was assessed. A total of 143 corn meal samples were collected in Friuli Venezia Giulia Region (Italy) and used to define a 15 principal components regression model, applying partial least square regression algorithm with full cross validation as internal validation. External validation was performed to 25 unknown samples. Coefficients of correlation, root mean square error and standard error of calibration were 0.964, 0.630 and 0.632, respectively and the external validation confirmed a fair potential of the model in predicting FB(1)+FB(2) concentration. Results suggest that FT-NIR analysis is a suitable method to detect FB(1)+FB(2) in corn meal and to discriminate safe meals from those contaminated. Copyright © 2012 Elsevier Ltd. All rights reserved.

Evaluation of in-line Raman data for end-point determination of a coating process: Comparison of Science-Based Calibration, PLS-regression and univariate data analysis.

PubMed

Barimani, Shirin; Kleinebudde, Peter

2017-10-01

A multivariate analysis method, Science-Based Calibration (SBC), was used for the first time for endpoint determination of a tablet coating process using Raman data. Two types of tablet cores, placebo and caffeine cores, received a coating suspension comprising a polyvinyl alcohol-polyethylene glycol graft-copolymer and titanium dioxide to a maximum coating thickness of 80µm. Raman spectroscopy was used as in-line PAT tool. The spectra were acquired every minute and correlated to the amount of applied aqueous coating suspension. SBC was compared to another well-known multivariate analysis method, Partial Least Squares-regression (PLS) and a simpler approach, Univariate Data Analysis (UVDA). All developed calibration models had coefficient of determination values (R 2 ) higher than 0.99. The coating endpoints could be predicted with root mean square errors (RMSEP) less than 3.1% of the applied coating suspensions. Compared to PLS and UVDA, SBC proved to be an alternative multivariate calibration method with high predictive power. Copyright © 2017 Elsevier B.V. All rights reserved.

Detection of Butter Adulteration with Lard by Employing (1)H-NMR Spectroscopy and Multivariate Data Analysis.

PubMed

Fadzillah, Nurrulhidayah Ahmad; Man, Yaakob bin Che; Rohman, Abdul; Rosman, Arieff Salleh; Ismail, Amin; Mustafa, Shuhaimi; Khatib, Alfi

2015-01-01

The authentication of food products from the presence of non-allowed components for certain religion like lard is very important. In this study, we used proton Nuclear Magnetic Resonance ((1)H-NMR) spectroscopy for the analysis of butter adulterated with lard by simultaneously quantification of all proton bearing compounds, and consequently all relevant sample classes. Since the spectra obtained were too complex to be analyzed visually by the naked eyes, the classification of spectra was carried out.The multivariate calibration of partial least square (PLS) regression was used for modelling the relationship between actual value of lard and predicted value. The model yielded a highest regression coefficient (R(2)) of 0.998 and the lowest root mean square error calibration (RMSEC) of 0.0091% and root mean square error prediction (RMSEP) of 0.0090, respectively. Cross validation testing evaluates the predictive power of the model. PLS model was shown as good models as the intercept of R(2)Y and Q(2)Y were 0.0853 and -0.309, respectively.

Consistent transport coefficients in astrophysics

NASA Technical Reports Server (NTRS)

Fontenla, Juan M.; Rovira, M.; Ferrofontan, C.

1986-01-01

A consistent theory for dealing with transport phenomena in stellar atmospheres starting with the kinetic equations and introducing three cases (LTE, partial LTE, and non-LTE) was developed. The consistent hydrodynamical equations were presented for partial-LTE, the transport coefficients defined, and a method shown to calculate them. The method is based on the numerical solution of kinetic equations considering Landau, Boltzmann, and Focker-Planck collision terms. Finally a set of results for the transport coefficients derived for a partially ionized hydrogen gas with radiation was shown, considering ionization and recombination as well as elastic collisions. The results obtained imply major changes is some types of theoretical model calculations and can resolve some important current problems concerning energy and mass balance in the solar atmosphere. It is shown that energy balance in the lower solar transition region can be fully explained by means of radiation losses and conductive flux.

Clustering Coefficients for Correlation Networks.

PubMed

Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu

2018-01-01

Graph theory is a useful tool for deciphering structural and functional networks of the brain on various spatial and temporal scales. The clustering coefficient quantifies the abundance of connected triangles in a network and is a major descriptive statistics of networks. For example, it finds an application in the assessment of small-worldness of brain networks, which is affected by attentional and cognitive conditions, age, psychiatric disorders and so forth. However, it remains unclear how the clustering coefficient should be measured in a correlation-based network, which is among major representations of brain networks. In the present article, we propose clustering coefficients tailored to correlation matrices. The key idea is to use three-way partial correlation or partial mutual information to measure the strength of the association between the two neighboring nodes of a focal node relative to the amount of pseudo-correlation expected from indirect paths between the nodes. Our method avoids the difficulties of previous applications of clustering coefficient (and other) measures in defining correlational networks, i.e., thresholding on the correlation value, discarding of negative correlation values, the pseudo-correlation problem and full partial correlation matrices whose estimation is computationally difficult. For proof of concept, we apply the proposed clustering coefficient measures to functional magnetic resonance imaging data obtained from healthy participants of various ages and compare them with conventional clustering coefficients. We show that the clustering coefficients decline with the age. The proposed clustering coefficients are more strongly correlated with age than the conventional ones are. We also show that the local variants of the proposed clustering coefficients (i.e., abundance of triangles around a focal node) are useful in characterizing individual nodes. In contrast, the conventional local clustering coefficients were strongly correlated with and therefore may be confounded by the node's connectivity. The proposed methods are expected to help us to understand clustering and lack thereof in correlational brain networks, such as those derived from functional time series and across-participant correlation in neuroanatomical properties.

Clustering Coefficients for Correlation Networks

PubMed Central

Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu

2018-01-01

Graph theory is a useful tool for deciphering structural and functional networks of the brain on various spatial and temporal scales. The clustering coefficient quantifies the abundance of connected triangles in a network and is a major descriptive statistics of networks. For example, it finds an application in the assessment of small-worldness of brain networks, which is affected by attentional and cognitive conditions, age, psychiatric disorders and so forth. However, it remains unclear how the clustering coefficient should be measured in a correlation-based network, which is among major representations of brain networks. In the present article, we propose clustering coefficients tailored to correlation matrices. The key idea is to use three-way partial correlation or partial mutual information to measure the strength of the association between the two neighboring nodes of a focal node relative to the amount of pseudo-correlation expected from indirect paths between the nodes. Our method avoids the difficulties of previous applications of clustering coefficient (and other) measures in defining correlational networks, i.e., thresholding on the correlation value, discarding of negative correlation values, the pseudo-correlation problem and full partial correlation matrices whose estimation is computationally difficult. For proof of concept, we apply the proposed clustering coefficient measures to functional magnetic resonance imaging data obtained from healthy participants of various ages and compare them with conventional clustering coefficients. We show that the clustering coefficients decline with the age. The proposed clustering coefficients are more strongly correlated with age than the conventional ones are. We also show that the local variants of the proposed clustering coefficients (i.e., abundance of triangles around a focal node) are useful in characterizing individual nodes. In contrast, the conventional local clustering coefficients were strongly correlated with and therefore may be confounded by the node's connectivity. The proposed methods are expected to help us to understand clustering and lack thereof in correlational brain networks, such as those derived from functional time series and across-participant correlation in neuroanatomical properties. PMID:29599714

Bayesian semi-parametric analysis of Poisson change-point regression models: application to policy making in Cali, Colombia.

PubMed

Park, Taeyoung; Krafty, Robert T; Sánchez, Alvaro I

2012-07-27

A Poisson regression model with an offset assumes a constant baseline rate after accounting for measured covariates, which may lead to biased estimates of coefficients in an inhomogeneous Poisson process. To correctly estimate the effect of time-dependent covariates, we propose a Poisson change-point regression model with an offset that allows a time-varying baseline rate. When the nonconstant pattern of a log baseline rate is modeled with a nonparametric step function, the resulting semi-parametric model involves a model component of varying dimension and thus requires a sophisticated varying-dimensional inference to obtain correct estimates of model parameters of fixed dimension. To fit the proposed varying-dimensional model, we devise a state-of-the-art MCMC-type algorithm based on partial collapse. The proposed model and methods are used to investigate an association between daily homicide rates in Cali, Colombia and policies that restrict the hours during which the legal sale of alcoholic beverages is permitted. While simultaneously identifying the latent changes in the baseline homicide rate which correspond to the incidence of sociopolitical events, we explore the effect of policies governing the sale of alcohol on homicide rates and seek a policy that balances the economic and cultural dependencies on alcohol sales to the health of the public.

Cellulose microfibril orientation of Picea abies and its variability at the micron-level determined by Raman imaging.

PubMed

Gierlinger, Notburga; Luss, Saskia; König, Christian; Konnerth, Johannes; Eder, Michaela; Fratzl, Peter

2010-01-01

The functional characteristics of plant cell walls depend on the composition of the cell wall polymers, as well as on their highly ordered architecture at scales from a few nanometres to several microns. Raman spectra of wood acquired with linear polarized laser light include information about polymer composition as well as the alignment of cellulose microfibrils with respect to the fibre axis (microfibril angle). By changing the laser polarization direction in 3 degrees steps, the dependency between cellulose and laser orientation direction was investigated. Orientation-dependent changes of band height ratios and spectra were described by quadratic linear regression and partial least square regressions, respectively. Using the models and regressions with high coefficients of determination (R(2) > 0.99) microfibril orientation was predicted in the S1 and S2 layers distinguished by the Raman imaging approach in cross-sections of spruce normal, opposite, and compression wood. The determined microfibril angle (MFA) in the different S2 layers ranged from 0 degrees to 49.9 degrees and was in coincidence with X-ray diffraction determination. With the prerequisite of geometric sample and laser alignment, exact MFA prediction can complete the picture of the chemical cell wall design gained by the Raman imaging approach at the micron level in all plant tissues.

Clustering stocks using partial correlation coefficients

NASA Astrophysics Data System (ADS)

Jung, Sean S.; Chang, Woojin

2016-11-01

A partial correlation analysis is performed on the Korean stock market (KOSPI). The difference between Pearson correlation and the partial correlation is analyzed and it is found that when conditioned on the market return, Pearson correlation coefficients are generally greater than those of the partial correlation, which implies that the market return tends to drive up the correlation between stock returns. A clustering analysis is then performed to study the market structure given by the partial correlation analysis and the members of the clusters are compared with the Global Industry Classification Standard (GICS). The initial hypothesis is that the firms in the same GICS sector are clustered together since they are in a similar business and environment. However, the result is inconsistent with the hypothesis and most clusters are a mix of multiple sectors suggesting that the traditional approach of using sectors to determine the proximity between stocks may not be sufficient enough to diversify a portfolio.

Effect of Carcass Traits on Carcass Prices of Holstein Steers in Korea

PubMed Central

Alam, M.; Cho, K. H.; Lee, S. S.; Choy, Y. H.; Kim, H. S.; Cho, C. I.; Choi, T. J.

2013-01-01

The present study investigated the contribution of carcass traits on carcass prices of Holstein steers in Korea. Phenotypic data consisted of 76,814 slaughtered Holsteins (1 to 6 yrs) from all over Korea. The means for live body weight at slaughter (BWT), chilled carcass weight (CWT), dressing percentage (DP), quantity grade index (QGI), eye muscle area (EMA), backfat thickness (BF) and marbling score (MS), carcass unit price (CUP), and carcass sell prices (CSP) were 729.0 kg, 414.2 kg, 56.79%, 64.42, 75.26 cm2, 5.77 mm, 1.98, 8,952.80 Korean won/kg and 3,722.80 Thousand Korean won/head. Least squares means were significantly different by various age groups, season of slaughter, marbling scores and yield grades. Pearson’s correlation coefficients of CUP with carcass traits ranged from 0.12 to 0.62. Besides, the relationships of carcass traits with CSP were relatively stronger than those with CUP. The multiple regression models for CUP and CSP with carcass traits accounted 39 to 63% of the total variation, respectively. Marbling score had maximum economic effects (partial coefficients) on both prices. In addition, the highest standardized partial coefficients (relative economic weights) for CUP and CSP were calculated to be on MS and CWT by 0.608 and 0.520, respectively. Path analyses showed that MS (0.376) and CWT (0.336) had maximum total effects on CUP and CSP, respectively; whereas BF contributed negatively. Further sub-group (age and season of slaughter) analyses also confirmed the overall outcomes. However, the relative economic weights and total path contributions also varied among the animal sub-groups. This study suggested the significant influences of carcass traits on carcass prices; especially MS and CWT were found to govern the carcass prices of Holstein steers in Korea. PMID:25049722

Near-infrared Spectroscopy as a Process Analytical Technology Tool for Monitoring the Parching Process of Traditional Chinese Medicine Based on Two Kinds of Chemical Indicators.

PubMed

Li, Kaiyue; Wang, Weiying; Liu, Yanping; Jiang, Su; Huang, Guo; Ye, Liming

2017-01-01

The active ingredients and thus pharmacological efficacy of traditional Chinese medicine (TCM) at different degrees of parching process vary greatly. Near-infrared spectroscopy (NIR) was used to develop a new method for rapid online analysis of TCM parching process, using two kinds of chemical indicators (5-(hydroxymethyl) furfural [5-HMF] content and 420 nm absorbance) as reference values which were obviously observed and changed in most TCM parching process. Three representative TCMs, Areca ( Areca catechu L.), Malt ( Hordeum Vulgare L.), and Hawthorn ( Crataegus pinnatifida Bge.), were used in this study. With partial least squares regression, calibration models of NIR were generated based on two kinds of reference values, i.e. 5-HMF contents measured by high-performance liquid chromatography (HPLC) and 420 nm absorbance measured by ultraviolet-visible spectroscopy (UV/Vis), respectively. In the optimized models for 5-HMF, the root mean square errors of prediction (RMSEP) for Areca, Malt, and Hawthorn was 0.0192, 0.0301, and 0.2600 and correlation coefficients ( R cal ) were 99.86%, 99.88%, and 99.88%, respectively. Moreover, in the optimized models using 420 nm absorbance as reference values, the RMSEP for Areca, Malt, and Hawthorn was 0.0229, 0.0096, and 0.0409 and R cal were 99.69%, 99.81%, and 99.62%, respectively. NIR models with 5-HMF content and 420 nm absorbance as reference values can rapidly and effectively identify three kinds of TCM in different parching processes. This method has great promise to replace current subjective color judgment and time-consuming HPLC or UV/Vis methods and is suitable for rapid online analysis and quality control in TCM industrial manufacturing process. Near-infrared spectroscopy.(NIR) was used to develop a new method for online analysis of traditional Chinese medicine.(TCM) parching processCalibration and validation models of Areca, Malt, and Hawthorn were generated by partial least squares regression using 5.(hydroxymethyl) furfural contents and 420.nm absorbance as reference values, respectively, which were main indicator components during parching process of most TCMThe established NIR models of three TCMs had low root mean square errors of prediction and high correlation coefficientsThe NIR method has great promise for use in TCM industrial manufacturing processes for rapid online analysis and quality control. Abbreviations used: NIR: Near-infrared Spectroscopy; TCM: Traditional Chinese medicine; Areca: Areca catechu L.; Hawthorn: Crataegus pinnatifida Bge.; Malt: Hordeum vulgare L.; 5-HMF: 5-(hydroxymethyl) furfural; PLS: Partial least squares; D: Dimension faction; SLS: Straight line subtraction, MSC: Multiplicative scatter correction; VN: Vector normalization; RMSECV: Root mean square errors of cross-validation; RMSEP: Root mean square errors of validation; R cal : Correlation coefficients; RPD: Residual predictive deviation; PAT: Process analytical technology; FDA: Food and Drug Administration; ICH: International Conference on Harmonization of Technical Requirements for Registration of Pharmaceuticals for Human Use.

Changes of pituitary gland volume in Kennedy disease.

PubMed

Pieper, C C; Teismann, I K; Konrad, C; Heindel, W L; Schiffbauer, H

2013-12-01

Kennedy disease is a rare X-linked neurodegenerative disorder caused by a CAG repeat expansion in the first exon of the androgen-receptor gene. Apart from neurologic signs, this mutation can cause a partial androgen insensitivity syndrome with typical alterations of gonadotropic hormones produced by the pituitary gland. The aim of the present study was therefore to evaluate the impact of Kennedy disease on pituitary gland volume under the hypothesis that endocrinologic changes caused by partial androgen insensitivity may lead to morphologic changes (ie, hypertrophy) of the pituitary gland. Pituitary gland volume was measured in sagittal sections of 3D T1-weighted 3T-MR imaging data of 8 patients with genetically proven Kennedy disease and compared with 16 healthy age-matched control subjects by use of Multitracer by a blinded, experienced radiologist. The results were analyzed by a univariant ANOVA with total brain volume as a covariant. Furthermore, correlation and linear regression analyses were performed for pituitary volume, patient age, disease duration, and CAG repeat expansion length. Intraobserver reliability was evaluated by means of the Pearson correlation coefficient. Pituitary volume was significantly larger in patients with Kennedy disease (636 [±90] mm(3)) than in healthy control subjects (534 [±91] mm(3)) (P = .041). There was no significant difference in total brain volume (P = .379). Control subjects showed a significant decrease in volume with age (r = -0.712, P = .002), whereas there was a trend to increasing gland volume in patients with Kennedy disease (r = 0.443, P = .272). Gland volume correlated with CAG repeat expansion length in patients (r = 0.630, P = .047). The correlation coefficient for intraobserver reliability was 0.94 (P < .001). Patients with Kennedy disease showed a significantly higher pituitary volume that correlated with the CAG repeat expansion length. This could reflect hypertrophy as the result of elevated gonadotropic hormone secretion caused by the androgen receptor mutation with partial androgen insensitivity.

Confidence Intervals for Squared Semipartial Correlation Coefficients: The Effect of Nonnormality

ERIC Educational Resources Information Center

Algina, James; Keselman, H. J.; Penfield, Randall D.

2010-01-01

The increase in the squared multiple correlation coefficient ([delta]R[superscript 2]) associated with a variable in a regression equation is a commonly used measure of importance in regression analysis. Algina, Keselman, and Penfield found that intervals based on asymptotic principles were typically very inaccurate, even though the sample size…

Estimation of octanol/water partition coefficients using LSER parameters

USGS Publications Warehouse

Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N.

1998-01-01

The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.

Understanding the power reflection and transmission coefficients of a plane wave at a planar interface

NASA Astrophysics Data System (ADS)

Ye, Qian; Jiang, Yikun; Lin, Haoze

2017-03-01

In most textbooks, after discussing the partial transmission and reflection of a plane wave at a planar interface, the power (energy) reflection and transmission coefficients are introduced by calculating the normal-to-interface components of the Poynting vectors for the incident, reflected and transmitted waves, separately. Ambiguity arises among students since, for the Poynting vector to be interpreted as the energy flux density, on the incident (reflected) side, the electric and magnetic fields involved must be the total fields, namely, the sum of incident and reflected fields, instead of the partial fields which are just the incident (reflected) fields. The interpretation of the cross product of partial fields as energy flux has not been obviously justified in most textbooks. Besides, the plane wave is actually an idealisation that is only ever found in textbooks, then what do the reflection and transmission coefficients evaluated for a plane wave really mean for a real beam of limited extent? To provide a clearer physical picture, we exemplify a light beam of finite transverse extent by a fundamental Gaussian beam and simulate its reflection and transmission at a planar interface. Due to its finite transverse extent, we can then insert the incident fields or reflected fields as total fields into the expression of the Poynting vector to evaluate the energy flux and then power reflection and transmission coefficients. We demonstrate that the power reflection and transmission coefficients of a beam of finite extent turn out to be the weighted sum of the corresponding coefficients for all constituent plane wave components that form the beam. The power reflection and transmission coefficients of a single plane wave serve, in turn, as the asymptotes for the corresponding coefficients of a light beam as its width expands infinitely.

Thermal requirements of Dermanyssus gallinae (De Geer, 1778) (Acari: Dermanyssidae).

PubMed

Tucci, Edna Clara; do Prado, Angelo P; de Araújo, Raquel Pires

2008-01-01

The thermal requirements for development of Dermanyssus gallinae were studied under laboratory conditions at 15, 20, 25, 30 and 35 degrees C, a 12h photoperiod and 60-85% RH. The thermal requirements for D. gallinae were as follows. Preoviposition: base temperature 3.4 degrees C, thermal constant (k) 562.85 degree-hours, determination coefficient (R(2)) 0.59, regression equation: Y= -0.006035 + 0.001777x. Egg: base temperature 10.60 degrees C, thermal constant (k) 689.65 degree-hours, determination coefficient (R(2)) 0.94, regression equation: Y= -0.015367 + 0.001450x. Larva: base temperature 9.82 degrees C, thermal constant (k) 464.91 degree-hours, determination coefficient (R(2)) 0.87, regression equation: Y= -0.021123 + 0.002151x. Protonymph: base temperature 10.17 degrees C, thermal constant (k) 504.49 degree-hours, determination coefficient (R(2)) 0.90, regression equation: Y= -0.020152 + 0.001982x. Deutonymph: base temperature 11.80 degrees C, thermal constant (k) 501.11 degree-hours, determination coefficient (R(2)) 0.99, regression equation: Y= -0.023555 + 0.001996x. The results obtained showed that 15 to 42 generations of Dermanyssus gallinae may occur during the year in the State of São Paulo, as estimated based on isotherm charts. Dermanyssus gallinae may develop continually in the State of São Paulo, with a population decrease in the winter. There were differences between the developmental stages of D. gallinae in relation to thermal requirements.

Body image, body dissatisfaction and weight status in South Asian children: a cross-sectional study.

PubMed

Pallan, Miranda J; Hiam, Lucinda C; Duda, Joan L; Adab, Peymane

2011-01-09

Childhood obesity is a continuing problem in the UK and South Asian children represent a group that are particularly vulnerable to its health consequences. The relationship between body dissatisfaction and obesity is well documented in older children and adults, but is less clear in young children, particularly South Asians. A better understanding of this relationship in young South Asian children will inform the design and delivery of obesity intervention programmes. The aim of this study is to describe body image size perception and dissatisfaction, and their relationship to weight status in primary school aged UK South Asian children. Objective measures of height and weight were undertaken on 574 predominantly South Asian children aged 5-7 (296 boys and 278 girls). BMI z-scores, and weight status (underweight, healthy weight, overweight or obese) were calculated based on the UK 1990 BMI reference charts. Figure rating scales were used to assess perceived body image size (asking children to identify their perceived body size) and dissatisfaction (difference between perceived current and ideal body size). The relationship between these and weight status were examined using multivariate analyses. Perceived body image size was positively associated with weight status (partial regression coefficient for overweight/obese vs. non-overweight/obese was 0.63 (95% CI 0.26-0.99) and for BMI z-score was 0.21 (95% CI 0.10-0.31), adjusted for sex, age and ethnicity). Body dissatisfaction was also associated with weight status, with overweight and obese children more likely to select thinner ideal body size than healthy weight children (adjusted partial regression coefficient for overweight/obese vs. non-overweight/obese was 1.47 (95% CI 0.99-1.96) and for BMI z-score was 0.54 (95% CI 0.40-0.67)). Awareness of body image size and increasing body dissatisfaction with higher weight status is established at a young age in this population. This needs to be considered when designing interventions to reduce obesity in young children, in terms of both benefits and harms.

Body image, body dissatisfaction and weight status in south asian children: a cross-sectional study

PubMed Central

2011-01-01

Background Childhood obesity is a continuing problem in the UK and South Asian children represent a group that are particularly vulnerable to its health consequences. The relationship between body dissatisfaction and obesity is well documented in older children and adults, but is less clear in young children, particularly South Asians. A better understanding of this relationship in young South Asian children will inform the design and delivery of obesity intervention programmes. The aim of this study is to describe body image size perception and dissatisfaction, and their relationship to weight status in primary school aged UK South Asian children. Methods Objective measures of height and weight were undertaken on 574 predominantly South Asian children aged 5-7 (296 boys and 278 girls). BMI z-scores, and weight status (underweight, healthy weight, overweight or obese) were calculated based on the UK 1990 BMI reference charts. Figure rating scales were used to assess perceived body image size (asking children to identify their perceived body size) and dissatisfaction (difference between perceived current and ideal body size). The relationship between these and weight status were examined using multivariate analyses. Results Perceived body image size was positively associated with weight status (partial regression coefficient for overweight/obese vs. non-overweight/obese was 0.63 (95% CI 0.26-0.99) and for BMI z-score was 0.21 (95% CI 0.10-0.31), adjusted for sex, age and ethnicity). Body dissatisfaction was also associated with weight status, with overweight and obese children more likely to select thinner ideal body size than healthy weight children (adjusted partial regression coefficient for overweight/obese vs. non-overweight/obese was 1.47 (95% CI 0.99-1.96) and for BMI z-score was 0.54 (95% CI 0.40-0.67)). Conclusions Awareness of body image size and increasing body dissatisfaction with higher weight status is established at a young age in this population. This needs to be considered when designing interventions to reduce obesity in young children, in terms of both benefits and harms. PMID:21214956

Biostatistics Series Module 6: Correlation and Linear Regression.

PubMed

Hazra, Avijit; Gogtay, Nithya

2016-01-01

Correlation and linear regression are the most commonly used techniques for quantifying the association between two numeric variables. Correlation quantifies the strength of the linear relationship between paired variables, expressing this as a correlation coefficient. If both variables x and y are normally distributed, we calculate Pearson's correlation coefficient ( r ). If normality assumption is not met for one or both variables in a correlation analysis, a rank correlation coefficient, such as Spearman's rho (ρ) may be calculated. A hypothesis test of correlation tests whether the linear relationship between the two variables holds in the underlying population, in which case it returns a P < 0.05. A 95% confidence interval of the correlation coefficient can also be calculated for an idea of the correlation in the population. The value r 2 denotes the proportion of the variability of the dependent variable y that can be attributed to its linear relation with the independent variable x and is called the coefficient of determination. Linear regression is a technique that attempts to link two correlated variables x and y in the form of a mathematical equation ( y = a + bx ), such that given the value of one variable the other may be predicted. In general, the method of least squares is applied to obtain the equation of the regression line. Correlation and linear regression analysis are based on certain assumptions pertaining to the data sets. If these assumptions are not met, misleading conclusions may be drawn. The first assumption is that of linear relationship between the two variables. A scatter plot is essential before embarking on any correlation-regression analysis to show that this is indeed the case. Outliers or clustering within data sets can distort the correlation coefficient value. Finally, it is vital to remember that though strong correlation can be a pointer toward causation, the two are not synonymous.

Biostatistics Series Module 6: Correlation and Linear Regression

PubMed Central

Hazra, Avijit; Gogtay, Nithya

2016-01-01

Correlation and linear regression are the most commonly used techniques for quantifying the association between two numeric variables. Correlation quantifies the strength of the linear relationship between paired variables, expressing this as a correlation coefficient. If both variables x and y are normally distributed, we calculate Pearson's correlation coefficient (r). If normality assumption is not met for one or both variables in a correlation analysis, a rank correlation coefficient, such as Spearman's rho (ρ) may be calculated. A hypothesis test of correlation tests whether the linear relationship between the two variables holds in the underlying population, in which case it returns a P < 0.05. A 95% confidence interval of the correlation coefficient can also be calculated for an idea of the correlation in the population. The value r2 denotes the proportion of the variability of the dependent variable y that can be attributed to its linear relation with the independent variable x and is called the coefficient of determination. Linear regression is a technique that attempts to link two correlated variables x and y in the form of a mathematical equation (y = a + bx), such that given the value of one variable the other may be predicted. In general, the method of least squares is applied to obtain the equation of the regression line. Correlation and linear regression analysis are based on certain assumptions pertaining to the data sets. If these assumptions are not met, misleading conclusions may be drawn. The first assumption is that of linear relationship between the two variables. A scatter plot is essential before embarking on any correlation-regression analysis to show that this is indeed the case. Outliers or clustering within data sets can distort the correlation coefficient value. Finally, it is vital to remember that though strong correlation can be a pointer toward causation, the two are not synonymous. PMID:27904175

Application of Partial Least Square (PLS) Regression to Determine Landscape-Scale Aquatic Resources Vulnerability in the Ozark Mountains

EPA Science Inventory

Partial least squares (PLS) analysis offers a number of advantages over the more traditionally used regression analyses applied in landscape ecology, particularly for determining the associations among multiple constituents of surface water and landscape configuration. Common dat...

On Partial Fraction Decompositions by Repeated Polynomial Divisions

ERIC Educational Resources Information Center

Man, Yiu-Kwong

2017-01-01

We present a method for finding partial fraction decompositions of rational functions with linear or quadratic factors in the denominators by means of repeated polynomial divisions. This method does not involve differentiation or solving linear equations for obtaining the unknown partial fraction coefficients, which is very suitable for either…

Factor Scores, Structure Coefficients, and Communality Coefficients

ERIC Educational Resources Information Center

Goodwyn, Fara

2012-01-01

This paper presents heuristic explanations of factor scores, structure coefficients, and communality coefficients. Common misconceptions regarding these topics are clarified. In addition, (a) the regression (b) Bartlett, (c) Anderson-Rubin, and (d) Thompson methods for calculating factor scores are reviewed. Syntax necessary to execute all four…

Kernel Partial Least Squares for Nonlinear Regression and Discrimination

NASA Technical Reports Server (NTRS)

Rosipal, Roman; Clancy, Daniel (Technical Monitor)

2002-01-01

This paper summarizes recent results on applying the method of partial least squares (PLS) in a reproducing kernel Hilbert space (RKHS). A previously proposed kernel PLS regression model was proven to be competitive with other regularized regression methods in RKHS. The family of nonlinear kernel-based PLS models is extended by considering the kernel PLS method for discrimination. Theoretical and experimental results on a two-class discrimination problem indicate usefulness of the method.

Application of Partial Least Squares (PLS) Regression to Determine Landscape-Scale Aquatic Resource Vulnerability in the Ozark Mountains

EPA Science Inventory

Partial least squares (PLS) analysis offers a number of advantages over the more traditionally used regression analyses applied in landscape ecology to study the associations among constituents of surface water and landscapes. Common data problems in ecological studies include: s...

Multiple linear regression analysis

NASA Technical Reports Server (NTRS)

Edwards, T. R.

1980-01-01

Program rapidly selects best-suited set of coefficients. User supplies only vectors of independent and dependent data and specifies confidence level required. Program uses stepwise statistical procedure for relating minimal set of variables to set of observations; final regression contains only most statistically significant coefficients. Program is written in FORTRAN IV for batch execution and has been implemented on NOVA 1200.

Solution of elliptic partial differential equations by fast Poisson solvers using a local relaxation factor. 2: Two-step method

NASA Technical Reports Server (NTRS)

Chang, S. C.

1986-01-01

A two-step semidirect procedure is developed to accelerate the one-step procedure described in NASA TP-2529. For a set of constant coefficient model problems, the acceleration factor increases from 1 to 2 as the one-step procedure convergence rate decreases from + infinity to 0. It is also shown numerically that the two-step procedure can substantially accelerate the convergence of the numerical solution of many partial differential equations (PDE's) with variable coefficients.

Parameter estimation problems for distributed systems using a multigrid method

NASA Technical Reports Server (NTRS)

Ta'asan, Shlomo; Dutt, Pravir

1990-01-01

The problem of estimating spatially varying coefficients of partial differential equations is considered from observation of the solution and of the right hand side of the equation. It is assumed that the observations are distributed in the domain and that enough observations are given. A method of discretization and an efficient multigrid method for solving the resulting discrete systems are described. Numerical results are presented for estimation of coefficients in an elliptic and a parabolic partial differential equation.

Peripheral Refraction, Peripheral Eye Length, and Retinal Shape in Myopia.

PubMed

Verkicharla, Pavan K; Suheimat, Marwan; Schmid, Katrina L; Atchison, David A

2016-09-01

To investigate how peripheral refraction and peripheral eye length are related to retinal shape. Relative peripheral refraction (RPR) and relative peripheral eye length (RPEL) were determined in 36 young adults (M +0.75D to -5.25D) along horizontal and vertical visual field meridians out to ±35° and ±30°, respectively. Retinal shape was determined in terms of vertex radius of curvature Rv, asphericity Q, and equivalent radius of curvature REq using a partial coherence interferometry method involving peripheral eye lengths and model eye raytracing. Second-order polynomial fits were applied to RPR and RPEL as functions of visual field position. Linear regressions were determined for the fits' second order coefficients and for retinal shape estimates as functions of central spherical refraction. Linear regressions investigated relationships of RPR and RPEL with retinal shape estimates. Peripheral refraction, peripheral eye lengths, and retinal shapes were significantly affected by meridian and refraction. More positive (hyperopic) relative peripheral refraction, more negative RPELs, and steeper retinas were found along the horizontal than along the vertical meridian and in myopes than in emmetropes. RPR and RPEL, as represented by their second-order fit coefficients, correlated significantly with retinal shape represented by REq. Effects of meridian and refraction on RPR and RPEL patterns are consistent with effects on retinal shape. Patterns derived from one of these predict the others: more positive (hyperopic) RPR predicts more negative RPEL and steeper retinas, more negative RPEL predicts more positive relative peripheral refraction and steeper retinas, and steeper retinas derived from peripheral eye lengths predict more positive RPR.

Prediction of ethanol in bottled Chinese rice wine by NIR spectroscopy

NASA Astrophysics Data System (ADS)

Ying, Yibin; Yu, Haiyan; Pan, Xingxiang; Lin, Tao

2006-10-01

To evaluate the applicability of non-invasive visible and near infrared (VIS-NIR) spectroscopy for determining ethanol concentration of Chinese rice wine in square brown glass bottle, transmission spectra of 100 bottled Chinese rice wine samples were collected in the spectral range of 350-1200 nm. Statistical equations were established between the reference data and VIS-NIR spectra by partial least squares (PLS) regression method. Performance of three kinds of mathematical treatment of spectra (original spectra, first derivative spectra and second derivative spectra) were also discussed. The PLS models of original spectra turned out better results, with higher correlation coefficient in calibration (R cal) of 0.89, lower root mean standard error of calibration (RMSEC) of 0.165, and lower root mean standard error of cross validation (RMSECV) of 0.179. Using original spectra, PLS models for ethanol concentration prediction were developed. The R cal and the correlation coefficient in validation (R val) were 0.928 and 0.875, respectively; and the RMSEC and the root mean standard error of validation (RMSEP) were 0.135 (%, v v -1) and 0.177 (%, v v -1), respectively. The results demonstrated that VIS-NIR spectroscopy could be used to predict ethanol concentration in bottled Chinese rice wine.

Quantitative structure activity relationship studies of piperazinyl phenylalanine derivatives as VLA-4/VCAM-1 inhibitors.

PubMed

Bhargava, Dinesh; Karthikeyan, C; Moorthy, N S H N; Trivedi, Piyush

2009-09-01

QSAR study was carried out for a series of piperazinyl phenylalanine derivatives exhibiting VLA-4/VCAM-1 inhibitory activity to find out the structural features responsible for the biological activity. The QSAR study was carried out on V-life Molecular Design Suite software and the derived best QSAR model by partial least square (forward) regression method showed 85.67% variation in biological activity. The statistically significant model with high correlation coefficient (r2=0.85) was selected for further study and the resulted validation parameters of the model, crossed squared correlation coefficient (q2=0.76 and pred_r2=0.42) show the model has good predictive ability. The model showed that the parameters SaaNEindex, SsClcount slogP,and 4PathCount are highly correlated with VLA-4/VCAM-1 inhibitory activity of piperazinyl phenylalanine derivatives. The result of the study suggests that the chlorine atoms in the molecule and fourth order fragmentation patterns in the molecular skeleton favour VLA-4/VCAM-1 inhibition shown by the title compounds whereas lipophilicity and nitrogen bonded to aromatic bond are not conducive for VLA-4/VCAM-1 inhibitory activity.

Evaluation of apparent viscosity of Para rubber latex by diffuse reflection near-infrared spectroscopy.

PubMed

Sirisomboon, Panmanas; Chowbankrang, Rawiphan; Williams, Phil

2012-05-01

Near-infrared spectroscopy in diffuse reflection mode was used to evaluate the apparent viscosity of Para rubber field latex and concentrated latex over the wavelength range of 1100 to 2500 nm, using partial least square regression (PLSR). The model with ten principal components (PCs) developed using the raw spectra accurately predicted the apparent viscosity with correlation coefficient (r), standard error of prediction (SEP), and bias of 0.974, 8.6 cP, and -0.4 cP, respectively. The ratio of the SEP to the standard deviation (RPD) and the ratio of the SEP to the range (RER) for the prediction were 4.4 and 16.7, respectively. Therefore, the model can be used for measurement of the apparent viscosity of field latex and concentrated latex in quality assurance and process control in the factory.

Focal seizure symptoms in idiopathic generalized epilepsies.

PubMed

Seneviratne, Udaya; Woo, Jia J; Boston, Ray C; Cook, Mark; D'Souza, Wendyl

2015-08-18

We sought to study the frequency and prognostic value of focal seizure symptoms (FSS) in idiopathic generalized epilepsies (IGE) using a validated tool: Epilepsy Diagnostic Interview Questionnaire and Partial Seizure Symptom Definitions. Participants with IGE were recruited from epilepsy clinics at 2 tertiary hospitals. The diagnosis was validated and classified into syndromes according to the International League Against Epilepsy criteria by 2 epileptologists independently with discordance resolved by consensus. The Epilepsy Diagnostic Interview Questionnaire utilizes both open- and closed-ended questions to elicit FSS in association with generalized tonic-clonic seizures, myoclonus, and absences. The elicited FSS were classified according to the Partial Seizure Symptom Definitions. Regression analysis was conducted to examine the relationship between the duration of seizure freedom and FSS. A total of 135 patients were studied, of whom 70 (51.9%) reported FSS. Those symptoms occurred in association with generalized tonic-clonic seizures (53.1%) as well as myoclonus and absences (58%). FSS were reported with similar frequency in juvenile absence epilepsy (62.5%) and juvenile myoclonic epilepsy (60%), and with a lesser frequency in generalized epilepsy with tonic-clonic seizures only (39.5%) and childhood absence epilepsy (33.3%). A strong relationship between FSS and duration of seizure freedom was found (regression coefficient -0.665, p = 0.037). FSS are frequently reported by patients with IGE. A shorter duration of seizure freedom is associated with FSS. Recognition of the presence of FSS in IGE is important to avoid misdiagnosis and delayed diagnosis as well as to choose appropriate antiepileptic drug therapy. © 2015 American Academy of Neurology.

Testing for gene-environment interaction under exposure misspecification.

PubMed

Sun, Ryan; Carroll, Raymond J; Christiani, David C; Lin, Xihong

2017-11-09

Complex interplay between genetic and environmental factors characterizes the etiology of many diseases. Modeling gene-environment (GxE) interactions is often challenged by the unknown functional form of the environment term in the true data-generating mechanism. We study the impact of misspecification of the environmental exposure effect on inference for the GxE interaction term in linear and logistic regression models. We first examine the asymptotic bias of the GxE interaction regression coefficient, allowing for confounders as well as arbitrary misspecification of the exposure and confounder effects. For linear regression, we show that under gene-environment independence and some confounder-dependent conditions, when the environment effect is misspecified, the regression coefficient of the GxE interaction can be unbiased. However, inference on the GxE interaction is still often incorrect. In logistic regression, we show that the regression coefficient is generally biased if the genetic factor is associated with the outcome directly or indirectly. Further, we show that the standard robust sandwich variance estimator for the GxE interaction does not perform well in practical GxE studies, and we provide an alternative testing procedure that has better finite sample properties. © 2017, The International Biometric Society.

On Partial Fraction Expansion with Multiple Poles. Classroom Notes

ERIC Educational Resources Information Center

Hou, Shui-Hung; Hou, Edwin Sui-Hoi

2004-01-01

A simple and novel method for evaluating the partial fraction expansion of proper rational functions is presented. The technique involves simultaneous determination of the partial fraction coefficients associated with each of the multiple poles in the expansion in turn. Only synthetic division is required, which makes the process very suitable for…

An Improved Heaviside Approach to Partial Fraction Expansion and Its Applications

ERIC Educational Resources Information Center

Man, Yiu-Kwong

2009-01-01

In this note, we present an improved Heaviside approach to compute the partial fraction expansions of proper rational functions. This method uses synthetic divisions to determine the unknown partial fraction coefficients successively, without the need to use differentiation or to solve a system of linear equations. Examples of its applications in…

On Using the Average Intercorrelation Among Predictor Variables and Eigenvector Orientation to Choose a Regression Solution.

ERIC Educational Resources Information Center

Mugrage, Beverly; And Others

Three ridge regression solutions are compared with ordinary least squares regression and with principal components regression using all components. Ridge regression, particularly the Lawless-Wang solution, out-performed ordinary least squares regression and the principal components solution on the criteria of stability of coefficient and closeness…

Building a new predictor for multiple linear regression technique-based corrective maintenance turnaround time.

PubMed

Cruz, Antonio M; Barr, Cameron; Puñales-Pozo, Elsa

2008-01-01

This research's main goals were to build a predictor for a turnaround time (TAT) indicator for estimating its values and use a numerical clustering technique for finding possible causes of undesirable TAT values. The following stages were used: domain understanding, data characterisation and sample reduction and insight characterisation. Building the TAT indicator multiple linear regression predictor and clustering techniques were used for improving corrective maintenance task efficiency in a clinical engineering department (CED). The indicator being studied was turnaround time (TAT). Multiple linear regression was used for building a predictive TAT value model. The variables contributing to such model were clinical engineering department response time (CE(rt), 0.415 positive coefficient), stock service response time (Stock(rt), 0.734 positive coefficient), priority level (0.21 positive coefficient) and service time (0.06 positive coefficient). The regression process showed heavy reliance on Stock(rt), CE(rt) and priority, in that order. Clustering techniques revealed the main causes of high TAT values. This examination has provided a means for analysing current technical service quality and effectiveness. In doing so, it has demonstrated a process for identifying areas and methods of improvement and a model against which to analyse these methods' effectiveness.

Shrinkage regression-based methods for microarray missing value imputation.

PubMed

Wang, Hsiuying; Chiu, Chia-Chun; Wu, Yi-Ching; Wu, Wei-Sheng

2013-01-01

Missing values commonly occur in the microarray data, which usually contain more than 5% missing values with up to 90% of genes affected. Inaccurate missing value estimation results in reducing the power of downstream microarray data analyses. Many types of methods have been developed to estimate missing values. Among them, the regression-based methods are very popular and have been shown to perform better than the other types of methods in many testing microarray datasets. To further improve the performances of the regression-based methods, we propose shrinkage regression-based methods. Our methods take the advantage of the correlation structure in the microarray data and select similar genes for the target gene by Pearson correlation coefficients. Besides, our methods incorporate the least squares principle, utilize a shrinkage estimation approach to adjust the coefficients of the regression model, and then use the new coefficients to estimate missing values. Simulation results show that the proposed methods provide more accurate missing value estimation in six testing microarray datasets than the existing regression-based methods do. Imputation of missing values is a very important aspect of microarray data analyses because most of the downstream analyses require a complete dataset. Therefore, exploring accurate and efficient methods for estimating missing values has become an essential issue. Since our proposed shrinkage regression-based methods can provide accurate missing value estimation, they are competitive alternatives to the existing regression-based methods.

The microcomputer scientific software series 2: general linear model--regression.

Treesearch

Harold M. Rauscher

1983-01-01

The general linear model regression (GLMR) program provides the microcomputer user with a sophisticated regression analysis capability. The output provides a regression ANOVA table, estimators of the regression model coefficients, their confidence intervals, confidence intervals around the predicted Y-values, residuals for plotting, a check for multicollinearity, a...

Insulin resistance and the relationship between urinary Na(+)/K(+) and ambulatory blood pressure in a community of African ancestry.

PubMed

Millen, Aletta M E; Norton, Gavin R; Majane, Olebogeng H I; Maseko, Muzi J; Brooksbank, Richard; Michel, Frederic S; Snyman, Tracy; Sareli, Pinhas; Woodiwiss, Angela J

2013-05-01

Although groups of African descent are particularly sensitive to blood pressure (BP) effects of salt intake, the role of obesity and insulin resistance in mediating this effect is uncertain. We determined whether obesity or insulin resistance is independently associated with urinary Na(+)/K(+)-BP relationships in a community sample of African ancestry. We measured 24-hour urinary Na(+)/K(+), homeostasis model assessment of insulin resistance (HOMA-IR), and nurse-derived conventional and 24-hour ambulatory BP in 331 participants from a South African community sample of black African descent not receiving treatment for hypertension. With adjustments for diabetes mellitus and the individual terms, an interaction between waist circumference and urinary Na(+)/K(+) was associated with day diastolic BP (P < 0.05) and an interaction between log HOMA-IR and urinary Na(+)/K(+) was associated with 24-hour and day systolic (P < 0.05) and 24-hour, day, and night diastolic (P < 0.002; P < 0.001) BP. The multivariable-adjusted relationship between urinary Na(+)/K(+) and night diastolic BP increased across tertiles of HOMA-IR (tertile 1: β-coefficient = -0.79 ± 0.47; tertile 2: β-coefficient = 0.65 ± 0.35; tertile 3: β-coefficient = 1.03 ± 0.46; P < 0.05 tertiles 3 and 2 vs. 1). The partial correlation coefficients for relationships between urinary Na(+)/K(+) and 24-hour (partial r = 0.19; P < 0.02), day (partial r = 0.17; P < 0.05), and night (partial r = 0.18; P < 0.02) diastolic BP in participants with log HOMA-IR greater than or equal to the median were greater than those for relationships between urinary Na(+)/K(+) and 24-hour (partial r = -0.08; P = 0.29), day (partial r = -0.10; P < 0.22), and night (partial r = -0.06; P = 0.40) diastolic BP in participants with log HOMA-IR less than the median (comparisons of r values: P < 0.05). Insulin resistance may modify the relationship between salt intake, indexed by urinary Na(+)/K(+), and ambulatory BP in groups of African descent.

Partial liquid ventilation reduces fluid filtration of isolated rabbit lungs with acute hydrochloric acid-induced edema.

PubMed

Loer, S A; Tarnow, J

2001-06-01

Hydrochloric acid aspiration increases pulmonary microvascular permeability. The authors tested the hypothesis that partial liquid ventilation has a beneficial effect on filtration coefficients in acute acid-induced lung injury. Isolated blood-perfused rabbit lungs were assigned randomly to one of four groups. Group 1 (n = 6) served as a control group without edema. In group 2 (n = 6), group 3 (n = 6), and group 4 (n = 6), pulmonary edema was induced by intratracheal instillation of hydrochloric acid (0.1 N, 2 ml/kg body weight). Filtration coefficients were determined 30 min after this injury (by measuring loss of perfusate after increase of left atrial pressure). Group 2 lungs were gas ventilated, and group 3 lungs received partial liquid ventilation (15 ml perfluorocarbon/kg body weight). In group 4 lungs, the authors studied the immediate effects of bronchial perfluorocarbon instillation on ongoing filtration. Intratracheal instillation of hydrochloric acid markedly increased filtration coefficients when compared with non-injured control lungs (2.3 +/- 0.7 vs. 0.31 +/- 0.08 ml.min(-1). mmHg(-1).100 g(-1) wet lung weight, P < 0.01). Partial liquid ventilation reduced filtration coefficients of the injured lungs (to 0.9 +/- 0.3 ml.min(-1).mmHg(-1).100 g(-1) wet lung weight, P = 0.022). Neither pulmonary artery nor capillary pressures (determined by simultaneous occlusion of inflow and outflow of the pulmonary circulation) were changed by hydrochloric acid instillation or by partial liquid ventilation. During ongoing filtration, bronchial perfluorocarbon instillation (5 ml/kg body weight) immediately reduced the amount of filtered fluid by approximately 50% (P = 0.027). In the acute phase after acid injury, partial liquid ventilation reduced pathologic fluid filtration. This effect started immediately after bronchial perfluorocarbon instillation and was not associated with changes in mean pulmonary artery, capillary, or airway pressures. The authors suggest that in the early phase of acid injury, reduction of fluid filtration contributes to the beneficial effects of partial liquid ventilation on gas exchange and lung mechanics.

Innovating patient care delivery: DSRIP's interrupted time series analysis paradigm.

PubMed

Shenoy, Amrita G; Begley, Charles E; Revere, Lee; Linder, Stephen H; Daiger, Stephen P

2017-12-08

Adoption of Medicaid Section 1115 waiver is one of the many ways of innovating healthcare delivery system. The Delivery System Reform Incentive Payment (DSRIP) pool, one of the two funding pools of the waiver has four categories viz. infrastructure development, program innovation and redesign, quality improvement reporting and lastly, bringing about population health improvement. A metric of the fourth category, preventable hospitalization (PH) rate was analyzed in the context of eight conditions for two time periods, pre-reporting years (2010-2012) and post-reporting years (2013-2015) for two hospital cohorts, DSRIP participating and non-participating hospitals. The study explains how DSRIP impacted Preventable Hospitalization (PH) rates of eight conditions for both hospital cohorts within two time periods. Eight PH rates were regressed as the dependent variable with time, intervention and post-DSRIP Intervention as independent variables. PH rates of eight conditions were then consolidated into one rate for regressing with the above independent variables to evaluate overall impact of DSRIP. An interrupted time series regression was performed after accounting for auto-correlation, stationarity and seasonality in the dataset. In the individual regression model, PH rates showed statistically significant coefficients for seven out of eight conditions in DSRIP participating hospitals. In the combined regression model, the coefficient of the PH rate showed a statistically significant decrease with negative p-values for regression coefficients in DSRIP participating hospitals compared to positive/increased p-values for regression coefficients in DSRIP non-participating hospitals. Several macro- and micro-level factors may have likely contributed DSRIP hospitals outperforming DSRIP non-participating hospitals. Healthcare organization/provider collaboration, support from healthcare professionals, DSRIP's design, state reimbursement and coordination in care delivery methods may have led to likely success of DSRIP. IV, a retrospective cohort study based on longitudinal data. Copyright © 2017 Elsevier Inc. All rights reserved.

Partial molar volumes and viscosities of aqueous hippuric acid solutions containing LiCl and MnCl2 · 4H2O at 303.15 K

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Tawde, P. D.; Zinjade, A. B.; Shaikh, A. I.

2015-09-01

Density (ρ) and viscosity (η) of aqueous hippuric acid (HA) solutions containing LiCl and MnCl2 · 4H2O have been studied at 303.15 K in order to understand volumetric and viscometric behavior of these systems. Apparent molar volume (φv) of salts were calculated from density data and fitted to Massons relation and partial molar volumes (φ{v/0}) at infinite dilution were determined. Relative viscosity data has been used to determine viscosity A and B coefficients using Jones-Dole relation. Partial molar volume and viscosity coefficients have been discussed in terms of ion-solvent interactions and overall structural fittings in solution.

Partial volume correction of brain perfusion estimates using the inherent signal data of time-resolved arterial spin labeling.

PubMed

Ahlgren, André; Wirestam, Ronnie; Petersen, Esben Thade; Ståhlberg, Freddy; Knutsson, Linda

2014-09-01

Quantitative perfusion MRI based on arterial spin labeling (ASL) is hampered by partial volume effects (PVEs), arising due to voxel signal cross-contamination between different compartments. To address this issue, several partial volume correction (PVC) methods have been presented. Most previous methods rely on segmentation of a high-resolution T1 -weighted morphological image volume that is coregistered to the low-resolution ASL data, making the result sensitive to errors in the segmentation and coregistration. In this work, we present a methodology for partial volume estimation and correction, using only low-resolution ASL data acquired with the QUASAR sequence. The methodology consists of a T1 -based segmentation method, with no spatial priors, and a modified PVC method based on linear regression. The presented approach thus avoids prior assumptions about the spatial distribution of brain compartments, while also avoiding coregistration between different image volumes. Simulations based on a digital phantom as well as in vivo measurements in 10 volunteers were used to assess the performance of the proposed segmentation approach. The simulation results indicated that QUASAR data can be used for robust partial volume estimation, and this was confirmed by the in vivo experiments. The proposed PVC method yielded probable perfusion maps, comparable to a reference method based on segmentation of a high-resolution morphological scan. Corrected gray matter (GM) perfusion was 47% higher than uncorrected values, suggesting a significant amount of PVEs in the data. Whereas the reference method failed to completely eliminate the dependence of perfusion estimates on the volume fraction, the novel approach produced GM perfusion values independent of GM volume fraction. The intra-subject coefficient of variation of corrected perfusion values was lowest for the proposed PVC method. As shown in this work, low-resolution partial volume estimation in connection with ASL perfusion estimation is feasible, and provides a promising tool for decoupling perfusion and tissue volume. Copyright © 2014 John Wiley & Sons, Ltd.

Cellulose microfibril orientation of Picea abies and its variability at the micron-level determined by Raman imaging

PubMed Central

Gierlinger, Notburga; Luss, Saskia; König, Christian; Konnerth, Johannes; Eder, Michaela; Fratzl, Peter

2010-01-01

The functional characteristics of plant cell walls depend on the composition of the cell wall polymers, as well as on their highly ordered architecture at scales from a few nanometres to several microns. Raman spectra of wood acquired with linear polarized laser light include information about polymer composition as well as the alignment of cellulose microfibrils with respect to the fibre axis (microfibril angle). By changing the laser polarization direction in 3° steps, the dependency between cellulose and laser orientation direction was investigated. Orientation-dependent changes of band height ratios and spectra were described by quadratic linear regression and partial least square regressions, respectively. Using the models and regressions with high coefficients of determination (R2 > 0.99) microfibril orientation was predicted in the S1 and S2 layers distinguished by the Raman imaging approach in cross-sections of spruce normal, opposite, and compression wood. The determined microfibril angle (MFA) in the different S2 layers ranged from 0° to 49.9° and was in coincidence with X-ray diffraction determination. With the prerequisite of geometric sample and laser alignment, exact MFA prediction can complete the picture of the chemical cell wall design gained by the Raman imaging approach at the micron level in all plant tissues. PMID:20007198

Application of near-infrared spectroscopy for the rapid quality assessment of Radix Paeoniae Rubra

NASA Astrophysics Data System (ADS)

Zhan, Hao; Fang, Jing; Tang, Liying; Yang, Hongjun; Li, Hua; Wang, Zhuju; Yang, Bin; Wu, Hongwei; Fu, Meihong

2017-08-01

Near-infrared (NIR) spectroscopy with multivariate analysis was used to quantify gallic acid, catechin, albiflorin, and paeoniflorin in Radix Paeoniae Rubra, and the feasibility to classify the samples originating from different areas was investigated. A new high-performance liquid chromatography method was developed and validated to analyze gallic acid, catechin, albiflorin, and paeoniflorin in Radix Paeoniae Rubra as the reference. Partial least squares (PLS), principal component regression (PCR), and stepwise multivariate linear regression (SMLR) were performed to calibrate the regression model. Different data pretreatments such as derivatives (1st and 2nd), multiplicative scatter correction, standard normal variate, Savitzky-Golay filter, and Norris derivative filter were applied to remove the systematic errors. The performance of the model was evaluated according to the root mean square of calibration (RMSEC), root mean square error of prediction (RMSEP), root mean square error of cross-validation (RMSECV), and correlation coefficient (r). The results show that compared to PCR and SMLR, PLS had a lower RMSEC, RMSECV, and RMSEP and higher r for all the four analytes. PLS coupled with proper pretreatments showed good performance in both the fitting and predicting results. Furthermore, the original areas of Radix Paeoniae Rubra samples were partly distinguished by principal component analysis. This study shows that NIR with PLS is a reliable, inexpensive, and rapid tool for the quality assessment of Radix Paeoniae Rubra.

Using partial least squares regression as a predictive tool in describing equine third metacarpal bone shape.

PubMed

Liley, Helen; Zhang, Ju; Firth, Elwyn; Fernandez, Justin; Besier, Thor

2017-11-01

Population variance in bone shape is an important consideration when applying the results of subject-specific computational models to a population. In this letter, we demonstrate the ability of partial least squares regression to provide an improved shape prediction of the equine third metacarpal epiphysis, using two easily obtained measurements.

Comparison between light scattering and gravimetric samplers for PM10 mass concentration in poultry and pig houses

NASA Astrophysics Data System (ADS)

Cambra-López, María; Winkel, Albert; Mosquera, Julio; Ogink, Nico W. M.; Aarnink, André J. A.

2015-06-01

The objective of this study was to compare co-located real-time light scattering devices and equivalent gravimetric samplers in poultry and pig houses for PM10 mass concentration, and to develop animal-specific calibration factors for light scattering samplers. These results will contribute to evaluate the comparability of different sampling instruments for PM10 concentrations. Paired DustTrak light scattering device (DustTrak aerosol monitor, TSI, U.S.) and PM10 gravimetric cyclone sampler were used for measuring PM10 mass concentrations during 24 h periods (from noon to noon) inside animal houses. Sampling was conducted in 32 animal houses in the Netherlands, including broilers, broiler breeders, layers in floor and in aviary system, turkeys, piglets, growing-finishing pigs in traditional and low emission housing with dry and liquid feed, and sows in individual and group housing. A total of 119 pairs of 24 h measurements (55 for poultry and 64 for pigs) were recorded and analyzed using linear regression analysis. Deviations between samplers were calculated and discussed. In poultry, cyclone sampler and DustTrak data fitted well to a linear regression, with a regression coefficient equal to 0.41, an intercept of 0.16 mg m-3 and a correlation coefficient of 0.91 (excluding turkeys). Results in turkeys showed a regression coefficient equal to 1.1 (P = 0.49), an intercept of 0.06 mg m-3 (P < 0.0001) and a correlation coefficient of 0.98. In pigs, we found a regression coefficient equal to 0.61, an intercept of 0.05 mg m-3 and a correlation coefficient of 0.84. Measured PM10 concentrations using DustTraks were clearly underestimated (approx. by a factor 2) in both poultry and pig housing systems compared with cyclone pre-separators. Absolute, relative, and random deviations increased with concentration. DustTrak light scattering devices should be self-calibrated to investigate PM10 mass concentrations accurately in animal houses. We recommend linear regression equations as animal-specific calibration factors for DustTraks instead of manufacturer calibration factors, especially in heavily dusty environments such as animal houses.

Poor methodological quality and reporting standards of systematic reviews in burn care management.

PubMed

Wasiak, Jason; Tyack, Zephanie; Ware, Robert; Goodwin, Nicholas; Faggion, Clovis M

2017-10-01

The methodological and reporting quality of burn-specific systematic reviews has not been established. The aim of this study was to evaluate the methodological quality of systematic reviews in burn care management. Computerised searches were performed in Ovid MEDLINE, Ovid EMBASE and The Cochrane Library through to February 2016 for systematic reviews relevant to burn care using medical subject and free-text terms such as 'burn', 'systematic review' or 'meta-analysis'. Additional studies were identified by hand-searching five discipline-specific journals. Two authors independently screened papers, extracted and evaluated methodological quality using the 11-item A Measurement Tool to Assess Systematic Reviews (AMSTAR) tool and reporting quality using the 27-item Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) checklist. Characteristics of systematic reviews associated with methodological and reporting quality were identified. Descriptive statistics and linear regression identified features associated with improved methodological quality. A total of 60 systematic reviews met the inclusion criteria. Six of the 11 AMSTAR items reporting on 'a priori' design, duplicate study selection, grey literature, included/excluded studies, publication bias and conflict of interest were reported in less than 50% of the systematic reviews. Of the 27 items listed for PRISMA, 13 items reporting on introduction, methods, results and the discussion were addressed in less than 50% of systematic reviews. Multivariable analyses showed that systematic reviews associated with higher methodological or reporting quality incorporated a meta-analysis (AMSTAR regression coefficient 2.1; 95% CI: 1.1, 3.1; PRISMA regression coefficient 6·3; 95% CI: 3·8, 8·7) were published in the Cochrane library (AMSTAR regression coefficient 2·9; 95% CI: 1·6, 4·2; PRISMA regression coefficient 6·1; 95% CI: 3·1, 9·2) and included a randomised control trial (AMSTAR regression coefficient 1·4; 95%CI: 0·4, 2·4; PRISMA regression coefficient 3·4; 95% CI: 0·9, 5·8). The methodological and reporting quality of systematic reviews in burn care requires further improvement with stricter adherence by authors to the PRISMA checklist and AMSTAR tool. © 2016 Medicalhelplines.com Inc and John Wiley & Sons Ltd.

Solid harmonic wavelet scattering for predictions of molecule properties

NASA Astrophysics Data System (ADS)

Eickenberg, Michael; Exarchakis, Georgios; Hirn, Matthew; Mallat, Stéphane; Thiry, Louis

2018-06-01

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory (DFT). Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which we compute invariant "solid harmonic scattering coefficients" that account for different types of interactions at different scales. Multilinear regressions of various physical properties of molecules are computed from these invariant coefficients. Numerical experiments show that these regressions have near state-of-the-art performance, even with relatively few training examples. Predictions over small sets of scattering coefficients can reach a DFT precision while being interpretable.

[Optimization of lime milk precipitation process of Lonicera Japonica aqueous extract based on quality by design concept].

PubMed

Shen, Jin-Jing; Gong, Xing-Chu; Pan, Jian-Yang; Qu, Hai-Bin

2017-03-01

Design space approach was applied in this study to optimize the lime milk precipitation process of Lonicera Japonica (Jinyinhua) aqueous extract. The evaluation indices for this process were total organic acid purity and amounts of 6 organic acids obtained from per unit mass of medicinal materials. Four critical process parameters (CPPs) including drop speed of lime milk, pH value after adding lime milk, settling time and settling temperature were identified by using the weighted standardized partial regression coefficient method. Quantitative models between process evaluation indices and CPPs were established by a stepwise regression analysis. A design space was calculated by a Monte-Carlo simulation method, and then verified. The verification test results showed that the operation within the design space can guarantee the stability of the lime milk precipitation process. The recommended normal operation space is as follows： drop speed of lime milk of 1.00-1.25 mL•min⁻¹, pH value of 11.5-11.7, settling time of 1.0-1.2 h, and settling temperature of 10-20 ℃.. Copyright© by the Chinese Pharmaceutical Association.

Feasibility of using a miniature NIR spectrometer to measure volumic mass during alcoholic fermentation.

PubMed

Fernández-Novales, Juan; López, María-Isabel; González-Caballero, Virginia; Ramírez, Pilar; Sánchez, María-Teresa

2011-06-01

Volumic mass-a key component of must quality control tests during alcoholic fermentation-is of great interest to the winemaking industry. Transmitance near-infrared (NIR) spectra of 124 must samples over the range of 200-1,100-nm were obtained using a miniature spectrometer. The performance of this instrument to predict volumic mass was evaluated using partial least squares (PLS) regression and multiple linear regression (MLR). The validation statistics coefficient of determination (r(2)) and the standard error of prediction (SEP) were r(2) = 0.98, n = 31 and r(2) = 0.96, n = 31, and SEP = 5.85 and 7.49 g/dm(3) for PLS and MLR equations developed to fit reference data for volumic mass and spectral data. Comparison of results from MLR and PLS demonstrates that a MLR model with six significant wavelengths (P < 0.05) fit volumic mass data to transmittance (1/T) data slightly worse than a more sophisticated PLS model using the full scanning range. The results suggest that NIR spectroscopy is a suitable technique for predicting volumic mass during alcoholic fermentation, and that a low-cost NIR instrument can be used for this purpose.

Noncontact analysis of the fiber weight per unit area in prepreg by near-infrared spectroscopy.

PubMed

Jiang, B; Huang, Y D

2008-05-26

The fiber weight per unit area in prepreg is an important factor to ensure the quality of the composite products. Near-infrared spectroscopy (NIRS) technology together with a noncontact reflectance sources has been applied for quality analysis of the fiber weight per unit area. The range of the unit area fiber weight was 13.39-14.14mgcm(-2). The regression method was employed by partial least squares (PLS) and principal components regression (PCR). The calibration model was developed by 55 samples to determine the fiber weight per unit area in prepreg. The determination coefficient (R(2)), root mean square error of calibration (RMSEC) and root mean square error of prediction (RMSEP) were 0.82, 0.092, 0.099, respectively. The predicted values of the fiber weight per unit area in prepreg measured by NIRS technology were comparable to the values obtained by the reference method. For this technology, the noncontact reflectance sources focused directly on the sample with neither previous treatment nor manipulation. The results of the paired t-test revealed that there was no significant difference between the NIR method and the reference method. Besides, the prepreg could be analyzed one time within 20s without sample destruction.

Detrended partial cross-correlation analysis of two nonstationary time series influenced by common external forces

NASA Astrophysics Data System (ADS)

Qian, Xi-Yuan; Liu, Ya-Min; Jiang, Zhi-Qiang; Podobnik, Boris; Zhou, Wei-Xing; Stanley, H. Eugene

2015-06-01

When common factors strongly influence two power-law cross-correlated time series recorded in complex natural or social systems, using detrended cross-correlation analysis (DCCA) without considering these common factors will bias the results. We use detrended partial cross-correlation analysis (DPXA) to uncover the intrinsic power-law cross correlations between two simultaneously recorded time series in the presence of nonstationarity after removing the effects of other time series acting as common forces. The DPXA method is a generalization of the detrended cross-correlation analysis that takes into account partial correlation analysis. We demonstrate the method by using bivariate fractional Brownian motions contaminated with a fractional Brownian motion. We find that the DPXA is able to recover the analytical cross Hurst indices, and thus the multiscale DPXA coefficients are a viable alternative to the conventional cross-correlation coefficient. We demonstrate the advantage of the DPXA coefficients over the DCCA coefficients by analyzing contaminated bivariate fractional Brownian motions. We calculate the DPXA coefficients and use them to extract the intrinsic cross correlation between crude oil and gold futures by taking into consideration the impact of the U.S. dollar index. We develop the multifractal DPXA (MF-DPXA) method in order to generalize the DPXA method and investigate multifractal time series. We analyze multifractal binomial measures masked with strong white noises and find that the MF-DPXA method quantifies the hidden multifractal nature while the multifractal DCCA method fails.

Continuous water-quality monitoring and regression analysis to estimate constituent concentrations and loads in the Red River of the North at Fargo and Grand Forks, North Dakota, 2003-12

USGS Publications Warehouse

Galloway, Joel M.

2014-01-01

The Red River of the North (hereafter referred to as “Red River”) Basin is an important hydrologic region where water is a valuable resource for the region’s economy. Continuous water-quality monitors have been operated by the U.S. Geological Survey, in cooperation with the North Dakota Department of Health, Minnesota Pollution Control Agency, City of Fargo, City of Moorhead, City of Grand Forks, and City of East Grand Forks at the Red River at Fargo, North Dakota, from 2003 through 2012 and at Grand Forks, N.Dak., from 2007 through 2012. The purpose of the monitoring was to provide a better understanding of the water-quality dynamics of the Red River and provide a way to track changes in water quality. Regression equations were developed that can be used to estimate concentrations and loads for dissolved solids, sulfate, chloride, nitrate plus nitrite, total phosphorus, and suspended sediment using explanatory variables such as streamflow, specific conductance, and turbidity. Specific conductance was determined to be a significant explanatory variable for estimating dissolved solids concentrations at the Red River at Fargo and Grand Forks. The regression equations provided good relations between dissolved solid concentrations and specific conductance for the Red River at Fargo and at Grand Forks, with adjusted coefficients of determination of 0.99 and 0.98, respectively. Specific conductance, log-transformed streamflow, and a seasonal component were statistically significant explanatory variables for estimating sulfate in the Red River at Fargo and Grand Forks. Regression equations provided good relations between sulfate concentrations and the explanatory variables, with adjusted coefficients of determination of 0.94 and 0.89, respectively. For the Red River at Fargo and Grand Forks, specific conductance, streamflow, and a seasonal component were statistically significant explanatory variables for estimating chloride. For the Red River at Grand Forks, a time component also was a statistically significant explanatory variable for estimating chloride. The regression equations for chloride at the Red River at Fargo provided a fair relation between chloride concentrations and the explanatory variables, with an adjusted coefficient of determination of 0.66 and the equation for the Red River at Grand Forks provided a relatively good relation between chloride concentrations and the explanatory variables, with an adjusted coefficient of determination of 0.77. Turbidity and streamflow were statistically significant explanatory variables for estimating nitrate plus nitrite concentrations at the Red River at Fargo and turbidity was the only statistically significant explanatory variable for estimating nitrate plus nitrite concentrations at Grand Forks. The regression equation for the Red River at Fargo provided a relatively poor relation between nitrate plus nitrite concentrations, turbidity, and streamflow, with an adjusted coefficient of determination of 0.46. The regression equation for the Red River at Grand Forks provided a fair relation between nitrate plus nitrite concentrations and turbidity, with an adjusted coefficient of determination of 0.73. Some of the variability that was not explained by the equations might be attributed to different sources contributing nitrates to the stream at different times. Turbidity, streamflow, and a seasonal component were statistically significant explanatory variables for estimating total phosphorus at the Red River at Fargo and Grand Forks. The regression equation for the Red River at Fargo provided a relatively fair relation between total phosphorus concentrations, turbidity, streamflow, and season, with an adjusted coefficient of determination of 0.74. The regression equation for the Red River at Grand Forks provided a good relation between total phosphorus concentrations, turbidity, streamflow, and season, with an adjusted coefficient of determination of 0.87. For the Red River at Fargo, turbidity and streamflow were statistically significant explanatory variables for estimating suspended-sediment concentrations. For the Red River at Grand Forks, turbidity was the only statistically significant explanatory variable for estimating suspended-sediment concentration. The regression equation at the Red River at Fargo provided a good relation between suspended-sediment concentration, turbidity, and streamflow, with an adjusted coefficient of determination of 0.95. The regression equation for the Red River at Grand Forks provided a good relation between suspended-sediment concentration and turbidity, with an adjusted coefficient of determination of 0.96.

Reduction of shading-derived artifacts in skin chromophore imaging without measurements or assumptions about the shape of the subject

NASA Astrophysics Data System (ADS)

Yoshida, Kenichiro; Nishidate, Izumi; Ojima, Nobutoshi; Iwata, Kayoko

2014-01-01

To quantitatively evaluate skin chromophores over a wide region of curved skin surface, we propose an approach that suppresses the effect of the shading-derived error in the reflectance on the estimation of chromophore concentrations, without sacrificing the accuracy of that estimation. In our method, we use multiple regression analysis, assuming the absorbance spectrum as the response variable and the extinction coefficients of melanin, oxygenated hemoglobin, and deoxygenated hemoglobin as the predictor variables. The concentrations of melanin and total hemoglobin are determined from the multiple regression coefficients using compensation formulae (CF) based on the diffuse reflectance spectra derived from a Monte Carlo simulation. To suppress the shading-derived error, we investigated three different combinations of multiple regression coefficients for the CF. In vivo measurements with the forearm skin demonstrated that the proposed approach can reduce the estimation errors that are due to shading-derived errors in the reflectance. With the best combination of multiple regression coefficients, we estimated that the ratio of the error to the chromophore concentrations is about 10%. The proposed method does not require any measurements or assumptions about the shape of the subjects; this is an advantage over other studies related to the reduction of shading-derived errors.

Correlation and simple linear regression.

PubMed

Zou, Kelly H; Tuncali, Kemal; Silverman, Stuart G

2003-06-01

In this tutorial article, the concepts of correlation and regression are reviewed and demonstrated. The authors review and compare two correlation coefficients, the Pearson correlation coefficient and the Spearman rho, for measuring linear and nonlinear relationships between two continuous variables. In the case of measuring the linear relationship between a predictor and an outcome variable, simple linear regression analysis is conducted. These statistical concepts are illustrated by using a data set from published literature to assess a computed tomography-guided interventional technique. These statistical methods are important for exploring the relationships between variables and can be applied to many radiologic studies.

The Multivariate Regression Statistics Strategy to Investigate Content-Effect Correlation of Multiple Components in Traditional Chinese Medicine Based on a Partial Least Squares Method.

PubMed

Peng, Ying; Li, Su-Ning; Pei, Xuexue; Hao, Kun

2018-03-01

Amultivariate regression statisticstrategy was developed to clarify multi-components content-effect correlation ofpanaxginseng saponins extract and predict the pharmacological effect by components content. In example 1, firstly, we compared pharmacological effects between panax ginseng saponins extract and individual saponin combinations. Secondly, we examined the anti-platelet aggregation effect in seven different saponin combinations of ginsenoside Rb1, Rg1, Rh, Rd, Ra3 and notoginsenoside R1. Finally, the correlation between anti-platelet aggregation and the content of multiple components was analyzed by a partial least squares algorithm. In example 2, firstly, 18 common peaks were identified in ten different batches of panax ginseng saponins extracts from different origins. Then, we investigated the anti-myocardial ischemia reperfusion injury effects of the ten different panax ginseng saponins extracts. Finally, the correlation between the fingerprints and the cardioprotective effects was analyzed by a partial least squares algorithm. Both in example 1 and 2, the relationship between the components content and pharmacological effect was modeled well by the partial least squares regression equations. Importantly, the predicted effect curve was close to the observed data of dot marked on the partial least squares regression model. This study has given evidences that themulti-component content is a promising information for predicting the pharmacological effects of traditional Chinese medicine.

Simulation program for estimating statistical power of Cox's proportional hazards model assuming no specific distribution for the survival time.

PubMed

Akazawa, K; Nakamura, T; Moriguchi, S; Shimada, M; Nose, Y

1991-07-01

Small sample properties of the maximum partial likelihood estimates for Cox's proportional hazards model depend on the sample size, the true values of regression coefficients, covariate structure, censoring pattern and possibly baseline hazard functions. Therefore, it would be difficult to construct a formula or table to calculate the exact power of a statistical test for the treatment effect in any specific clinical trial. The simulation program, written in SAS/IML, described in this paper uses Monte-Carlo methods to provide estimates of the exact power for Cox's proportional hazards model. For illustrative purposes, the program was applied to real data obtained from a clinical trial performed in Japan. Since the program does not assume any specific function for the baseline hazard, it is, in principle, applicable to any censored survival data as long as they follow Cox's proportional hazards model.

NIR technology for on-line determination of superficial a(w) and moisture content during the drying process of fermented sausages.

PubMed

Collell, Carles; Gou, Pere; Arnau, Jacint; Muñoz, Israel; Comaposada, Josep

2012-12-01

Three different NIR equipment were evaluated based on their ability to predict superficial water activity (a(w)) and moisture content in two types of fermented sausages (with and without moulds on surface), using partial least squares (PLS) regression models. The instruments differed mainly in wavelength range, resolution and measurement configuration. The most accurate equipment was used in a new experiment to achieve robust models in sausages with different salt contents and submitted to different drying conditions. The models developed showed determination coefficients (R(2)(P)) values of 0.990, 0.910 and 0.984, and RMSEP values of 1.560%, 0.220% and 0.007% for moisture, salt and a(w) respectively. It was demonstrated that NIR spectroscopy could be a suitable non-destructive method for on-line monitoring and control of the drying process in fermented sausages. Copyright © 2012 Elsevier Ltd. All rights reserved.

Body mass index, waist circumference, and arterial hypertension in students.

PubMed

Guilherme, Flávio Ricardo; Molena-Fernandes, Carlos Alexandre; Guilherme, Vânia Renata; Fávero, Maria Teresa Martins; dos Reis, Eliane Josefa Barbosa; Rinaldi, Wilson

2015-01-01

to investigate what is the best anthropometric predictor of arterial hypertension among private school students. this was a cross-sectional study with 286 students between the ages of 10 and 14 from two private schools in the city of Paranavaí, Paraná, Brazil. The following variables were analyzed: body mass index, waist circumference and blood pressure. Statistical analysis was conducted with Pearson's partial correlation test and multivariate logistic regression, with p<0.05. both anthropometric indicators displayed weak correlation with systolic and diastolic levels, with coefficients (r) ranging from 0.27 to 0.36 (p < 0.001). Multivariate analysis showed that the only anthropometric indicator associated with arterial hypertension was waist circumference (OR= 2.3; 95% CI: 1.1-4.5), regardless of age or gender. this age group, waist circumference appeared to be a better predictor for arterial hypertension than body mass index.

Determination of butter adulteration with margarine using Raman spectroscopy.

PubMed

Uysal, Reyhan Selin; Boyaci, Ismail Hakki; Genis, Hüseyin Efe; Tamer, Ugur

2013-12-15

In this study, adulteration of butter with margarine was analysed using Raman spectroscopy combined with chemometric methods (principal component analysis (PCA), principal component regression (PCR), partial least squares (PLS)) and artificial neural networks (ANNs). Different butter and margarine samples were mixed at various concentrations ranging from 0% to 100% w/w. PCA analysis was applied for the classification of butters, margarines and mixtures. PCR, PLS and ANN were used for the detection of adulteration ratios of butter. Models were created using a calibration data set and developed models were evaluated using a validation data set. The coefficient of determination (R(2)) values between actual and predicted values obtained for PCR, PLS and ANN for the validation data set were 0.968, 0.987 and 0.978, respectively. In conclusion, a combination of Raman spectroscopy with chemometrics and ANN methods can be applied for testing butter adulteration. Copyright © 2013 Elsevier Ltd. All rights reserved.

In-line monitoring of the coffee roasting process with near infrared spectroscopy: Measurement of sucrose and colour.

PubMed

Santos, João Rodrigo; Viegas, Olga; Páscoa, Ricardo N M J; Ferreira, Isabel M P L V O; Rangel, António O S S; Lopes, João Almeida

2016-10-01

In this work, a real-time and in-situ analytical tool based on near infrared spectroscopy is proposed to predict two of the most relevant coffee parameters during the roasting process, sucrose and colour. The methodology was developed taking in consideration different coffee varieties (Arabica and Robusta), coffee origins (Brazil, East-Timor, India and Uganda) and roasting process procedures (slow and fast). All near infrared spectroscopy-based calibrations were developed resorting to partial least squares regression. The results proved the suitability of this methodology as demonstrated by range-error-ratio and coefficient of determination higher than 10 and 0.85 respectively, for all modelled parameters. The relationship between sucrose and colour development during the roasting process is further discussed, in light of designing in real-time coffee products with similar visual appearance and distinct organoleptic profile. Copyright © 2016 Elsevier Ltd. All rights reserved.

Exact Analysis of Squared Cross-Validity Coefficient in Predictive Regression Models

ERIC Educational Resources Information Center

Shieh, Gwowen

2009-01-01

In regression analysis, the notion of population validity is of theoretical interest for describing the usefulness of the underlying regression model, whereas the presumably more important concept of population cross-validity represents the predictive effectiveness for the regression equation in future research. It appears that the inference…

Comparing spatially varying coefficient models: a case study examining violent crime rates and their relationships to alcohol outlets and illegal drug arrests

NASA Astrophysics Data System (ADS)

Wheeler, David C.; Waller, Lance A.

2009-03-01

In this paper, we compare and contrast a Bayesian spatially varying coefficient process (SVCP) model with a geographically weighted regression (GWR) model for the estimation of the potentially spatially varying regression effects of alcohol outlets and illegal drug activity on violent crime in Houston, Texas. In addition, we focus on the inherent coefficient shrinkage properties of the Bayesian SVCP model as a way to address increased coefficient variance that follows from collinearity in GWR models. We outline the advantages of the Bayesian model in terms of reducing inflated coefficient variance, enhanced model flexibility, and more formal measuring of model uncertainty for prediction. We find spatially varying effects for alcohol outlets and drug violations, but the amount of variation depends on the type of model used. For the Bayesian model, this variation is controllable through the amount of prior influence placed on the variance of the coefficients. For example, the spatial pattern of coefficients is similar for the GWR and Bayesian models when a relatively large prior variance is used in the Bayesian model.

Non-parametric directionality analysis - Extension for removal of a single common predictor and application to time series.

PubMed

Halliday, David M; Senik, Mohd Harizal; Stevenson, Carl W; Mason, Rob

2016-08-01

The ability to infer network structure from multivariate neuronal signals is central to computational neuroscience. Directed network analyses typically use parametric approaches based on auto-regressive (AR) models, where networks are constructed from estimates of AR model parameters. However, the validity of using low order AR models for neurophysiological signals has been questioned. A recent article introduced a non-parametric approach to estimate directionality in bivariate data, non-parametric approaches are free from concerns over model validity. We extend the non-parametric framework to include measures of directed conditional independence, using scalar measures that decompose the overall partial correlation coefficient summatively by direction, and a set of functions that decompose the partial coherence summatively by direction. A time domain partial correlation function allows both time and frequency views of the data to be constructed. The conditional independence estimates are conditioned on a single predictor. The framework is applied to simulated cortical neuron networks and mixtures of Gaussian time series data with known interactions. It is applied to experimental data consisting of local field potential recordings from bilateral hippocampus in anaesthetised rats. The framework offers a non-parametric approach to estimation of directed interactions in multivariate neuronal recordings, and increased flexibility in dealing with both spike train and time series data. The framework offers a novel alternative non-parametric approach to estimate directed interactions in multivariate neuronal recordings, and is applicable to spike train and time series data. Copyright © 2016 Elsevier B.V. All rights reserved.

Do climate variables and human density affect Achatina fulica (Bowditch) (Gastropoda: Pulmonata) shell length, total weight and condition factor?

PubMed

Albuquerque, F S; Peso-Aguiar, M C; Assunção-Albuquerque, M J T; Gálvez, L

2009-08-01

The length-weight relationship and condition factor have been broadly investigated in snails to obtain the index of physical condition of populations and evaluate habitat quality. Herein, our goal was to describe the best predictors that explain Achatina fulica biometrical parameters and well being in a recently introduced population. From November 2001 to November 2002, monthly snail samples were collected in Lauro de Freitas City, Bahia, Brazil. Shell length and total weight were measured in the laboratory and the potential curve and condition factor were calculated. Five environmental variables were considered: temperature range, mean temperature, humidity, precipitation and human density. Multiple regressions were used to generate models including multiple predictors, via model selection approach, and then ranked with AIC criteria. Partial regressions were used to obtain the separated coefficients of determination of climate and human density models. A total of 1.460 individuals were collected, presenting a shell length range between 4.8 to 102.5 mm (mean: 42.18 mm). The relationship between total length and total weight revealed that Achatina fulica presented a negative allometric growth. Simple regression indicated that humidity has a significant influence on A. fulica total length and weight. Temperature range was the main variable that influenced the condition factor. Multiple regressions showed that climatic and human variables explain a small proportion of the variance in shell length and total weight, but may explain up to 55.7% of the condition factor variance. Consequently, we believe that the well being and biometric parameters of A. fulica can be influenced by climatic and human density factors.

Relationship between self-esteem and living conditions among stroke survivors at home.

PubMed

Shida, Junko; Sugawara, Kyoko; Goto, Junko; Sekito, Yoshiko

2014-10-01

To clarify the relationship between self-esteem of stroke survivors at home and their living conditions. Study participants were stroke survivors who lived at home and commuted to one of two medical facilities in the Tohoku region of Japan. Stroke survivors were recruited for the present study when they came to the hospital for a routine visit. The researcher or research assistant explained the study objective and methods to the stroke survivor, and the questionnaire survey was conducted. Survey contents included the Japanese version of the Rosenberg Self-Esteem Scale (RSE) and questions designed to assess living conditions. A total of 65 participants with complete RSE data were included in the analysis. The mean (standard deviation) age of participants was 70.9 years (± 11.1), with a mean RSE score of 32.12 (± 8.32). Only a minor decrease in participant self-esteem was observed, even after having experienced a stroke. Factors associated with self-esteem, including "independent bathing" (standardized partial regression coefficient, β = 0.405, P < 0.001), "being needed by family members" (β = 0.389, P < 0.001), "independent grooming" (β = 0.292, P = 0.009), and "sleep satisfaction" (β = 0.237, P = 0.017), were analyzed by stepwise multiple regression analysis. The multiple correlation coefficient adjusted for the degrees of freedom was 0.738 (P < 0.001). Our analysis revealed that the maintenance of activities of daily living, and the presence of a suitable environment that enhances physical function recovery and promotes activity and participation, are necessary to improve self-esteem in stroke survivors living at home. © 2013 The Authors. Japan Journal of Nursing Science © 2013 Japan Academy of Nursing Science.

An efficient near infrared spectroscopy based on aquaphotomics technique for rapid determining the level of Cadmium in aqueous solution

NASA Astrophysics Data System (ADS)

Putra, Alfian; Vassileva, Maria; Santo, Ryoko; Tsenkova, Roumina

2017-06-01

Cadmium (Cd) is a common industrial pollutant with long biological half-life, which makes it as a cumulative toxicant. Near-infrared spectroscopy has been successfully used for quick and accurate assessment of Cd content in agricultural materials, but the development of a quick detection method for ground and drinking water samples is equal importance for pollution monitoring. Metals have no absorbance in the NIR spectral range, thus the methods developed so far have focused on detection of metal-organic complexes (move to intro). This study focuses on the use of Aquaphotomics technique to measure Cd in aqueous solutions by analyzing the changes in water spectra that occur due to water-metal interaction. Measurements were performed with Cd (II) in 0.1 M HNO3, in the 680-1090 nm (water second and third overtones) and 1110-1800 nm (water first overtone) spectral regions, and were subjected to partial least-square regression analysis. It was found/determined that A concentration of Cd from 1 mg L-1 to 10 mg L-1 could be predicted by this model with average prediction correlation coefficient of 0.897. The model was tested by perturbations with temperature and other metal presence in the solution. The regression coefficient showed consistent peaks at 728, 752, 770, 780, 1362, 1430,1444, 1472/1474 and 1484 nm under various perturbations, indicating that metal to influence the water spectra. The residual predictive deviation values (RPD) were greater than 2, indicating that the model is appropriate for practical use. The result suggested that this newly proposed approach is capable of detecting metal ion in a much simpler, rapid and reliable way.

Hyperspectral Imaging in Tandem with R Statistics and Image Processing for Detection and Visualization of pH in Japanese Big Sausages Under Different Storage Conditions.

PubMed

Feng, Chao-Hui; Makino, Yoshio; Yoshimura, Masatoshi; Thuyet, Dang Quoc; García-Martín, Juan Francisco

2018-02-01

The potential of hyperspectral imaging with wavelengths of 380 to 1000 nm was used to determine the pH of cooked sausages after different storage conditions (4 °C for 1 d, 35 °C for 1, 3, and 5 d). The mean spectra of the sausages were extracted from the hyperspectral images and partial least squares regression (PLSR) model was developed to relate spectral profiles with the pH of the cooked sausages. Eleven important wavelengths were selected based on the regression coefficient values. The PLSR model established using the optimal wavelengths showed good precision being the prediction coefficient of determination (R p 2 ) 0.909 and the root mean square error of prediction 0.035. The prediction map for illustrating pH indices in sausages was for the first time developed by R statistics. The overall results suggested that hyperspectral imaging combined with PLSR and R statistics are capable to quantify and visualize the sausages pH evolution under different storage conditions. In this paper, hyperspectral imaging is for the first time used to detect pH in cooked sausages using R statistics, which provides another useful information for the researchers who do not have the access to Matlab. Eleven optimal wavelengths were successfully selected, which were used for simplifying the PLSR model established based on the full wavelengths. This simplified model achieved a high R p 2 (0.909) and a low root mean square error of prediction (0.035), which can be useful for the design of multispectral imaging systems. © 2017 Institute of Food Technologists®.

Can Salivary Acetylcholinesterase be a Diagnostic Biomarker for Alzheimer?

PubMed

Bakhtiari, Sedigheh; Moghadam, Nahid Beladi; Ehsani, Marjan; Mortazavi, Hamed; Sabour, Siamak; Bakhshi, Mahin

2017-01-01

The loss of brain cholinergic activity is a key phenomenon in the biochemistry of Alzheimer's Disease (AD). Due to the specific biosynthesis of Acetylcholinesterase (AChE) of cholinergic neurons, the enzyme has been proposed as a potential biochemical marker of cholinergic activity. AChE is expressed not only in the Central Nervous System (CNS), Peripheral Nervous System (PNS) and muscles, but also on the surface of blood cells and saliva. This study aimed to measure salivary AChE activity in AD and to determine the feasibility of creating a simple laboratory test for diagnosing such patients. In this cross-sectional study, the recorded data were obtained from 15 Alzheimer's patients on memantine therapy and 15 healthy subjects. Unstimulated whole saliva samples were collected from the participants and salivary levels of AChE activity were determined by using the Ellman colorimetric method. The Mann Whitney U test was used to compare the average (median) of AChE activity between AD and controls. In order to adjust for possible confounding factors, partial correlation coefficient and multivariate linear regressions were used. Although the average of AChE activity in the saliva of people with AD was lower compared to the control group, we found no statistically significant differences using Mann Whitney U test (138 in control group vs. 175 in Alzheimer's patients, p value=0.25). Additionally, no significant differences were observed in the activity of this enzyme in both sexes or with increased age or duration of the disease. After adjusting for age and gender, there was no association between AChE activity and AD (regression coefficient β=0.08; p value= 0.67). Saliva AChE activity was not significantly associated with AD. This study might help in introduce a new diagnostic aid for AD or monitor patients with AD.

Analysis of dispersion and attenuation of surface waves in poroelastic media in the exploration-seismic frequency band

USGS Publications Warehouse

Zhang, Y.; Xu, Y.; Xia, J.

2011-01-01

We analyse dispersion and attenuation of surface waves at free surfaces of possible vacuum/poroelastic media: permeable-'open pore', impermeable-'closed pore' and partially permeable boundaries, which have not been previously reported in detail by researchers, under different surface-permeable, viscous-damping, elastic and fluid-flowing conditions. Our discussion is focused on their characteristics in the exploration-seismic frequency band (a few through 200 Hz) for near-surface applications. We find two surface-wave modes exist, R1 waves for all conditions, and R2 waves for closed-pore and partially permeable conditions. For R1 waves, velocities disperse most under partially permeable conditions and least under the open-pore condition. High-coupling damping coefficients move the main dispersion frequency range to high frequencies. There is an f1 frequency dependence as a constant-Q model for attenuation at high frequencies. R1 waves for the open pore are most sensitive to elastic modulus variation, but least sensitive to tortuosities variation. R1 waves for partially permeable surface radiate as non-physical waves (Im(k) < 0) at low frequencies. For R2 waves, velocities are slightly lower than the bulk slow P2 waves. At low frequencies, both velocity and attenuation are diffusive of f1/2 frequency dependence, as P2 waves. It is found that for partially permeable surfaces, the attenuation displays -f1 frequency dependence as frequency increasing. High surface permeability, low-coupling damping coefficients, low Poisson's ratios, and low tortuosities increase the slope of the -f1 dependence. When the attenuation coefficients reach 0, R2 waves for partially permeable surface begin to radiate as non-physical waves. ?? 2011 The Authors Geophysical Journal International ?? 2011 RAS.

Friction in a Moving Car

ERIC Educational Resources Information Center

Goldberg, Fred M.

1975-01-01

Describes an out-of-doors, partially unstructured experiment to determine the coefficient of friction for a moving car. Presents the equation which relates the coefficient of friction to initial velocity, distance, and time and gives sample computed values as a function of initial speed and tire pressure. (GS)

Harmonic regression of Landsat time series for modeling attributes from national forest inventory data

NASA Astrophysics Data System (ADS)

Wilson, Barry T.; Knight, Joseph F.; McRoberts, Ronald E.

2018-03-01

Imagery from the Landsat Program has been used frequently as a source of auxiliary data for modeling land cover, as well as a variety of attributes associated with tree cover. With ready access to all scenes in the archive since 2008 due to the USGS Landsat Data Policy, new approaches to deriving such auxiliary data from dense Landsat time series are required. Several methods have previously been developed for use with finer temporal resolution imagery (e.g. AVHRR and MODIS), including image compositing and harmonic regression using Fourier series. The manuscript presents a study, using Minnesota, USA during the years 2009-2013 as the study area and timeframe. The study examined the relative predictive power of land cover models, in particular those related to tree cover, using predictor variables based solely on composite imagery versus those using estimated harmonic regression coefficients. The study used two common non-parametric modeling approaches (i.e. k-nearest neighbors and random forests) for fitting classification and regression models of multiple attributes measured on USFS Forest Inventory and Analysis plots using all available Landsat imagery for the study area and timeframe. The estimated Fourier coefficients developed by harmonic regression of tasseled cap transformation time series data were shown to be correlated with land cover, including tree cover. Regression models using estimated Fourier coefficients as predictor variables showed a two- to threefold increase in explained variance for a small set of continuous response variables, relative to comparable models using monthly image composites. Similarly, the overall accuracies of classification models using the estimated Fourier coefficients were approximately 10-20 percentage points higher than the models using the image composites, with corresponding individual class accuracies between six and 45 percentage points higher.

An index of effluent aquatic toxicity designed by partial least squares regression, using acute and chronic tests and expert judgements.

PubMed

Vindimian, Éric; Garric, Jeanne; Flammarion, Patrick; Thybaud, Éric; Babut, Marc

1999-10-01

The evaluation of the ecotoxicity of effluents requires a battery of biological tests on several species. In order to derive a summary parameter from such a battery, a single endpoint was calculated for all the tests: the EC10, obtained by nonlinear regression, with bootstrap evaluation of the confidence intervals. Principal component analysis was used to characterize and visualize the correlation between the tests. The table of the toxicity of the effluents was then submitted to a panel of experts, who classified the effluents according to the test results. Partial least squares (PLS) regression was used to fit the average value of the experts' judgements to the toxicity data, using a simple equation. Furthermore, PLS regression on partial data sets and other considerations resulted in an optimum battery, with two chronic tests and one acute test. The index is intended to be used for the classification of effluents based on their toxicity to aquatic species. Copyright © 1999 SETAC.

An index of effluent aquatic toxicity designed by partial least squares regression, using acute and chronic tests and expert judgments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vindimian, E.; Garric, J.; Flammarion, P.

1999-10-01

The evaluation of the ecotoxicity of effluents requires a battery of biological tests on several species. In order to derive a summary parameter from such a battery, a single endpoint was calculated for all the tests: the EC10, obtained by nonlinear regression, with bootstrap evaluation of the confidence intervals. Principal component analysis was used to characterize and visualize the correlation between the tests. The table of the toxicity of the effluents was then submitted to a panel of experts, who classified the effluents according to the test results. Partial least squares (PLS) regression was used to fit the average valuemore » of the experts' judgments to the toxicity data, using a simple equation. Furthermore, PLS regression on partial data sets and other considerations resulted in an optimum battery, with two chronic tests and one acute test. The index is intended to be used for the classification of effluents based on their toxicity to aquatic species.« less

Robust Head-Pose Estimation Based on Partially-Latent Mixture of Linear Regressions.

PubMed

Drouard, Vincent; Horaud, Radu; Deleforge, Antoine; Ba, Sileye; Evangelidis, Georgios

2017-03-01

Head-pose estimation has many applications, such as social event analysis, human-robot and human-computer interaction, driving assistance, and so forth. Head-pose estimation is challenging, because it must cope with changing illumination conditions, variabilities in face orientation and in appearance, partial occlusions of facial landmarks, as well as bounding-box-to-face alignment errors. We propose to use a mixture of linear regressions with partially-latent output. This regression method learns to map high-dimensional feature vectors (extracted from bounding boxes of faces) onto the joint space of head-pose angles and bounding-box shifts, such that they are robustly predicted in the presence of unobservable phenomena. We describe in detail the mapping method that combines the merits of unsupervised manifold learning techniques and of mixtures of regressions. We validate our method with three publicly available data sets and we thoroughly benchmark four variants of the proposed algorithm with several state-of-the-art head-pose estimation methods.

SPSS and SAS programs for comparing Pearson correlations and OLS regression coefficients.

PubMed

Weaver, Bruce; Wuensch, Karl L

2013-09-01

Several procedures that use summary data to test hypotheses about Pearson correlations and ordinary least squares regression coefficients have been described in various books and articles. To our knowledge, however, no single resource describes all of the most common tests. Furthermore, many of these tests have not yet been implemented in popular statistical software packages such as SPSS and SAS. In this article, we describe all of the most common tests and provide SPSS and SAS programs to perform them. When they are applicable, our code also computes 100 × (1 - α)% confidence intervals corresponding to the tests. For testing hypotheses about independent regression coefficients, we demonstrate one method that uses summary data and another that uses raw data (i.e., Potthoff analysis). When the raw data are available, the latter method is preferred, because use of summary data entails some loss of precision due to rounding.

Quantitative Structure-Activity Relationship of Insecticidal Activity of Benzyl Ether Diamidine Derivatives

NASA Astrophysics Data System (ADS)

Zhai, Mengting; Chen, Yan; Li, Jing; Zhou, Jun

2017-12-01

The molecular electrongativity distance vector (MEDV-13) was used to describe the molecular structure of benzyl ether diamidine derivatives in this paper, Based on MEDV-13, The three-parameter (M 3, M 15, M 47) QSAR model of insecticidal activity (pIC 50) for 60 benzyl ether diamidine derivatives was constructed by leaps-and-bounds regression (LBR) . The traditional correlation coefficient (R) and the cross-validation correlation coefficient (R CV ) were 0.975 and 0.971, respectively. The robustness of the regression model was validated by Jackknife method, the correlation coefficient R were between 0.971 and 0.983. Meanwhile, the independent variables in the model were tested to be no autocorrelation. The regression results indicate that the model has good robust and predictive capabilities. The research would provide theoretical guidance for the development of new generation of anti African trypanosomiasis drugs with efficiency and low toxicity.

Prediction of aged red wine aroma properties from aroma chemical composition. Partial least squares regression models.

PubMed

Aznar, Margarita; López, Ricardo; Cacho, Juan; Ferreira, Vicente

2003-04-23

Partial least squares regression (PLSR) models able to predict some of the wine aroma nuances from its chemical composition have been developed. The aromatic sensory characteristics of 57 Spanish aged red wines were determined by 51 experts from the wine industry. The individual descriptions given by the experts were recorded, and the frequency with which a sensory term was used to define a given wine was taken as a measurement of its intensity. The aromatic chemical composition of the wines was determined by already published gas chromatography (GC)-flame ionization detector and GC-mass spectrometry methods. In the whole, 69 odorants were analyzed. Both matrixes, the sensory and chemical data, were simplified by grouping and rearranging correlated sensory terms or chemical compounds and by the exclusion of secondary aroma terms or of weak aroma chemicals. Finally, models were developed for 18 sensory terms and 27 chemicals or groups of chemicals. Satisfactory models, explaining more than 45% of the original variance, could be found for nine of the most important sensory terms (wood-vanillin-cinnamon, animal-leather-phenolic, toasted-coffee, old wood-reduction, vegetal-pepper, raisin-flowery, sweet-candy-cacao, fruity, and berry fruit). For this set of terms, the correlation coefficients between the measured and predicted Y (determined by cross-validation) ranged from 0.62 to 0.81. Models confirmed the existence of complex multivariate relationships between chemicals and odors. In general, pleasant descriptors were positively correlated to chemicals with pleasant aroma, such as vanillin, beta damascenone, or (E)-beta-methyl-gamma-octalactone, and negatively correlated to compounds showing less favorable odor properties, such as 4-ethyl and vinyl phenols, 3-(methylthio)-1-propanol, or phenylacetaldehyde.

Non-destructive and rapid prediction of moisture content in red pepper (Capsicum annuum L.) powder using near-infrared spectroscopy and a partial least squares regression model

USDA-ARS?s Scientific Manuscript database

Purpose: The aim of this study was to develop a technique for the non-destructive and rapid prediction of the moisture content in red pepper powder using near-infrared (NIR) spectroscopy and a partial least squares regression (PLSR) model. Methods: Three red pepper powder products were separated in...

Using multiple calibration sets to improve the quantitative accuracy of partial least squares (PLS) regression on open-path fourier transform infrared (OP/FT-IR) spectra of ammonia over wide concentration ranges

USDA-ARS?s Scientific Manuscript database

A technique of using multiple calibration sets in partial least squares regression (PLS) was proposed to improve the quantitative determination of ammonia from open-path Fourier transform infrared spectra. The spectra were measured near animal farms, and the path-integrated concentration of ammonia...

Testing a single regression coefficient in high dimensional linear models

PubMed Central

Zhong, Ping-Shou; Li, Runze; Wang, Hansheng; Tsai, Chih-Ling

2017-01-01

In linear regression models with high dimensional data, the classical z-test (or t-test) for testing the significance of each single regression coefficient is no longer applicable. This is mainly because the number of covariates exceeds the sample size. In this paper, we propose a simple and novel alternative by introducing the Correlated Predictors Screening (CPS) method to control for predictors that are highly correlated with the target covariate. Accordingly, the classical ordinary least squares approach can be employed to estimate the regression coefficient associated with the target covariate. In addition, we demonstrate that the resulting estimator is consistent and asymptotically normal even if the random errors are heteroscedastic. This enables us to apply the z-test to assess the significance of each covariate. Based on the p-value obtained from testing the significance of each covariate, we further conduct multiple hypothesis testing by controlling the false discovery rate at the nominal level. Then, we show that the multiple hypothesis testing achieves consistent model selection. Simulation studies and empirical examples are presented to illustrate the finite sample performance and the usefulness of the proposed method, respectively. PMID:28663668

Testing a single regression coefficient in high dimensional linear models.

PubMed

Lan, Wei; Zhong, Ping-Shou; Li, Runze; Wang, Hansheng; Tsai, Chih-Ling

2016-11-01

In linear regression models with high dimensional data, the classical z -test (or t -test) for testing the significance of each single regression coefficient is no longer applicable. This is mainly because the number of covariates exceeds the sample size. In this paper, we propose a simple and novel alternative by introducing the Correlated Predictors Screening (CPS) method to control for predictors that are highly correlated with the target covariate. Accordingly, the classical ordinary least squares approach can be employed to estimate the regression coefficient associated with the target covariate. In addition, we demonstrate that the resulting estimator is consistent and asymptotically normal even if the random errors are heteroscedastic. This enables us to apply the z -test to assess the significance of each covariate. Based on the p -value obtained from testing the significance of each covariate, we further conduct multiple hypothesis testing by controlling the false discovery rate at the nominal level. Then, we show that the multiple hypothesis testing achieves consistent model selection. Simulation studies and empirical examples are presented to illustrate the finite sample performance and the usefulness of the proposed method, respectively.

Synthesis of linear regression coefficients by recovering the within-study covariance matrix from summary statistics.

PubMed

Yoneoka, Daisuke; Henmi, Masayuki

2017-06-01

Recently, the number of regression models has dramatically increased in several academic fields. However, within the context of meta-analysis, synthesis methods for such models have not been developed in a commensurate trend. One of the difficulties hindering the development is the disparity in sets of covariates among literature models. If the sets of covariates differ across models, interpretation of coefficients will differ, thereby making it difficult to synthesize them. Moreover, previous synthesis methods for regression models, such as multivariate meta-analysis, often have problems because covariance matrix of coefficients (i.e. within-study correlations) or individual patient data are not necessarily available. This study, therefore, proposes a brief explanation regarding a method to synthesize linear regression models under different covariate sets by using a generalized least squares method involving bias correction terms. Especially, we also propose an approach to recover (at most) threecorrelations of covariates, which is required for the calculation of the bias term without individual patient data. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Population heterogeneity in the salience of multiple risk factors for adolescent delinquency.

PubMed

Lanza, Stephanie T; Cooper, Brittany R; Bray, Bethany C

2014-03-01

To present mixture regression analysis as an alternative to more standard regression analysis for predicting adolescent delinquency. We demonstrate how mixture regression analysis allows for the identification of population subgroups defined by the salience of multiple risk factors. We identified population subgroups (i.e., latent classes) of individuals based on their coefficients in a regression model predicting adolescent delinquency from eight previously established risk indices drawn from the community, school, family, peer, and individual levels. The study included N = 37,763 10th-grade adolescents who participated in the Communities That Care Youth Survey. Standard, zero-inflated, and mixture Poisson and negative binomial regression models were considered. Standard and mixture negative binomial regression models were selected as optimal. The five-class regression model was interpreted based on the class-specific regression coefficients, indicating that risk factors had varying salience across classes of adolescents. Standard regression showed that all risk factors were significantly associated with delinquency. Mixture regression provided more nuanced information, suggesting a unique set of risk factors that were salient for different subgroups of adolescents. Implications for the design of subgroup-specific interventions are discussed. Copyright © 2014 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Retro-regression--another important multivariate regression improvement.

PubMed

Randić, M

2001-01-01

We review the serious problem associated with instabilities of the coefficients of regression equations, referred to as the MRA (multivariate regression analysis) "nightmare of the first kind". This is manifested when in a stepwise regression a descriptor is included or excluded from a regression. The consequence is an unpredictable change of the coefficients of the descriptors that remain in the regression equation. We follow with consideration of an even more serious problem, referred to as the MRA "nightmare of the second kind", arising when optimal descriptors are selected from a large pool of descriptors. This process typically causes at different steps of the stepwise regression a replacement of several previously used descriptors by new ones. We describe a procedure that resolves these difficulties. The approach is illustrated on boiling points of nonanes which are considered (1) by using an ordered connectivity basis; (2) by using an ordering resulting from application of greedy algorithm; and (3) by using an ordering derived from an exhaustive search for optimal descriptors. A novel variant of multiple regression analysis, called retro-regression (RR), is outlined showing how it resolves the ambiguities associated with both "nightmares" of the first and the second kind of MRA.

[From clinical judgment to linear regression model.

PubMed

Palacios-Cruz, Lino; Pérez, Marcela; Rivas-Ruiz, Rodolfo; Talavera, Juan O

2013-01-01

When we think about mathematical models, such as linear regression model, we think that these terms are only used by those engaged in research, a notion that is far from the truth. Legendre described the first mathematical model in 1805, and Galton introduced the formal term in 1886. Linear regression is one of the most commonly used regression models in clinical practice. It is useful to predict or show the relationship between two or more variables as long as the dependent variable is quantitative and has normal distribution. Stated in another way, the regression is used to predict a measure based on the knowledge of at least one other variable. Linear regression has as it's first objective to determine the slope or inclination of the regression line: Y = a + bx, where "a" is the intercept or regression constant and it is equivalent to "Y" value when "X" equals 0 and "b" (also called slope) indicates the increase or decrease that occurs when the variable "x" increases or decreases in one unit. In the regression line, "b" is called regression coefficient. The coefficient of determination (R 2 ) indicates the importance of independent variables in the outcome.

Interpretation of commonly used statistical regression models.

PubMed

Kasza, Jessica; Wolfe, Rory

2014-01-01

A review of some regression models commonly used in respiratory health applications is provided in this article. Simple linear regression, multiple linear regression, logistic regression and ordinal logistic regression are considered. The focus of this article is on the interpretation of the regression coefficients of each model, which are illustrated through the application of these models to a respiratory health research study. © 2013 The Authors. Respirology © 2013 Asian Pacific Society of Respirology.

Using an optimal CC-PLSR-RBFNN model and NIR spectroscopy for the starch content determination in corn

NASA Astrophysics Data System (ADS)

Jiang, Hao; Lu, Jiangang

2018-05-01

Corn starch is an important material which has been traditionally used in the fields of food and chemical industry. In order to enhance the rapidness and reliability of the determination for starch content in corn, a methodology is proposed in this work, using an optimal CC-PLSR-RBFNN calibration model and near-infrared (NIR) spectroscopy. The proposed model was developed based on the optimal selection of crucial parameters and the combination of correlation coefficient method (CC), partial least squares regression (PLSR) and radial basis function neural network (RBFNN). To test the performance of the model, a standard NIR spectroscopy data set was introduced, containing spectral information and chemical reference measurements of 80 corn samples. For comparison, several other models based on the identical data set were also briefly discussed. In this process, the root mean square error of prediction (RMSEP) and coefficient of determination (Rp2) in the prediction set were used to make evaluations. As a result, the proposed model presented the best predictive performance with the smallest RMSEP (0.0497%) and the highest Rp2 (0.9968). Therefore, the proposed method combining NIR spectroscopy with the optimal CC-PLSR-RBFNN model can be helpful to determine starch content in corn.

Volatile profile analysis and quality prediction of Longjing tea (Camellia sinensis) by HS-SPME/GC-MS

PubMed Central

Lin, Jie; Dai, Yi; Guo, Ya-nan; Xu, Hai-rong; Wang, Xiao-chang

2012-01-01

This study aimed to analyze the volatile chemical profile of Longjing tea, and further develop a prediction model for aroma quality of Longjing tea based on potent odorants. A total of 21 Longjing samples were analyzed by headspace solid phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Pearson’s linear correlation analysis and partial least square (PLS) regression were applied to investigate the relationship between sensory aroma scores and the volatile compounds. Results showed that 60 volatile compounds could be commonly detected in this famous green tea. Terpenes and esters were two major groups characterized, representing 33.89% and 15.53% of the total peak area respectively. Ten compounds were determined to contribute significantly to the perceived aroma quality of Longjing tea, especially linalool (0.701), nonanal (0.738), (Z)-3-hexenyl hexanoate (−0.785), and β-ionone (−0.763). On the basis of these 10 compounds, a model (correlation coefficient of 89.4% and cross-validated correlation coefficient of 80.4%) was constructed to predict the aroma quality of Longjing tea. Summarily, this study has provided a novel option for quality prediction of green tea based on HS-SPME/GC-MS technique. PMID:23225852

Irradiation dose detection of irradiated milk powder using visible and near-infrared spectroscopy and chemometrics.

PubMed

Kong, W W; Zhang, C; Liu, F; Gong, A P; He, Y

2013-08-01

The objective of this study was to examine the possibility of applying visible and near-infrared spectroscopy to the quantitative detection of irradiation dose of irradiated milk powder. A total of 150 samples were used: 100 for the calibration set and 50 for the validation set. The samples were irradiated at 5 different dose levels in the dose range 0 to 6.0 kGy. Six different pretreatment methods were compared. The prediction results of full spectra given by linear and nonlinear calibration methods suggested that Savitzky-Golay smoothing and first derivative were suitable pretreatment methods in this study. Regression coefficient analysis was applied to select effective wavelengths (EW). Less than 10 EW were selected and they were useful for portable detection instrument or sensor development. Partial least squares, extreme learning machine, and least squares support vector machine were used. The best prediction performance was achieved by the EW-extreme learning machine model with first-derivative spectra, and correlation coefficients=0.97 and root mean square error of prediction=0.844. This study provided a new approach for the fast detection of irradiation dose of milk powder. The results could be helpful for quality detection and safety monitoring of milk powder. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A SEMIPARAMETRIC BAYESIAN MODEL FOR CIRCULAR-LINEAR REGRESSION

EPA Science Inventory

We present a Bayesian approach to regress a circular variable on a linear predictor. The regression coefficients are assumed to have a nonparametric distribution with a Dirichlet process prior. The semiparametric Bayesian approach gives added flexibility to the model and is usefu...

Heavy metal bioaccumulation by Miscanthus sacchariflorus and its potential for removing metals from the Dongting Lake wetlands, China.

PubMed

Yao, Xin; Niu, Yandong; Li, Youzhi; Zou, Dongsheng; Ding, Xiaohui; Bian, Hualin

2018-05-09

Bioaccumulation of five heavy metals (Cd, Cu, Mn, Pb, and Zn) in six plant organs (panicle, leaf, stem, root, rhizome, and bud) of the emergent and perennial plant species, Miscanthus sacchariflorus, were investigated to estimate the plant's potential for accumulating heavy metals in the wetlands of Dongting Lake. We found the highest Cd concentrations in the panicles and leaves; while the highest Cu and Mn were observed in the roots, the highest Pb in the panicles, and the highest Zn in the panicles and buds. In contrast, the lowest Cd concentrations were detected in the stem, roots, and buds; the lowest Cu concentrations in the leaves and stems; the lowest Mn concentrations in the panicles, rhizomes, and buds; the lowest Pb concentrations in the stems; and the lowest Zn concentrations in the leaves, stems, and rhizomes. Mean Cu concentration in the plant showed a positive regression coefficient with plot elevation, soil organic matter content, and soil Cu concentration, whereas it showed a negative regression coefficient with soil moisture and electrolyte leakage. Mean Mn concentration showed positive and negative regression coefficients with soil organic matter and soil moisture, respectively. Mean Pb concentration exhibited positive regression coefficient with plot elevation and soil total P concentration, and Zn concentration showed a positive regression coefficient with soil available P and total P concentrations. However, there was no significant regression coefficient between mean Cd concentration in the plant and the investigated environmental parameters. Stems and roots were the main organs involved in heavy metal accumulation from the environment. The mean quantities of heavy metals accumulated in the plant tissues were 2.2 mg Cd, 86.7 mg Cu, 290.3 mg Mn, 15.9 mg Pb, and 307 mg Zn per square meter. In the Dongting Lake wetlands, 0.7 × 10 3  kg Cd, 22.9 × 10 3  kg Cu, 77.5 × 10 3  kg Mn, 3.1 × 10 3  kg Pb, and 95.9 × 10 3  kg Zn per year were accumulated by aboveground organs and removed from the lake through harvesting for paper manufacture.

Spectral regression and correlation coefficients of some benzaldimines and salicylaldimines in different solvents

NASA Astrophysics Data System (ADS)

Hammud, Hassan H.; Ghannoum, Amer; Masoud, Mamdouh S.

2006-02-01

Sixteen Schiff bases obtained from the condensation of benzaldehyde or salicylaldehyde with various amines (aniline, 4-carboxyaniline, phenylhydrazine, 2,4-dinitrophenylhydrazine, ethylenediamine, hydrazine, o-phenylenediamine and 2,6-pyridinediamine) are studied with UV-vis spectroscopy to observe the effect of solvents, substituents and other structural factors on the spectra. The bands involving different electronic transitions are interpreted. Computerized analysis and multiple regression techniques were applied to calculate the regression and correlation coefficients based on the equation that relates peak position λmax to the solvent parameters that depend on the H-bonding ability, refractive index and dielectric constant of solvents.

Uranium plasma emission coefficient in the visible and near UV.

NASA Technical Reports Server (NTRS)

Mack, J. M., Jr.; Usher, J. L.; Schneider, R. T.; Campbell, H. D.

1971-01-01

Measurements of the specific emission coefficient in the near ultra-violet and visible region of a uranium arc plasma are reported. Spatial unfolding of the intensity profile is used to determine the emission coefficient in the spectral range of 2000 A to 6000 A. The uranium partial pressure is estimated to range between .001 and .01 atmosphere, and the corresponding temperature range is 5000 - 10,000 K.

Measurements of Pressure Distributions and Force Coefficients in a Squeeze Film Damper. Part 2: Partially Sealed Configuration

NASA Technical Reports Server (NTRS)

Jung, S. Y.; Sanandres, Luis A.; Vance, J. M.

1991-01-01

Experimental results from a partially sealed squeeze film damper (SFD) test rig, executing a circular centered orbit are presented and discussed. A serrated piston ring is installed at the damper exit. This device involves a new sealing concept which produces high damping values while allowing for oil flow to cool the damper. In the partially sealed damper, large cavitation regions are observed in the pressure fields at orbit radii epsilon equals 0.5 and epsilon equals 0.8. The cavitated pressure distributions and the corresponding force coefficients are compared with a cavitated bearing solution. The experimental results show the significance of fluid inertia and vapor cavitation in the operation of squeeze film dampers. Squeeze film Reynolds numbers tested reach up to Re equals 50, spanning the range of contemporary applications.

Partial Fractions via Calculus

ERIC Educational Resources Information Center

Bauldry, William C.

2018-01-01

The standard technique taught in calculus courses for partial fraction expansions uses undetermined coefficients to generate a system of linear equations; we present a derivative-based technique that calculus and differential equations instructors can use to reinforce connections to calculus. Simple algebra shows that we can use the derivative to…

The Use of Alternative Regression Methods in Social Sciences and the Comparison of Least Squares and M Estimation Methods in Terms of the Determination of Coefficient

ERIC Educational Resources Information Center

Coskuntuncel, Orkun

2013-01-01

The purpose of this study is two-fold; the first aim being to show the effect of outliers on the widely used least squares regression estimator in social sciences. The second aim is to compare the classical method of least squares with the robust M-estimator using the "determination of coefficient" (R[superscript 2]). For this purpose,…

Raman spectroscopy: in vivo quick response code of skin physiological status

NASA Astrophysics Data System (ADS)

Vyumvuhore, Raoul; Tfayli, Ali; Piot, Olivier; Le Guillou, Maud; Guichard, Nathalie; Manfait, Michel; Baillet-Guffroy, Arlette

2014-11-01

Dermatologists need to combine different clinically relevant characteristics for a better understanding of skin health. These characteristics are usually measured by different techniques, and some of them are highly time consuming. Therefore, a predicting model based on Raman spectroscopy and partial least square (PLS) regression was developed as a rapid multiparametric method. The Raman spectra collected from the five uppermost micrometers of 11 healthy volunteers were fitted to different skin characteristics measured by independent appropriate methods (transepidermal water loss, hydration, pH, relative amount of ceramides, fatty acids, and cholesterol). For each parameter, the obtained PLS model presented correlation coefficients higher than R2=0.9. This model enables us to obtain all the aforementioned parameters directly from the unique Raman signature. In addition to that, in-depth Raman analyses down to 20 μm showed different balances between partially bound water and unbound water with depth. In parallel, the increase of depth was followed by an unfolding process of the proteins. The combinations of all these information led to a multiparametric investigation, which better characterizes the skin status. Raman signal can thus be used as a quick response code (QR code). This could help dermatologic diagnosis of physiological variations and presents a possible extension to pathological characterization.

Raman spectroscopy: in vivo quick response code of skin physiological status.

PubMed

Vyumvuhore, Raoul; Tfayli, Ali; Piot, Olivier; Le Guillou, Maud; Guichard, Nathalie; Manfait, Michel; Baillet-Guffroy, Arlette

2014-01-01

Dermatologists need to combine different clinically relevant characteristics for a better understanding of skin health. These characteristics are usually measured by different techniques, and some of them are highly time consuming. Therefore, a predicting model based on Raman spectroscopy and partial least square (PLS) regression was developed as a rapid multiparametric method. The Raman spectra collected from the five uppermost micrometers of 11 healthy volunteers were fitted to different skin characteristics measured by independent appropriate methods (transepidermal water loss, hydration, pH, relative amount of ceramides, fatty acids, and cholesterol). For each parameter, the obtained PLS model presented correlation coefficients higher than R2=0.9. This model enables us to obtain all the aforementioned parameters directly from the unique Raman signature. In addition to that, in-depth Raman analyses down to 20 μm showed different balances between partially bound water and unbound water with depth. In parallel, the increase of depth was followed by an unfolding process of the proteins. The combinations of all these information led to a multiparametric investigation, which better characterizes the skin status. Raman signal can thus be used as a quick response code (QR code). This could help dermatologic diagnosis of physiological variations and presents a possible extension to pathological characterization.

Analysis of low flows and selected methods for estimating low-flow characteristics at partial-record and ungaged stream sites in western Washington

USGS Publications Warehouse

Curran, Christopher A.; Eng, Ken; Konrad, Christopher P.

2012-01-01

Regional low-flow regression models for estimating Q7,10 at ungaged stream sites are developed from the records of daily discharge at 65 continuous gaging stations (including 22 discontinued gaging stations) for the purpose of evaluating explanatory variables. By incorporating the base-flow recession time constant τ as an explanatory variable in the regression model, the root-mean square error for estimating Q7,10 at ungaged sites can be lowered to 72 percent (for known values of τ), which is 42 percent less than if only basin area and mean annual precipitation are used as explanatory variables. If partial-record sites are included in the regression data set, τ must be estimated from pairs of discharge measurements made during continuous periods of declining low flows. Eight measurement pairs are optimal for estimating τ at partial-record sites, and result in a lowering of the root-mean square error by 25 percent. A low-flow survey strategy that includes paired measurements at partial-record sites requires additional effort and planning beyond a standard strategy, but could be used to enhance regional estimates of τ and potentially reduce the error of regional regression models for estimating low-flow characteristics at ungaged sites.

Multicollinearity and Regression Analysis

NASA Astrophysics Data System (ADS)

Daoud, Jamal I.

2017-12-01

In regression analysis it is obvious to have a correlation between the response and predictor(s), but having correlation among predictors is something undesired. The number of predictors included in the regression model depends on many factors among which, historical data, experience, etc. At the end selection of most important predictors is something objective due to the researcher. Multicollinearity is a phenomena when two or more predictors are correlated, if this happens, the standard error of the coefficients will increase [8]. Increased standard errors means that the coefficients for some or all independent variables may be found to be significantly different from In other words, by overinflating the standard errors, multicollinearity makes some variables statistically insignificant when they should be significant. In this paper we focus on the multicollinearity, reasons and consequences on the reliability of the regression model.

QSAR modeling of flotation collectors using principal components extracted from topological indices.

PubMed

Natarajan, R; Nirdosh, Inderjit; Basak, Subhash C; Mills, Denise R

2002-01-01

Several topological indices were calculated for substituted-cupferrons that were tested as collectors for the froth flotation of uranium. The principal component analysis (PCA) was used for data reduction. Seven principal components (PC) were found to account for 98.6% of the variance among the computed indices. The principal components thus extracted were used in stepwise regression analyses to construct regression models for the prediction of separation efficiencies (Es) of the collectors. A two-parameter model with a correlation coefficient of 0.889 and a three-parameter model with a correlation coefficient of 0.913 were formed. PCs were found to be better than partition coefficient to form regression equations, and inclusion of an electronic parameter such as Hammett sigma or quantum mechanically derived electronic charges on the chelating atoms did not improve the correlation coefficient significantly. The method was extended to model the separation efficiencies of mercaptobenzothiazoles (MBT) and aminothiophenols (ATP) used in the flotation of lead and zinc ores, respectively. Five principal components were found to explain 99% of the data variability in each series. A three-parameter equation with correlation coefficient of 0.985 and a two-parameter equation with correlation coefficient of 0.926 were obtained for MBT and ATP, respectively. The amenability of separation efficiencies of chelating collectors to QSAR modeling using PCs based on topological indices might lead to the selection of collectors for synthesis and testing from a virtual database.

Techniques for estimating magnitude and frequency of peak flows for Pennsylvania streams

USGS Publications Warehouse

Stuckey, Marla H.; Reed, Lloyd A.

2000-01-01

Regression equations for estimating the magnitude and frequency of floods on ungaged streams in Pennsylvania with drainage areas less that 2,000 square miles were developed on the basis of peak-flow data collected at 313 streamflow-gaging stations. All streamflow-gaging stations used in the development of the equations had 10 or more years of record and include active and discontinued continuous-record and crest-stage partial-record streamflow-gaging stations. Regional regression equations were developed for flood flows expected every 10, 25, 50, 100, and 500 years by the use of a weighted multiple linear regression model.The State was divided into two regions. The largest region, Region A, encompasses about 78 percent of Pennsylvania. The smaller region, Region B, includes only the northwestern part of the State. Basin characteristics used in the regression equations for Region A are drainage area, percentage of forest cover, percentage of urban development, percentage of basin underlain by carbonate bedrock, and percentage of basin controlled by lakes, swamps, and reservoirs. Basin characteristics used in the regression equations for Region B are drainage area and percentage of basin controlled by lakes, swamps, and reservoirs. The coefficient of determination (R2) values for the five flood-frequency equations for Region A range from 0.93 to 0.82, and for Region B, the range is from 0.96 to 0.89.While the regression equations can be used to predict the magnitude and frequency of peak flows for most streams in the State, they should not be used for streams with drainage areas greater than 2,000 square miles or less than 1.5 square miles, for streams that drain extensively mined areas, or for stream reaches immediately below flood-control reservoirs. In addition, the equations presented for Region B should not be used if the stream drains a basin with more than 5 percent urban development.

Parametric regression model for survival data: Weibull regression model as an example

PubMed Central

2016-01-01

Weibull regression model is one of the most popular forms of parametric regression model that it provides estimate of baseline hazard function, as well as coefficients for covariates. Because of technical difficulties, Weibull regression model is seldom used in medical literature as compared to the semi-parametric proportional hazard model. To make clinical investigators familiar with Weibull regression model, this article introduces some basic knowledge on Weibull regression model and then illustrates how to fit the model with R software. The SurvRegCensCov package is useful in converting estimated coefficients to clinical relevant statistics such as hazard ratio (HR) and event time ratio (ETR). Model adequacy can be assessed by inspecting Kaplan-Meier curves stratified by categorical variable. The eha package provides an alternative method to model Weibull regression model. The check.dist() function helps to assess goodness-of-fit of the model. Variable selection is based on the importance of a covariate, which can be tested using anova() function. Alternatively, backward elimination starting from a full model is an efficient way for model development. Visualization of Weibull regression model after model development is interesting that it provides another way to report your findings. PMID:28149846

Standardized Regression Coefficients as Indices of Effect Sizes in Meta-Analysis

ERIC Educational Resources Information Center

Kim, Rae Seon

2011-01-01

When conducting a meta-analysis, it is common to find many collected studies that report regression analyses, because multiple regression analysis is widely used in many fields. Meta-analysis uses effect sizes drawn from individual studies as a means of synthesizing a collection of results. However, indices of effect size from regression analyses…

Evaluation of the efficiency of continuous wavelet transform as processing and preprocessing algorithm for resolution of overlapped signals in univariate and multivariate regression analyses; an application to ternary and quaternary mixtures

NASA Astrophysics Data System (ADS)

Hegazy, Maha A.; Lotfy, Hayam M.; Mowaka, Shereen; Mohamed, Ekram Hany

2016-07-01

Wavelets have been adapted for a vast number of signal-processing applications due to the amount of information that can be extracted from a signal. In this work, a comparative study on the efficiency of continuous wavelet transform (CWT) as a signal processing tool in univariate regression and a pre-processing tool in multivariate analysis using partial least square (CWT-PLS) was conducted. These were applied to complex spectral signals of ternary and quaternary mixtures. CWT-PLS method succeeded in the simultaneous determination of a quaternary mixture of drotaverine (DRO), caffeine (CAF), paracetamol (PAR) and p-aminophenol (PAP, the major impurity of paracetamol). While, the univariate CWT failed to simultaneously determine the quaternary mixture components and was able to determine only PAR and PAP, the ternary mixtures of DRO, CAF, and PAR and CAF, PAR, and PAP. During the calculations of CWT, different wavelet families were tested. The univariate CWT method was validated according to the ICH guidelines. While for the development of the CWT-PLS model a calibration set was prepared by means of an orthogonal experimental design and their absorption spectra were recorded and processed by CWT. The CWT-PLS model was constructed by regression between the wavelet coefficients and concentration matrices and validation was performed by both cross validation and external validation sets. Both methods were successfully applied for determination of the studied drugs in pharmaceutical formulations.

The solar wind effect on cosmic rays and solar activity

NASA Technical Reports Server (NTRS)

Fujimoto, K.; Kojima, H.; Murakami, K.

1985-01-01

The relation of cosmic ray intensity to solar wind velocity is investigated, using neutron monitor data from Kiel and Deep River. The analysis shows that the regression coefficient of the average intensity for a time interval to the corresponding average velocity is negative and that the absolute effect increases monotonously with the interval of averaging, tau, that is, from -0.5% per 100km/s for tau = 1 day to -1.1% per 100km/s for tau = 27 days. For tau 27 days the coefficient becomes almost constant independently of the value of tau. The analysis also shows that this tau-dependence of the regression coefficiently is varying with the solar activity.

Canonical coordinates for partial differential equations

NASA Technical Reports Server (NTRS)

Hunt, L. R.; Villarreal, Ramiro

1988-01-01

Necessary and sufficient conditions are found under which operators of the form Sigma (m, j=1) x (2) sub j + X sub O can be made constant coefficient. In addition, necessary and sufficient conditions are derived which classify those linear partial differential operators that can be moved to the Kolmogorov type.

Canonical coordinates for partial differential equations

NASA Technical Reports Server (NTRS)

Hunt, L. R.; Villarreal, Ramiro

1987-01-01

Necessary and sufficient conditions are found under which operators of the form Sigma(m, j=1) X(2)sub j + X sub 0 can be made constant coefficient. In addition, necessary and sufficient conditions are derived which classify those linear partial differential operators that can be moved to the Kolmogorov type.

Prediction of bovine milk technological traits from mid-infrared spectroscopy analysis in dairy cows.

PubMed

Visentin, G; McDermott, A; McParland, S; Berry, D P; Kenny, O A; Brodkorb, A; Fenelon, M A; De Marchi, M

2015-09-01

Rapid, cost-effective monitoring of milk technological traits is a significant challenge for dairy industries specialized in cheese manufacturing. The objective of the present study was to investigate the ability of mid-infrared spectroscopy to predict rennet coagulation time, curd-firming time, curd firmness at 30 and 60min after rennet addition, heat coagulation time, casein micelle size, and pH in cow milk samples, and to quantify associations between these milk technological traits and conventional milk quality traits. Samples (n=713) were collected from 605 cows from multiple herds; the samples represented multiple breeds, stages of lactation, parities, and milking times. Reference analyses were undertaken in accordance with standardized methods, and mid-infrared spectra in the range of 900 to 5,000cm(-1) were available for all samples. Prediction models were developed using partial least squares regression, and prediction accuracy was based on both cross and external validation. The proportion of variance explained by the prediction models in external validation was greatest for pH (71%), followed by rennet coagulation time (55%) and milk heat coagulation time (46%). Models to predict curd firmness 60min from rennet addition and casein micelle size, however, were poor, explaining only 25 and 13%, respectively, of the total variance in each trait within external validation. On average, all prediction models tended to be unbiased. The linear regression coefficient of the reference value on the predicted value varied from 0.17 (casein micelle size regression model) to 0.83 (pH regression model) but all differed from 1. The ratio performance deviation of 1.07 (casein micelle size prediction model) to 1.79 (pH prediction model) for all prediction models in the external validation was <2, suggesting that none of the prediction models could be used for analytical purposes. With the exception of casein micelle size and curd firmness at 60min after rennet addition, the developed prediction models may be useful as a screening method, because the concordance correlation coefficient ranged from 0.63 (heat coagulation time prediction model) to 0.84 (pH prediction model) in the external validation. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Interpretation of the Coefficients in the Fit y = at + bx + c

ERIC Educational Resources Information Center

Farnsworth, David L.

2006-01-01

The goals of this note are to derive formulas for the coefficients a and b in the least-squares regression plane y = at + bx + c for observations (t[subscript]i,x[subscript]i,y[subscript]i), i = 1, 2, ..., n, and to present meanings for the coefficients a and b. In this note, formulas for the coefficients a and b in the least-squares fit are…

Predictive equations for the estimation of body size in seals and sea lions (Carnivora: Pinnipedia)

PubMed Central

Churchill, Morgan; Clementz, Mark T; Kohno, Naoki

2014-01-01

Body size plays an important role in pinniped ecology and life history. However, body size data is often absent for historical, archaeological, and fossil specimens. To estimate the body size of pinnipeds (seals, sea lions, and walruses) for today and the past, we used 14 commonly preserved cranial measurements to develop sets of single variable and multivariate predictive equations for pinniped body mass and total length. Principal components analysis (PCA) was used to test whether separate family specific regressions were more appropriate than single predictive equations for Pinnipedia. The influence of phylogeny was tested with phylogenetic independent contrasts (PIC). The accuracy of these regressions was then assessed using a combination of coefficient of determination, percent prediction error, and standard error of estimation. Three different methods of multivariate analysis were examined: bidirectional stepwise model selection using Akaike information criteria; all-subsets model selection using Bayesian information criteria (BIC); and partial least squares regression. The PCA showed clear discrimination between Otariidae (fur seals and sea lions) and Phocidae (earless seals) for the 14 measurements, indicating the need for family-specific regression equations. The PIC analysis found that phylogeny had a minor influence on relationship between morphological variables and body size. The regressions for total length were more accurate than those for body mass, and equations specific to Otariidae were more accurate than those for Phocidae. Of the three multivariate methods, the all-subsets approach required the fewest number of variables to estimate body size accurately. We then used the single variable predictive equations and the all-subsets approach to estimate the body size of two recently extinct pinniped taxa, the Caribbean monk seal (Monachus tropicalis) and the Japanese sea lion (Zalophus japonicus). Body size estimates using single variable regressions generally under or over-estimated body size; however, the all-subset regression produced body size estimates that were close to historically recorded body length for these two species. This indicates that the all-subset regression equations developed in this study can estimate body size accurately. PMID:24916814

Solute-solvent interactions in 2,4-dihydroxyacetophenone isonicotinoylhydrazone solutions in N, N-dimethylformamide and dimethyl sulfoxide at 298-313 K on ultrasonic and viscometric data

NASA Astrophysics Data System (ADS)

Dikkar, A. B.; Pethe, G. B.; Aswar, A. S.

2016-02-01

The speed of sound ( u), density (ρ), and viscosity (η) of 2,4-dihydroxyacetophenone isonicotinoylhydrazone (DHAIH) have been measured in N, N-dimethyl formamide and dimethyl sulfoxide at equidistance temperatures 298.15, 303.15, 308.15, and 313.15 K. These data were used to calculate some important ultrasonic and thermodynamic parameters such as apparent molar volume ( V ϕ s st ), apparent molar compressibility ( K ϕ), partial molar volume ( V ϕ 0 ) and partial molar compressibility ( K ϕ 0 ), were estimated by using the values of ( V ϕ 0 ) and ( K ϕ), at infinite dilution. Partial molar expansion at infinite dilution, (ϕ E 0 ) has also been calculated from temperature dependence of partial molar volume V ϕ 0 . The viscosity data have been analyzed using the Jones-Dole equation, and the viscosity, B coefficients are calculated. The activation free energy has been calculated from B coefficients and partial molar volume data. The results have been discussed in the term of solute-solvent interaction occurring in solutions and it was found that DHAIH acts as a structure maker in present systems.

Investigating the Performance of Alternate Regression Weights by Studying All Possible Criteria in Regression Models with a Fixed Set of Predictors

ERIC Educational Resources Information Center

Waller, Niels; Jones, Jeff

2011-01-01

We describe methods for assessing all possible criteria (i.e., dependent variables) and subsets of criteria for regression models with a fixed set of predictors, x (where x is an n x 1 vector of independent variables). Our methods build upon the geometry of regression coefficients (hereafter called regression weights) in n-dimensional space. For a…

Neither fixed nor random: weighted least squares meta-regression.

PubMed

Stanley, T D; Doucouliagos, Hristos

2017-03-01

Our study revisits and challenges two core conventional meta-regression estimators: the prevalent use of 'mixed-effects' or random-effects meta-regression analysis and the correction of standard errors that defines fixed-effects meta-regression analysis (FE-MRA). We show how and explain why an unrestricted weighted least squares MRA (WLS-MRA) estimator is superior to conventional random-effects (or mixed-effects) meta-regression when there is publication (or small-sample) bias that is as good as FE-MRA in all cases and better than fixed effects in most practical applications. Simulations and statistical theory show that WLS-MRA provides satisfactory estimates of meta-regression coefficients that are practically equivalent to mixed effects or random effects when there is no publication bias. When there is publication selection bias, WLS-MRA always has smaller bias than mixed effects or random effects. In practical applications, an unrestricted WLS meta-regression is likely to give practically equivalent or superior estimates to fixed-effects, random-effects, and mixed-effects meta-regression approaches. However, random-effects meta-regression remains viable and perhaps somewhat preferable if selection for statistical significance (publication bias) can be ruled out and when random, additive normal heterogeneity is known to directly affect the 'true' regression coefficient. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Interpreting Bivariate Regression Coefficients: Going beyond the Average

ERIC Educational Resources Information Center

Halcoussis, Dennis; Phillips, G. Michael

2010-01-01

Statistics, econometrics, investment analysis, and data analysis classes often review the calculation of several types of averages, including the arithmetic mean, geometric mean, harmonic mean, and various weighted averages. This note shows how each of these can be computed using a basic regression framework. By recognizing when a regression model…

Beyond Multiple Regression: Using Commonality Analysis to Better Understand R[superscript 2] Results

ERIC Educational Resources Information Center

Warne, Russell T.

2011-01-01

Multiple regression is one of the most common statistical methods used in quantitative educational research. Despite the versatility and easy interpretability of multiple regression, it has some shortcomings in the detection of suppressor variables and for somewhat arbitrarily assigning values to the structure coefficients of correlated…

Precision Efficacy Analysis for Regression.

ERIC Educational Resources Information Center

Brooks, Gordon P.

When multiple linear regression is used to develop a prediction model, sample size must be large enough to ensure stable coefficients. If the derivation sample size is inadequate, the model may not predict well for future subjects. The precision efficacy analysis for regression (PEAR) method uses a cross- validity approach to select sample sizes…

Detection and quantification of adulteration in sandalwood oil through near infrared spectroscopy.

PubMed

Kuriakose, Saji; Thankappan, Xavier; Joe, Hubert; Venkataraman, Venkateswaran

2010-10-01

The confirmation of authenticity of essential oils and the detection of adulteration are problems of increasing importance in the perfumes, pharmaceutical, flavor and fragrance industries. This is especially true for 'value added' products like sandalwood oil. A methodical study is conducted here to demonstrate the potential use of Near Infrared (NIR) spectroscopy along with multivariate calibration models like principal component regression (PCR) and partial least square regression (PLSR) as rapid analytical techniques for the qualitative and quantitative determination of adulterants in sandalwood oil. After suitable pre-processing of the NIR raw spectral data, the models are built-up by cross-validation. The lowest Root Mean Square Error of Cross-Validation and Calibration (RMSECV and RMSEC % v/v) are used as a decision supporting system to fix the optimal number of factors. The coefficient of determination (R(2)) and the Root Mean Square Error of Prediction (RMSEP % v/v) in the prediction sets are used as the evaluation parameters (R(2) = 0.9999 and RMSEP = 0.01355). The overall result leads to the conclusion that NIR spectroscopy with chemometric techniques could be successfully used as a rapid, simple, instant and non-destructive method for the detection of adulterants, even 1% of the low-grade oils, in the high quality form of sandalwood oil.

Firmness prediction in Prunus persica 'Calrico' peaches by visible/short-wave near infrared spectroscopy and acoustic measurements using optimised linear and non-linear chemometric models.

PubMed

Lafuente, Victoria; Herrera, Luis J; Pérez, María del Mar; Val, Jesús; Negueruela, Ignacio

2015-08-15

In this work, near infrared spectroscopy (NIR) and an acoustic measure (AWETA) (two non-destructive methods) were applied in Prunus persica fruit 'Calrico' (n = 260) to predict Magness-Taylor (MT) firmness. Separate and combined use of these measures was evaluated and compared using partial least squares (PLS) and least squares support vector machine (LS-SVM) regression methods. Also, a mutual-information-based variable selection method, seeking to find the most significant variables to produce optimal accuracy of the regression models, was applied to a joint set of variables (NIR wavelengths and AWETA measure). The newly proposed combined NIR-AWETA model gave good values of the determination coefficient (R(2)) for PLS and LS-SVM methods (0.77 and 0.78, respectively), improving the reliability of MT firmness prediction in comparison with separate NIR and AWETA predictions. The three variables selected by the variable selection method (AWETA measure plus NIR wavelengths 675 and 697 nm) achieved R(2) values 0.76 and 0.77, PLS and LS-SVM. These results indicated that the proposed mutual-information-based variable selection algorithm was a powerful tool for the selection of the most relevant variables. © 2014 Society of Chemical Industry.

Comparison of Subjective Refraction under Binocular and Monocular Conditions in Myopic Subjects.

PubMed

Kobashi, Hidenaga; Kamiya, Kazutaka; Handa, Tomoya; Ando, Wakako; Kawamorita, Takushi; Igarashi, Akihito; Shimizu, Kimiya

2015-07-28

To compare subjective refraction under binocular and monocular conditions, and to investigate the clinical factors affecting the difference in spherical refraction between the two conditions. We examined thirty eyes of 30 healthy subjects. Binocular and monocular refraction without cycloplegia was measured through circular polarizing lenses in both eyes, using the Landolt-C chart of the 3D visual function trainer-ORTe. Stepwise multiple regression analysis was used to assess the relations among several pairs of variables and the difference in spherical refraction in binocular and monocular conditions. Subjective spherical refraction in the monocular condition was significantly more myopic than that in the binocular condition (p < 0.001), whereas no significant differences were seen in subjective cylindrical refraction (p = 0.99). The explanatory variable relevant to the difference in spherical refraction between binocular and monocular conditions was the binocular spherical refraction (p = 0.032, partial regression coefficient B = 0.029) (adjusted R(2) = 0.230). No significant correlation was seen with other clinical factors. Subjective spherical refraction in the monocular condition was significantly more myopic than that in the binocular condition. Eyes with higher degrees of myopia are more predisposed to show the large difference in spherical refraction between these two conditions.

Comparison of Subjective Refraction under Binocular and Monocular Conditions in Myopic Subjects

PubMed Central

Kobashi, Hidenaga; Kamiya, Kazutaka; Handa, Tomoya; Ando, Wakako; Kawamorita, Takushi; Igarashi, Akihito; Shimizu, Kimiya

2015-01-01

To compare subjective refraction under binocular and monocular conditions, and to investigate the clinical factors affecting the difference in spherical refraction between the two conditions. We examined thirty eyes of 30 healthy subjects. Binocular and monocular refraction without cycloplegia was measured through circular polarizing lenses in both eyes, using the Landolt-C chart of the 3D visual function trainer-ORTe. Stepwise multiple regression analysis was used to assess the relations among several pairs of variables and the difference in spherical refraction in binocular and monocular conditions. Subjective spherical refraction in the monocular condition was significantly more myopic than that in the binocular condition (p < 0.001), whereas no significant differences were seen in subjective cylindrical refraction (p = 0.99). The explanatory variable relevant to the difference in spherical refraction between binocular and monocular conditions was the binocular spherical refraction (p = 0.032, partial regression coefficient B = 0.029) (adjusted R2 = 0.230). No significant correlation was seen with other clinical factors. Subjective spherical refraction in the monocular condition was significantly more myopic than that in the binocular condition. Eyes with higher degrees of myopia are more predisposed to show the large difference in spherical refraction between these two conditions. PMID:26218972

Infrared microspectroscopic determination of collagen cross-links in articular cartilage

NASA Astrophysics Data System (ADS)

Rieppo, Lassi; Kokkonen, Harri T.; Kulmala, Katariina A. M.; Kovanen, Vuokko; Lammi, Mikko J.; Töyräs, Juha; Saarakkala, Simo

2017-03-01

Collagen forms an organized network in articular cartilage to give tensile stiffness to the tissue. Due to its long half-life, collagen is susceptible to cross-links caused by advanced glycation end-products. The current standard method for determination of cross-link concentrations in tissues is the destructive high-performance liquid chromatography (HPLC). The aim of this study was to analyze the cross-link concentrations nondestructively from standard unstained histological articular cartilage sections by using Fourier transform infrared (FTIR) microspectroscopy. Half of the bovine articular cartilage samples (n=27) were treated with threose to increase the collagen cross-linking while the other half (n=27) served as a control group. Partial least squares (PLS) regression with variable selection algorithms was used to predict the cross-link concentrations from the measured average FTIR spectra of the samples, and HPLC was used as the reference method for cross-link concentrations. The correlation coefficients between the PLS regression models and the biochemical reference values were r=0.84 (p<0.001), r=0.87 (p<0.001) and r=0.92 (p<0.001) for hydroxylysyl pyridinoline (HP), lysyl pyridinoline (LP), and pentosidine (Pent) cross-links, respectively. The study demonstrated that FTIR microspectroscopy is a feasible method for investigating cross-link concentrations in articular cartilage.

Prediction of pH of cola beverage using Vis/NIR spectroscopy and least squares-support vector machine

NASA Astrophysics Data System (ADS)

Liu, Fei; He, Yong

2008-02-01

Visible and near infrared (Vis/NIR) transmission spectroscopy and chemometric methods were utilized to predict the pH values of cola beverages. Five varieties of cola were prepared and 225 samples (45 samples for each variety) were selected for the calibration set, while 75 samples (15 samples for each variety) for the validation set. The smoothing way of Savitzky-Golay and standard normal variate (SNV) followed by first-derivative were used as the pre-processing methods. Partial least squares (PLS) analysis was employed to extract the principal components (PCs) which were used as the inputs of least squares-support vector machine (LS-SVM) model according to their accumulative reliabilities. Then LS-SVM with radial basis function (RBF) kernel function and a two-step grid search technique were applied to build the regression model with a comparison of PLS regression. The correlation coefficient (r), root mean square error of prediction (RMSEP) and bias were 0.961, 0.040 and 0.012 for PLS, while 0.975, 0.031 and 4.697x10 -3 for LS-SVM, respectively. Both methods obtained a satisfying precision. The results indicated that Vis/NIR spectroscopy combined with chemometric methods could be applied as an alternative way for the prediction of pH of cola beverages.

Evaluating Alcoholics Anonymous's effect on drinking in Project MATCH using cross-lagged regression panel analysis.

PubMed

Magura, Stephen; Cleland, Charles M; Tonigan, J Scott

2013-05-01

The objective of the study is to determine whether Alcoholics Anonymous (AA) participation leads to reduced drinking and problems related to drinking within Project MATCH (Matching Alcoholism Treatments to Client Heterogeneity), an existing national alcoholism treatment data set. The method used is structural equation modeling of panel data with cross-lagged partial regression coefficients. The main advantage of this technique for the analysis of AA outcomes is that potential reciprocal causation between AA participation and drinking behavior can be explicitly modeled through the specification of finite causal lags. For the outpatient subsample (n = 952), the results strongly support the hypothesis that AA attendance leads to increases in alcohol abstinence and reduces drinking/ problems, whereas a causal effect in the reverse direction is unsupported. For the aftercare subsample (n = 774), the results are not as clear but also suggest that AA attendance leads to better outcomes. Although randomized controlled trials are the surest means of establishing causal relations between interventions and outcomes, such trials are rare in AA research for practical reasons. The current study successfully exploited the multiple data waves in Project MATCH to examine evidence of causality between AA participation and drinking outcomes. The study obtained unique statistical results supporting the effectiveness of AA primarily in the context of primary outpatient treatment for alcoholism.

Experimental determination of U and Th partitioning between clinopyroxene and natural and synthetic basaltic liquid

NASA Technical Reports Server (NTRS)

Latourrette, T. Z.; Burnett, D. S.

1992-01-01

Experimental measurements of U and the partition coefficients between clinopyroxene and synthetic and natural basaltic liquid are presented. The results demonstrate that crystal-liquid U-Th fractionation is fO2-dependent and that U in terrestrial magmas is not entirely tetravalent. During partial melting, the liquid will have a Th/U ratio less than the clinopyroxene in the source. The observed U-238 - Th-230 disequilibrium in MORB requires that the partial melt should have a U/Th ratio greater than the bulk source and therefore cannot result from clinopyroxene-liquid partitioning. Further, the magnitudes of the measured partition coefficients are too small to generate significant U-Th fractionation in either direction. Assuming that clinopyroxene contains the bulk of the U and Th in the MORB source, the results indicate that U-238 - Th-230 disequilibrium in MORB may not be caused by partial melting at all.

40 CFR 53.34 - Test procedure for methods for PM10 and Class I methods for PM2.5.

Code of Federal Regulations, 2011 CFR

2011-07-01

... linear regression parameters (slope, intercept, and correlation coefficient) describing the relationship... correlation coefficient. (2) To pass the test for comparability, the slope, intercept, and correlation...

Spatial patterns of species richness in New World coral snakes and the metabolic theory of ecology

NASA Astrophysics Data System (ADS)

Terribile, Levi Carina; Diniz-Filho, José Alexandre Felizola

2009-03-01

The metabolic theory of ecology (MTE) has attracted great interest because it proposes an explanation for species diversity gradients based on temperature-metabolism relationships of organisms. Here we analyse the spatial richness pattern of 73 coral snake species from the New World in the context of MTE. We first analysed the association between ln-transformed richness and environmental variables, including the inverse transformation of annual temperature (1/ kT). We used eigenvector-based spatial filtering to remove the residual spatial autocorrelation in the data and geographically weighted regression to account for non-stationarity in data. In a model I regression (OLS), the observed slope between ln-richness and 1/ kT was -0.626 ( r2 = 0.413), but a model II regression generated a much steeper slope (-0.975). When we added additional environmental correlates and the spatial filters in the OLS model, the R2 increased to 0.863 and the partial regression coefficient of 1/ kT was -0.676. The GWR detected highly significant non-stationarity, in data, and the median of local slopes of ln-richness against 1/ kT was -0.38. Our results expose several problems regarding the assumptions needed to test MTE: although the slope of OLS fell within that predicted by the theory and the dataset complied with the assumption of temperature-independence of average body size, the fact that coral snakes consist of a restricted taxonomic group and the non-stationarity of slopes across geographical space makes MTE invalid to explain richness in this case. Also, it is clear that other ecological and historical factors are important drivers of species richness patterns and must be taken into account both in theoretical modeling and data analysis.

The Naïve Overfitting Index Selection (NOIS): A new method to optimize model complexity for hyperspectral data

NASA Astrophysics Data System (ADS)

Rocha, Alby D.; Groen, Thomas A.; Skidmore, Andrew K.; Darvishzadeh, Roshanak; Willemen, Louise

2017-11-01

The growing number of narrow spectral bands in hyperspectral remote sensing improves the capacity to describe and predict biological processes in ecosystems. But it also poses a challenge to fit empirical models based on such high dimensional data, which often contain correlated and noisy predictors. As sample sizes, to train and validate empirical models, seem not to be increasing at the same rate, overfitting has become a serious concern. Overly complex models lead to overfitting by capturing more than the underlying relationship, and also through fitting random noise in the data. Many regression techniques claim to overcome these problems by using different strategies to constrain complexity, such as limiting the number of terms in the model, by creating latent variables or by shrinking parameter coefficients. This paper is proposing a new method, named Naïve Overfitting Index Selection (NOIS), which makes use of artificially generated spectra, to quantify the relative model overfitting and to select an optimal model complexity supported by the data. The robustness of this new method is assessed by comparing it to a traditional model selection based on cross-validation. The optimal model complexity is determined for seven different regression techniques, such as partial least squares regression, support vector machine, artificial neural network and tree-based regressions using five hyperspectral datasets. The NOIS method selects less complex models, which present accuracies similar to the cross-validation method. The NOIS method reduces the chance of overfitting, thereby avoiding models that present accurate predictions that are only valid for the data used, and too complex to make inferences about the underlying process.

Predicting heavy metal concentrations in soils and plants using field spectrophotometry

NASA Astrophysics Data System (ADS)

Muradyan, V.; Tepanosyan, G.; Asmaryan, Sh.; Sahakyan, L.; Saghatelyan, A.; Warner, T. A.

2017-09-01

Aim of this study is to predict heavy metal (HM) concentrations in soils and plants using field remote sensing methods. The studied sites were an industrial town of Kajaran and city of Yerevan. The research also included sampling of soils and leaves of two tree species exposed to different pollution levels and determination of contents of HM in lab conditions. The obtained spectral values were then collated with contents of HM in Kajaran soils and the tree leaves sampled in Yerevan, and statistical analysis was done. Consequently, Zn and Pb have a negative correlation coefficient (p <0.01) in a 2498 nm spectral range for soils. Pb has a significantly higher correlation at red edge for plants. A regression models and artificial neural network (ANN) for HM prediction were developed. Good results were obtained for the best stress sensitive spectral band ANN (R2 0.9, RPD 2.0), Simple Linear Regression (SLR) and Partial Least Squares Regression (PLSR) (R2 0.7, RPD 1.4) models. Multiple Linear Regression (MLR) model was not applicable to predict Pb and Zn concentrations in soils in this research. Almost all full spectrum PLS models provide good calibration and validation results (RPD>1.4). Full spectrum ANN models are characterized by excellent calibration R2, rRMSE and RPD (0.9; 0.1 and >2.5 respectively). For prediction of Pb and Ni contents in plants SLR and PLS models were used. The latter provide almost the same results. Our findings indicate that it is possible to make coarse direct estimation of HM content in soils and plants using rapid and economic reflectance spectroscopy.

Local polynomial estimation of heteroscedasticity in a multivariate linear regression model and its applications in economics.

PubMed

Su, Liyun; Zhao, Yanyong; Yan, Tianshun; Li, Fenglan

2012-01-01

Multivariate local polynomial fitting is applied to the multivariate linear heteroscedastic regression model. Firstly, the local polynomial fitting is applied to estimate heteroscedastic function, then the coefficients of regression model are obtained by using generalized least squares method. One noteworthy feature of our approach is that we avoid the testing for heteroscedasticity by improving the traditional two-stage method. Due to non-parametric technique of local polynomial estimation, it is unnecessary to know the form of heteroscedastic function. Therefore, we can improve the estimation precision, when the heteroscedastic function is unknown. Furthermore, we verify that the regression coefficients is asymptotic normal based on numerical simulations and normal Q-Q plots of residuals. Finally, the simulation results and the local polynomial estimation of real data indicate that our approach is surely effective in finite-sample situations.

Data Mining Methods Applied to Flight Operations Quality Assurance Data: A Comparison to Standard Statistical Methods

NASA Technical Reports Server (NTRS)

Stolzer, Alan J.; Halford, Carl

2007-01-01

In a previous study, multiple regression techniques were applied to Flight Operations Quality Assurance-derived data to develop parsimonious model(s) for fuel consumption on the Boeing 757 airplane. The present study examined several data mining algorithms, including neural networks, on the fuel consumption problem and compared them to the multiple regression results obtained earlier. Using regression methods, parsimonious models were obtained that explained approximately 85% of the variation in fuel flow. In general data mining methods were more effective in predicting fuel consumption. Classification and Regression Tree methods reported correlation coefficients of .91 to .92, and General Linear Models and Multilayer Perceptron neural networks reported correlation coefficients of about .99. These data mining models show great promise for use in further examining large FOQA databases for operational and safety improvements.

Predicting Air Permeability of Handloom Fabrics: A Comparative Analysis of Regression and Artificial Neural Network Models

NASA Astrophysics Data System (ADS)

Mitra, Ashis; Majumdar, Prabal Kumar; Bannerjee, Debamalya

2013-03-01

This paper presents a comparative analysis of two modeling methodologies for the prediction of air permeability of plain woven handloom cotton fabrics. Four basic fabric constructional parameters namely ends per inch, picks per inch, warp count and weft count have been used as inputs for artificial neural network (ANN) and regression models. Out of the four regression models tried, interaction model showed very good prediction performance with a meager mean absolute error of 2.017 %. However, ANN models demonstrated superiority over the regression models both in terms of correlation coefficient and mean absolute error. The ANN model with 10 nodes in the single hidden layer showed very good correlation coefficient of 0.982 and 0.929 and mean absolute error of only 0.923 and 2.043 % for training and testing data respectively.

Improvement of Storm Forecasts Using Gridded Bayesian Linear Regression for Northeast United States

NASA Astrophysics Data System (ADS)

Yang, J.; Astitha, M.; Schwartz, C. S.

2017-12-01

Bayesian linear regression (BLR) is a post-processing technique in which regression coefficients are derived and used to correct raw forecasts based on pairs of observation-model values. This study presents the development and application of a gridded Bayesian linear regression (GBLR) as a new post-processing technique to improve numerical weather prediction (NWP) of rain and wind storm forecasts over northeast United States. Ten controlled variables produced from ten ensemble members of the National Center for Atmospheric Research (NCAR) real-time prediction system are used for a GBLR model. In the GBLR framework, leave-one-storm-out cross-validation is utilized to study the performances of the post-processing technique in a database composed of 92 storms. To estimate the regression coefficients of the GBLR, optimization procedures that minimize the systematic and random error of predicted atmospheric variables (wind speed, precipitation, etc.) are implemented for the modeled-observed pairs of training storms. The regression coefficients calculated for meteorological stations of the National Weather Service are interpolated back to the model domain. An analysis of forecast improvements based on error reductions during the storms will demonstrate the value of GBLR approach. This presentation will also illustrate how the variances are optimized for the training partition in GBLR and discuss the verification strategy for grid points where no observations are available. The new post-processing technique is successful in improving wind speed and precipitation storm forecasts using past event-based data and has the potential to be implemented in real-time.

Association of personality traits with oral health-related quality of life independently of objective oral health status: a study of community-dwelling elderly Japanese.

PubMed

Takeshita, Hajime; Ikebe, Kazunori; Kagawa, Ryosuke; Okada, Tadashi; Gondo, Yasuyuki; Nakagawa, Takeshi; Ishioka, Yoshiko; Inomata, Chisato; Tada, Sayaka; Matsuda, Ken-ichi; Kurushima, Yuko; Enoki, Kaori; Kamide, Kei; Masui, Yukie; Takahashi, Ryutaro; Arai, Yasumichi; Maeda, Yoshinobu

2015-03-01

Oral health-related quality of life (OHRQoL) is being increasingly used in epidemiologic studies of dentistry. However, patient-reported OHRQoL does not always coincide with clinical measures. Previous studies have shown a relationship between OHRQoL and personality, but did not concomitantly investigate oral function. We aimed to examine the association among personality traits, oral function, and OHRQoL using a large sample of community-dwelling Japanese elderly. The participants (n = 938; age, 69-71 years) were drawn from a complete enumeration of an urban area and a rural area of both the Tokyo metropolitan area and Hyogo Prefecture. The self-perceived impact of OHRQoL was measured using the Geriatric Oral Health Assessment Index (GOHAI). The oral status and socioeconomic characteristics were recorded in each participant, and personality traits (neuroticism, extraversion, openness to experience, agreeableness, and conscientiousness) were assessed with the NEO-five-factor inventory. Multiple linear regression analysis was performed to examine the relationships between OHRQoL and other factors, with p < 0.05 considered to be statistically significant. Neuroticism was negatively associated with the GOHAI score in bivariate analyses (Spearman rank-order correlation coefficient (rs )= -0.20), whereas extraversion was positively associated (rs = 0.17). In the regression analyses, neuroticism (standardized partial regression coefficient (β) = -0.179) and extraversion (β=0.094) were significantly associated with the GOHAI scores independently of the number of teeth, maximal occlusal force, and financial status. Personality traits are associated with OHRQoL independently of objective measures of oral health status in community-dwelling elderly Japanese. This study showed personality traits are associated with OHRQoL independently of dental status and oral function in old Japanese people. As elderly patients undergo increasingly complex dental treatments, there is a need to evaluate patient personality traits prior to dental treatment and predict patient expectations and responses to planned treatment. This is advantageous in determining the most appropriate therapy. Copyright © 2015 Elsevier Ltd. All rights reserved.

Comparison of exercise capacity in COPD and other etiologies of chronic respiratory failure requiring non-invasive mechanical ventilation at home: retrospective analysis of 1-year follow-up.

PubMed

Salturk, Cuneyt; Karakurt, Zuhal; Takir, Huriye Berk; Balci, Merih; Kargin, Feyza; Mocin, Ozlem Yazıcıoglu; Gungor, Gokay; Ozmen, Ipek; Oztas, Selahattin; Yalcinsoy, Murat; Evin, Ruya; Ozturk, Murat; Adiguzel, Nalan

2015-01-01

The objective of this study was to compare the change in 6-minute walking distance (6MWD) in 1 year as an indicator of exercise capacity among patients undergoing home non-invasive mechanical ventilation (NIMV) due to chronic hypercapnic respiratory failure (CHRF) caused by different etiologies. This retrospective cohort study was conducted in a tertiary pulmonary disease hospital in patients who had completed 1-year follow-up under home NIMV because of CHRF with different etiologies (ie, chronic obstructive pulmonary disease [COPD], obesity hypoventilation syndrome [OHS], kyphoscoliosis [KS], and diffuse parenchymal lung disease [DPLD]), between January 2011 and January 2012. The results of arterial blood gas (ABG) analyses and spirometry, and 6MWD measurements with 12-month interval were recorded from the patient files, in addition to demographics, comorbidities, and body mass indices. The groups were compared in terms of 6MWD via analysis of variance (ANOVA) and multiple linear regression (MLR) analysis (independent variables: analysis age, sex, baseline 6MWD, baseline forced expiratory volume in 1 second, and baseline partial carbon dioxide pressure, in reference to COPD group). A total of 105 patients with a mean age (± standard deviation) of 61±12 years of whom 37 had COPD, 34 had OHS, 20 had KS, and 14 had DPLD were included in statistical analysis. There were no significant differences between groups in the baseline and delta values of ABG and spirometry findings. Both univariate ANOVA and MLR showed that the OHS group had the lowest baseline 6MWD and the highest decrease in 1 year (linear regression coefficient -24.48; 95% CI -48.74 to -0.21, P=0.048); while the KS group had the best baseline values and the biggest improvement under home NIMV (linear regression coefficient 26.94; 95% CI -3.79 to 57.66, P=0.085). The 6MWD measurements revealed improvement in exercise capacity test in CHRF patients receiving home NIMV treatment on long-term depends on etiological diagnoses.

GEMAS: prediction of solid-solution phase partitioning coefficients (Kd) for oxoanions and boric acid in soils using mid-infrared diffuse reflectance spectroscopy.

PubMed

Janik, Leslie J; Forrester, Sean T; Soriano-Disla, José M; Kirby, Jason K; McLaughlin, Michael J; Reimann, Clemens

2015-02-01

The authors' aim was to develop rapid and inexpensive regression models for the prediction of partitioning coefficients (Kd), defined as the ratio of the total or surface-bound metal/metalloid concentration of the solid phase to the total concentration in the solution phase. Values of Kd were measured for boric acid (B[OH]3(0)) and selected added soluble oxoanions: molybdate (MoO4(2-)), antimonate (Sb[OH](6-)), selenate (SeO4(2-)), tellurate (TeO4(2-)) and vanadate (VO4(3-)). Models were developed using approximately 500 spectrally representative soils of the Geochemical Mapping of Agricultural Soils of Europe (GEMAS) program. These calibration soils represented the major properties of the entire 4813 soils of the GEMAS project. Multiple linear regression (MLR) from soil properties, partial least-squares regression (PLSR) using mid-infrared diffuse reflectance Fourier-transformed (DRIFT) spectra, and models using DRIFT spectra plus analytical pH values (DRIFT + pH), were compared with predicted log K(d + 1) values. Apart from selenate (R(2)  = 0.43), the DRIFT + pH calibrations resulted in marginally better models to predict log K(d + 1) values (R(2)  = 0.62-0.79), compared with those from PSLR-DRIFT (R(2)  = 0.61-0.72) and MLR (R(2)  = 0.54-0.79). The DRIFT + pH calibrations were applied to the prediction of log K(d + 1) values in the remaining 4313 soils. An example map of predicted log K(d + 1) values for added soluble MoO4(2-) in soils across Europe is presented. The DRIFT + pH PLSR models provided a rapid and inexpensive tool to assess the risk of mobility and potential availability of boric acid and selected oxoanions in European soils. For these models to be used in the prediction of log K(d + 1) values in soils globally, additional research will be needed to determine if soil variability is accounted on the calibration. © 2014 SETAC.

Rational trigonometric approximations using Fourier series partial sums

NASA Technical Reports Server (NTRS)

Geer, James F.

1993-01-01

A class of approximations (S(sub N,M)) to a periodic function f which uses the ideas of Pade, or rational function, approximations based on the Fourier series representation of f, rather than on the Taylor series representation of f, is introduced and studied. Each approximation S(sub N,M) is the quotient of a trigonometric polynomial of degree N and a trigonometric polynomial of degree M. The coefficients in these polynomials are determined by requiring that an appropriate number of the Fourier coefficients of S(sub N,M) agree with those of f. Explicit expressions are derived for these coefficients in terms of the Fourier coefficients of f. It is proven that these 'Fourier-Pade' approximations converge point-wise to (f(x(exp +))+f(x(exp -)))/2 more rapidly (in some cases by a factor of 1/k(exp 2M)) than the Fourier series partial sums on which they are based. The approximations are illustrated by several examples and an application to the solution of an initial, boundary value problem for the simple heat equation is presented.

Correlation and prediction of dynamic human isolated joint strength from lean body mass

NASA Technical Reports Server (NTRS)

Pandya, Abhilash K.; Hasson, Scott M.; Aldridge, Ann M.; Maida, James C.; Woolford, Barbara J.

1992-01-01

A relationship between a person's lean body mass and the amount of maximum torque that can be produced with each isolated joint of the upper extremity was investigated. The maximum dynamic isolated joint torque (upper extremity) on 14 subjects was collected using a dynamometer multi-joint testing unit. These data were reduced to a table of coefficients of second degree polynomials, computed using a least squares regression method. All the coefficients were then organized into look-up tables, a compact and convenient storage/retrieval mechanism for the data set. Data from each joint, direction and velocity, were normalized with respect to that joint's average and merged into files (one for each curve for a particular joint). Regression was performed on each one of these files to derive a table of normalized population curve coefficients for each joint axis, direction, and velocity. In addition, a regression table which included all upper extremity joints was built which related average torque to lean body mass for an individual. These two tables are the basis of the regression model which allows the prediction of dynamic isolated joint torques from an individual's lean body mass.

Relationship of extinction coefficient, air pollution, and meteorological parameters in an urban area during 2007 to 2009.

PubMed

Sabetghadam, Samaneh; Ahmadi-Givi, Farhang

2014-01-01

Light extinction, which is the extent of attenuation of light signal for every distance traveled by light in the absence of special weather conditions (e.g., fog and rain), can be expressed as the sum of scattering and absorption effects of aerosols. In this paper, diurnal and seasonal variations of the extinction coefficient are investigated for the urban areas of Tehran from 2007 to 2009. Cases of visibility impairment that were concurrent with reports of fog, mist, precipitation, or relative humidity above 90% are filtered. The mean value and standard deviation of daily extinction are 0.49 and 0.39 km(-1), respectively. The average is much higher than that in many other large cities in the world, indicating the rather poor air quality over Tehran. The extinction coefficient shows obvious diurnal variations in each season, with a peak in the morning that is more pronounced in the wintertime. Also, there is a very slight increasing trend in the annual variations of atmospheric extinction coefficient, which suggests that air quality has regressed since 2007. The horizontal extinction coefficient decreased from January to July in each year and then increased between July and December, with the maximum value in the winter. Diurnal variation of extinction is often associated with small values for low relative humidity (RH), but increases significantly at higher RH. Annual correlation analysis shows that there is a positive correlation between the extinction coefficient and RH, CO, PM10, SO2, and NO2 concentration, while negative correlation exists between the extinction and T, WS, and O3, implying their unfavorable impact on extinction variation. The extinction budget was derived from multiple regression equations using the regression coefficients. On average, 44% of the extinction is from suspended particles, 3% is from air molecules, about 5% is from NO2 absorption, 0.35% is from RH, and approximately 48% is unaccounted for, which may represent errors in the data as well as contribution of other atmospheric constituents omitted from the analysis. Stronger regression equation is achieved in the summer, meaning that the extinction is more predictable in this season using pollutant concentrations.

[Quantitative structure-gas chromatographic retention relationship of polycyclic aromatic sulfur heterocycles using molecular electronegativity-distance vector].

PubMed

Li, Zhenghua; Cheng, Fansheng; Xia, Zhining

2011-01-01

The chemical structures of 114 polycyclic aromatic sulfur heterocycles (PASHs) have been studied by molecular electronegativity-distance vector (MEDV). The linear relationships between gas chromatographic retention index and the MEDV have been established by a multiple linear regression (MLR) model. The results of variable selection by stepwise multiple regression (SMR) and the powerful predictive abilities of the optimization model appraised by leave-one-out cross-validation showed that the optimization model with the correlation coefficient (R) of 0.994 7 and the cross-validated correlation coefficient (Rcv) of 0.994 0 possessed the best statistical quality. Furthermore, when the 114 PASHs compounds were divided into calibration and test sets in the ratio of 2:1, the statistical analysis showed our models possesses almost equal statistical quality, the very similar regression coefficients and the good robustness. The quantitative structure-retention relationship (QSRR) model established may provide a convenient and powerful method for predicting the gas chromatographic retention of PASHs.

Cerebrospinal fluid norepinephrine and cognition in subjects across the adult age span

PubMed Central

Wang, Lucy Y.; Murphy, Richard R.; Hanscom, Brett; Li, Ge; Millard, Steven P.; Petrie, Eric C.; Galasko, Douglas R.; Sikkema, Carl; Raskind, Murray A.; Wilkinson, Charles W.; Peskind, Elaine R.

2013-01-01

Adequate central nervous system noradrenergic activity enhances cognition, but excessive noradrenergic activity may have adverse effects on cognition. Previous studies have also demonstrated that noradrenergic activity is higher in older than younger adults. We aimed to determine relationships between cerebrospinal fluid (CSF) norepinephrine (NE) concentration and cognitive performance by using data from a CSF bank that includes samples from 258 cognitively normal participants aged 21–100 years. After adjusting for age, gender, education, and ethnicity, higher CSF NE levels (units of 100 pg/mL) are associated with poorer performance on tests of attention, processing speed, and executive function (Trail Making A: regression coefficient 1.5, standard error [SE] 0.77, p = 0.046; Trail Making B: regression coefficient 5.0, SE 2.2, p = 0.024; Stroop Word-Color Interference task: regression coefficient 6.1, SE 2.0, p = 0.003). Findings are consistent with the earlier literature relating excess noradrenergic activity with cognitive impairment. PMID:23639207

Cerebrospinal fluid norepinephrine and cognition in subjects across the adult age span.

PubMed

Wang, Lucy Y; Murphy, Richard R; Hanscom, Brett; Li, Ge; Millard, Steven P; Petrie, Eric C; Galasko, Douglas R; Sikkema, Carl; Raskind, Murray A; Wilkinson, Charles W; Peskind, Elaine R

2013-10-01

Adequate central nervous system noradrenergic activity enhances cognition, but excessive noradrenergic activity may have adverse effects on cognition. Previous studies have also demonstrated that noradrenergic activity is higher in older than younger adults. We aimed to determine relationships between cerebrospinal fluid (CSF) norepinephrine (NE) concentration and cognitive performance by using data from a CSF bank that includes samples from 258 cognitively normal participants aged 21-100 years. After adjusting for age, gender, education, and ethnicity, higher CSF NE levels (units of 100 pg/mL) are associated with poorer performance on tests of attention, processing speed, and executive function (Trail Making A: regression coefficient 1.5, standard error [SE] 0.77, p = 0.046; Trail Making B: regression coefficient 5.0, SE 2.2, p = 0.024; Stroop Word-Color Interference task: regression coefficient 6.1, SE 2.0, p = 0.003). Findings are consistent with the earlier literature relating excess noradrenergic activity with cognitive impairment. Published by Elsevier Inc.

Non-Asymptotic Oracle Inequalities for the High-Dimensional Cox Regression via Lasso.

PubMed

Kong, Shengchun; Nan, Bin

2014-01-01

We consider finite sample properties of the regularized high-dimensional Cox regression via lasso. Existing literature focuses on linear models or generalized linear models with Lipschitz loss functions, where the empirical risk functions are the summations of independent and identically distributed (iid) losses. The summands in the negative log partial likelihood function for censored survival data, however, are neither iid nor Lipschitz.We first approximate the negative log partial likelihood function by a sum of iid non-Lipschitz terms, then derive the non-asymptotic oracle inequalities for the lasso penalized Cox regression using pointwise arguments to tackle the difficulties caused by lacking iid Lipschitz losses.

Non-Asymptotic Oracle Inequalities for the High-Dimensional Cox Regression via Lasso

PubMed Central

Kong, Shengchun; Nan, Bin

2013-01-01

We consider finite sample properties of the regularized high-dimensional Cox regression via lasso. Existing literature focuses on linear models or generalized linear models with Lipschitz loss functions, where the empirical risk functions are the summations of independent and identically distributed (iid) losses. The summands in the negative log partial likelihood function for censored survival data, however, are neither iid nor Lipschitz.We first approximate the negative log partial likelihood function by a sum of iid non-Lipschitz terms, then derive the non-asymptotic oracle inequalities for the lasso penalized Cox regression using pointwise arguments to tackle the difficulties caused by lacking iid Lipschitz losses. PMID:24516328

Quality assessment of gasoline using comprehensive two-dimensional gas chromatography combined with unfolded partial least squares: A reliable approach for the detection of gasoline adulteration.

PubMed

Parastar, Hadi; Mostafapour, Sara; Azimi, Gholamhasan

2016-01-01

Comprehensive two-dimensional gas chromatography and flame ionization detection combined with unfolded-partial least squares is proposed as a simple, fast and reliable method to assess the quality of gasoline and to detect its potential adulterants. The data for the calibration set are first baseline corrected using a two-dimensional asymmetric least squares algorithm. The number of significant partial least squares components to build the model is determined using the minimum value of root-mean square error of leave-one out cross validation, which was 4. In this regard, blends of gasoline with kerosene, white spirit and paint thinner as frequently used adulterants are used to make calibration samples. Appropriate statistical parameters of regression coefficient of 0.996-0.998, root-mean square error of prediction of 0.005-0.010 and relative error of prediction of 1.54-3.82% for the calibration set show the reliability of the developed method. In addition, the developed method is externally validated with three samples in validation set (with a relative error of prediction below 10.0%). Finally, to test the applicability of the proposed strategy for the analysis of real samples, five real gasoline samples collected from gas stations are used for this purpose and the gasoline proportions were in range of 70-85%. Also, the relative standard deviations were below 8.5% for different samples in the prediction set. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Identification and Severity Determination of Wheat Stripe Rust and Wheat Leaf Rust Based on Hyperspectral Data Acquired Using a Black-Paper-Based Measuring Method.

PubMed

Wang, Hui; Qin, Feng; Ruan, Liu; Wang, Rui; Liu, Qi; Ma, Zhanhong; Li, Xiaolong; Cheng, Pei; Wang, Haiguang

2016-01-01

It is important to implement detection and assessment of plant diseases based on remotely sensed data for disease monitoring and control. Hyperspectral data of healthy leaves, leaves in incubation period and leaves in diseased period of wheat stripe rust and wheat leaf rust were collected under in-field conditions using a black-paper-based measuring method developed in this study. After data preprocessing, the models to identify the diseases were built using distinguished partial least squares (DPLS) and support vector machine (SVM), and the disease severity inversion models of stripe rust and the disease severity inversion models of leaf rust were built using quantitative partial least squares (QPLS) and support vector regression (SVR). All the models were validated by using leave-one-out cross validation and external validation. The diseases could be discriminated using both distinguished partial least squares and support vector machine with the accuracies of more than 99%. For each wheat rust, disease severity levels were accurately retrieved using both the optimal QPLS models and the optimal SVR models with the coefficients of determination (R2) of more than 0.90 and the root mean square errors (RMSE) of less than 0.15. The results demonstrated that identification and severity evaluation of stripe rust and leaf rust at the leaf level could be implemented based on the hyperspectral data acquired using the developed method. A scientific basis was provided for implementing disease monitoring by using aerial and space remote sensing technologies.

Identification and Severity Determination of Wheat Stripe Rust and Wheat Leaf Rust Based on Hyperspectral Data Acquired Using a Black-Paper-Based Measuring Method

PubMed Central

Ruan, Liu; Wang, Rui; Liu, Qi; Ma, Zhanhong; Li, Xiaolong; Cheng, Pei; Wang, Haiguang

2016-01-01

It is important to implement detection and assessment of plant diseases based on remotely sensed data for disease monitoring and control. Hyperspectral data of healthy leaves, leaves in incubation period and leaves in diseased period of wheat stripe rust and wheat leaf rust were collected under in-field conditions using a black-paper-based measuring method developed in this study. After data preprocessing, the models to identify the diseases were built using distinguished partial least squares (DPLS) and support vector machine (SVM), and the disease severity inversion models of stripe rust and the disease severity inversion models of leaf rust were built using quantitative partial least squares (QPLS) and support vector regression (SVR). All the models were validated by using leave-one-out cross validation and external validation. The diseases could be discriminated using both distinguished partial least squares and support vector machine with the accuracies of more than 99%. For each wheat rust, disease severity levels were accurately retrieved using both the optimal QPLS models and the optimal SVR models with the coefficients of determination (R2) of more than 0.90 and the root mean square errors (RMSE) of less than 0.15. The results demonstrated that identification and severity evaluation of stripe rust and leaf rust at the leaf level could be implemented based on the hyperspectral data acquired using the developed method. A scientific basis was provided for implementing disease monitoring by using aerial and space remote sensing technologies. PMID:27128464

Determining Sample Size for Accurate Estimation of the Squared Multiple Correlation Coefficient.

ERIC Educational Resources Information Center

Algina, James; Olejnik, Stephen

2000-01-01

Discusses determining sample size for estimation of the squared multiple correlation coefficient and presents regression equations that permit determination of the sample size for estimating this parameter for up to 20 predictor variables. (SLD)

Facial convective heat exchange coefficients in cold and windy environments estimated from human experiments

NASA Astrophysics Data System (ADS)

Ben Shabat, Yael; Shitzer, Avraham

2012-07-01

Facial heat exchange convection coefficients were estimated from experimental data in cold and windy ambient conditions applicable to wind chill calculations. Measured facial temperature datasets, that were made available to this study, originated from 3 separate studies involving 18 male and 6 female subjects. Most of these data were for a -10°C ambient environment and wind speeds in the range of 0.2 to 6 m s-1. Additional single experiments were for -5°C, 0°C and 10°C environments and wind speeds in the same range. Convection coefficients were estimated for all these conditions by means of a numerical facial heat exchange model, applying properties of biological tissues and a typical facial diameter of 0.18 m. Estimation was performed by adjusting the guessed convection coefficients in the computed facial temperatures, while comparing them to measured data, to obtain a satisfactory fit ( r 2 > 0.98, in most cases). In one of the studies, heat flux meters were additionally used. Convection coefficients derived from these meters closely approached the estimated values for only the male subjects. They differed significantly, by about 50%, when compared to the estimated female subjects' data. Regression analysis was performed for just the -10°C ambient temperature, and the range of experimental wind speeds, due to the limited availability of data for other ambient temperatures. The regressed equation was assumed in the form of the equation underlying the "new" wind chill chart. Regressed convection coefficients, which closely duplicated the measured data, were consistently higher than those calculated by this equation, except for one single case. The estimated and currently used convection coefficients are shown to diverge exponentially from each other, as wind speed increases. This finding casts considerable doubts on the validity of the convection coefficients that are used in the computation of the "new" wind chill chart and their applicability to humans in cold and windy environments.

Facial convective heat exchange coefficients in cold and windy environments estimated from human experiments.

PubMed

Ben Shabat, Yael; Shitzer, Avraham

2012-07-01

Facial heat exchange convection coefficients were estimated from experimental data in cold and windy ambient conditions applicable to wind chill calculations. Measured facial temperature datasets, that were made available to this study, originated from 3 separate studies involving 18 male and 6 female subjects. Most of these data were for a -10°C ambient environment and wind speeds in the range of 0.2 to 6 m s(-1). Additional single experiments were for -5°C, 0°C and 10°C environments and wind speeds in the same range. Convection coefficients were estimated for all these conditions by means of a numerical facial heat exchange model, applying properties of biological tissues and a typical facial diameter of 0.18 m. Estimation was performed by adjusting the guessed convection coefficients in the computed facial temperatures, while comparing them to measured data, to obtain a satisfactory fit (r(2) > 0.98, in most cases). In one of the studies, heat flux meters were additionally used. Convection coefficients derived from these meters closely approached the estimated values for only the male subjects. They differed significantly, by about 50%, when compared to the estimated female subjects' data. Regression analysis was performed for just the -10°C ambient temperature, and the range of experimental wind speeds, due to the limited availability of data for other ambient temperatures. The regressed equation was assumed in the form of the equation underlying the "new" wind chill chart. Regressed convection coefficients, which closely duplicated the measured data, were consistently higher than those calculated by this equation, except for one single case. The estimated and currently used convection coefficients are shown to diverge exponentially from each other, as wind speed increases. This finding casts considerable doubts on the validity of the convection coefficients that are used in the computation of the "new" wind chill chart and their applicability to humans in cold and windy environments.

Comparison of regression coefficient and GIS-based methodologies for regional estimates of forest soil carbon stocks.

PubMed

Campbell, J Elliott; Moen, Jeremie C; Ney, Richard A; Schnoor, Jerald L

2008-03-01

Estimates of forest soil organic carbon (SOC) have applications in carbon science, soil quality studies, carbon sequestration technologies, and carbon trading. Forest SOC has been modeled using a regression coefficient methodology that applies mean SOC densities (mass/area) to broad forest regions. A higher resolution model is based on an approach that employs a geographic information system (GIS) with soil databases and satellite-derived landcover images. Despite this advancement, the regression approach remains the basis of current state and federal level greenhouse gas inventories. Both approaches are analyzed in detail for Wisconsin forest soils from 1983 to 2001, applying rigorous error-fixing algorithms to soil databases. Resulting SOC stock estimates are 20% larger when determined using the GIS method rather than the regression approach. Average annual rates of increase in SOC stocks are 3.6 and 1.0 million metric tons of carbon per year for the GIS and regression approaches respectively.

Radon-222 concentrations in ground water and soil gas on Indian reservations in Wisconsin

USGS Publications Warehouse

DeWild, John F.; Krohelski, James T.

1995-01-01

For sites with wells finished in the sand and gravel aquifer, the coefficient of determination (R2) of the regression of concentration of radon-222 in ground water as a function of well depth is 0.003 and the significance level is 0.32, which indicates that there is not a statistically significant relation between radon-222 concentrations in ground water and well depth. The coefficient of determination of the regression of radon-222 in ground water and soil gas is 0.19 and the root mean square error of the regression line is 271 picocuries per liter. Even though the significance level (0.036) indicates a statistical relation, the root mean square error of the regression is so large that the regression equation would not give reliable predictions. Because of an inadequate number of samples, similar statistical analyses could not be performed for sites with wells finished in the crystalline and sedimentary bedrock aquifers.

Modeling Group Differences in OLS and Orthogonal Regression: Implications for Differential Validity Studies

ERIC Educational Resources Information Center

Kane, Michael T.; Mroch, Andrew A.

2010-01-01

In evaluating the relationship between two measures across different groups (i.e., in evaluating "differential validity") it is necessary to examine differences in correlation coefficients and in regression lines. Ordinary least squares (OLS) regression is the standard method for fitting lines to data, but its criterion for optimal fit…

Incremental Net Effects in Multiple Regression

ERIC Educational Resources Information Center

Lipovetsky, Stan; Conklin, Michael

2005-01-01

A regular problem in regression analysis is estimating the comparative importance of the predictors in the model. This work considers the 'net effects', or shares of the predictors in the coefficient of the multiple determination, which is a widely used characteristic of the quality of a regression model. Estimation of the net effects can be a…

Simple and multiple linear regression: sample size considerations.

PubMed

Hanley, James A

2016-11-01

The suggested "two subjects per variable" (2SPV) rule of thumb in the Austin and Steyerberg article is a chance to bring out some long-established and quite intuitive sample size considerations for both simple and multiple linear regression. This article distinguishes two of the major uses of regression models that imply very different sample size considerations, neither served well by the 2SPV rule. The first is etiological research, which contrasts mean Y levels at differing "exposure" (X) values and thus tends to focus on a single regression coefficient, possibly adjusted for confounders. The second research genre guides clinical practice. It addresses Y levels for individuals with different covariate patterns or "profiles." It focuses on the profile-specific (mean) Y levels themselves, estimating them via linear compounds of regression coefficients and covariates. By drawing on long-established closed-form variance formulae that lie beneath the standard errors in multiple regression, and by rearranging them for heuristic purposes, one arrives at quite intuitive sample size considerations for both research genres. Copyright © 2016 Elsevier Inc. All rights reserved.

Panel regressions to estimate low-flow response to rainfall variability in ungaged basins

USGS Publications Warehouse

Bassiouni, Maoya; Vogel, Richard M.; Archfield, Stacey A.

2016-01-01

Multicollinearity and omitted-variable bias are major limitations to developing multiple linear regression models to estimate streamflow characteristics in ungaged areas and varying rainfall conditions. Panel regression is used to overcome limitations of traditional regression methods, and obtain reliable model coefficients, in particular to understand the elasticity of streamflow to rainfall. Using annual rainfall and selected basin characteristics at 86 gaged streams in the Hawaiian Islands, regional regression models for three stream classes were developed to estimate the annual low-flow duration discharges. Three panel-regression structures (random effects, fixed effects, and pooled) were compared to traditional regression methods, in which space is substituted for time. Results indicated that panel regression generally was able to reproduce the temporal behavior of streamflow and reduce the standard errors of model coefficients compared to traditional regression, even for models in which the unobserved heterogeneity between streams is significant and the variance inflation factor for rainfall is much greater than 10. This is because both spatial and temporal variability were better characterized in panel regression. In a case study, regional rainfall elasticities estimated from panel regressions were applied to ungaged basins on Maui, using available rainfall projections to estimate plausible changes in surface-water availability and usable stream habitat for native species. The presented panel-regression framework is shown to offer benefits over existing traditional hydrologic regression methods for developing robust regional relations to investigate streamflow response in a changing climate.

Panel regressions to estimate low-flow response to rainfall variability in ungaged basins

NASA Astrophysics Data System (ADS)

Bassiouni, Maoya; Vogel, Richard M.; Archfield, Stacey A.

2016-12-01

Multicollinearity and omitted-variable bias are major limitations to developing multiple linear regression models to estimate streamflow characteristics in ungaged areas and varying rainfall conditions. Panel regression is used to overcome limitations of traditional regression methods, and obtain reliable model coefficients, in particular to understand the elasticity of streamflow to rainfall. Using annual rainfall and selected basin characteristics at 86 gaged streams in the Hawaiian Islands, regional regression models for three stream classes were developed to estimate the annual low-flow duration discharges. Three panel-regression structures (random effects, fixed effects, and pooled) were compared to traditional regression methods, in which space is substituted for time. Results indicated that panel regression generally was able to reproduce the temporal behavior of streamflow and reduce the standard errors of model coefficients compared to traditional regression, even for models in which the unobserved heterogeneity between streams is significant and the variance inflation factor for rainfall is much greater than 10. This is because both spatial and temporal variability were better characterized in panel regression. In a case study, regional rainfall elasticities estimated from panel regressions were applied to ungaged basins on Maui, using available rainfall projections to estimate plausible changes in surface-water availability and usable stream habitat for native species. The presented panel-regression framework is shown to offer benefits over existing traditional hydrologic regression methods for developing robust regional relations to investigate streamflow response in a changing climate.

Sparse brain network using penalized linear regression

NASA Astrophysics Data System (ADS)

Lee, Hyekyoung; Lee, Dong Soo; Kang, Hyejin; Kim, Boong-Nyun; Chung, Moo K.

2011-03-01

Sparse partial correlation is a useful connectivity measure for brain networks when it is difficult to compute the exact partial correlation in the small-n large-p setting. In this paper, we formulate the problem of estimating partial correlation as a sparse linear regression with a l1-norm penalty. The method is applied to brain network consisting of parcellated regions of interest (ROIs), which are obtained from FDG-PET images of the autism spectrum disorder (ASD) children and the pediatric control (PedCon) subjects. To validate the results, we check their reproducibilities of the obtained brain networks by the leave-one-out cross validation and compare the clustered structures derived from the brain networks of ASD and PedCon.

Variable selection in near-infrared spectroscopy: benchmarking of feature selection methods on biodiesel data.

PubMed

Balabin, Roman M; Smirnov, Sergey V

2011-04-29

During the past several years, near-infrared (near-IR/NIR) spectroscopy has increasingly been adopted as an analytical tool in various fields from petroleum to biomedical sectors. The NIR spectrum (above 4000 cm(-1)) of a sample is typically measured by modern instruments at a few hundred of wavelengths. Recently, considerable effort has been directed towards developing procedures to identify variables (wavelengths) that contribute useful information. Variable selection (VS) or feature selection, also called frequency selection or wavelength selection, is a critical step in data analysis for vibrational spectroscopy (infrared, Raman, or NIRS). In this paper, we compare the performance of 16 different feature selection methods for the prediction of properties of biodiesel fuel, including density, viscosity, methanol content, and water concentration. The feature selection algorithms tested include stepwise multiple linear regression (MLR-step), interval partial least squares regression (iPLS), backward iPLS (BiPLS), forward iPLS (FiPLS), moving window partial least squares regression (MWPLS), (modified) changeable size moving window partial least squares (CSMWPLS/MCSMWPLSR), searching combination moving window partial least squares (SCMWPLS), successive projections algorithm (SPA), uninformative variable elimination (UVE, including UVE-SPA), simulated annealing (SA), back-propagation artificial neural networks (BP-ANN), Kohonen artificial neural network (K-ANN), and genetic algorithms (GAs, including GA-iPLS). Two linear techniques for calibration model building, namely multiple linear regression (MLR) and partial least squares regression/projection to latent structures (PLS/PLSR), are used for the evaluation of biofuel properties. A comparison with a non-linear calibration model, artificial neural networks (ANN-MLP), is also provided. Discussion of gasoline, ethanol-gasoline (bioethanol), and diesel fuel data is presented. The results of other spectroscopic techniques application, such as Raman, ultraviolet-visible (UV-vis), or nuclear magnetic resonance (NMR) spectroscopies, can be greatly improved by an appropriate feature selection choice. Copyright © 2011 Elsevier B.V. All rights reserved.

Modifying Spearman's Attenuation Equation to Yield Partial Corrections for Measurement Error--With Application to Sample Size Calculations

ERIC Educational Resources Information Center

Nicewander, W. Alan

2018-01-01

Spearman's correction for attenuation (measurement error) corrects a correlation coefficient for measurement errors in either-or-both of two variables, and follows from the assumptions of classical test theory. Spearman's equation removes all measurement error from a correlation coefficient which translates into "increasing the reliability of…

An empirical study of statistical properties of variance partition coefficients for multi-level logistic regression models

USGS Publications Warehouse

Li, Ji; Gray, B.R.; Bates, D.M.

2008-01-01

Partitioning the variance of a response by design levels is challenging for binomial and other discrete outcomes. Goldstein (2003) proposed four definitions for variance partitioning coefficients (VPC) under a two-level logistic regression model. In this study, we explicitly derived formulae for multi-level logistic regression model and subsequently studied the distributional properties of the calculated VPCs. Using simulations and a vegetation dataset, we demonstrated associations between different VPC definitions, the importance of methods for estimating VPCs (by comparing VPC obtained using Laplace and penalized quasilikehood methods), and bivariate dependence between VPCs calculated at different levels. Such an empirical study lends an immediate support to wider applications of VPC in scientific data analysis.

Interquantile Shrinkage in Regression Models

PubMed Central

Jiang, Liewen; Wang, Huixia Judy; Bondell, Howard D.

2012-01-01

Conventional analysis using quantile regression typically focuses on fitting the regression model at different quantiles separately. However, in situations where the quantile coefficients share some common feature, joint modeling of multiple quantiles to accommodate the commonality often leads to more efficient estimation. One example of common features is that a predictor may have a constant effect over one region of quantile levels but varying effects in other regions. To automatically perform estimation and detection of the interquantile commonality, we develop two penalization methods. When the quantile slope coefficients indeed do not change across quantile levels, the proposed methods will shrink the slopes towards constant and thus improve the estimation efficiency. We establish the oracle properties of the two proposed penalization methods. Through numerical investigations, we demonstrate that the proposed methods lead to estimations with competitive or higher efficiency than the standard quantile regression estimation in finite samples. Supplemental materials for the article are available online. PMID:24363546

A graphical method to evaluate spectral preprocessing in multivariate regression calibrations: example with Savitzky-Golay filters and partial least squares regression

USDA-ARS?s Scientific Manuscript database

In multivariate regression analysis of spectroscopy data, spectral preprocessing is often performed to reduce unwanted background information (offsets, sloped baselines) or accentuate absorption features in intrinsically overlapping bands. These procedures, also known as pretreatments, are commonly ...

Remote sensing of PM2.5 from ground-based optical measurements

NASA Astrophysics Data System (ADS)

Li, S.; Joseph, E.; Min, Q.

2014-12-01

Remote sensing of particulate matter concentration with aerodynamic diameter smaller than 2.5 um(PM2.5) by using ground-based optical measurements of aerosols is investigated based on 6 years of hourly average measurements of aerosol optical properties, PM2.5, ceilometer backscatter coefficients and meteorological factors from Howard University Beltsville Campus facility (HUBC). The accuracy of quantitative retrieval of PM2.5 using aerosol optical depth (AOD) is limited due to changes in aerosol size distribution and vertical distribution. In this study, ceilometer backscatter coefficients are used to provide vertical information of aerosol. It is found that the PM2.5-AOD ratio can vary largely for different aerosol vertical distributions. The ratio is also sensitive to mode parameters of bimodal lognormal aerosol size distribution when the geometric mean radius for the fine mode is small. Using two Angstrom exponents calculated at three wavelengths of 415, 500, 860nm are found better representing aerosol size distributions than only using one Angstrom exponent. A regression model is proposed to assess the impacts of different factors on the retrieval of PM2.5. Compared to a simple linear regression model, the new model combining AOD and ceilometer backscatter can prominently improve the fitting of PM2.5. The contribution of further introducing Angstrom coefficients is apparent. Using combined measurements of AOD, ceilometer backscatter, Angstrom coefficients and meteorological parameters in the regression model can get a correlation coefficient of 0.79 between fitted and expected PM2.5.

Point Defect Structure of Cr203

DTIC Science & Technology

1987-10-01

Calculation of Electron Hole Mobility ........................ 104 6.2.3 Construction of the Defect Concentration vs. Oxygen Pressure Diagram...1000’ to 16000C ............ 123 7.7 Calculated diffusion coefficient vs. oxygen partial pressure diagram for pure Cr203 at 1100 0 C...127 7.10 Calculated parabolic rate constant vs. oxygen partial pressure diagram for pure Cr203 at

Rapid and non-destructive identification of water-injected beef samples using multispectral imaging analysis.

PubMed

Liu, Jinxia; Cao, Yue; Wang, Qiu; Pan, Wenjuan; Ma, Fei; Liu, Changhong; Chen, Wei; Yang, Jianbo; Zheng, Lei

2016-01-01

Water-injected beef has aroused public concern as a major food-safety issue in meat products. In the study, the potential of multispectral imaging analysis in the visible and near-infrared (405-970 nm) regions was evaluated for identifying water-injected beef. A multispectral vision system was used to acquire images of beef injected with up to 21% content of water, and partial least squares regression (PLSR) algorithm was employed to establish prediction model, leading to quantitative estimations of actual water increase with a correlation coefficient (r) of 0.923. Subsequently, an optimized model was achieved by integrating spectral data with feature information extracted from ordinary RGB data, yielding better predictions (r = 0.946). Moreover, the prediction equation was transferred to each pixel within the images for visualizing the distribution of actual water increase. These results demonstrate the capability of multispectral imaging technology as a rapid and non-destructive tool for the identification of water-injected beef. Copyright © 2015 Elsevier Ltd. All rights reserved.

Determination of whey adulteration in milk powder by using laser induced breakdown spectroscopy.

PubMed

Bilge, Gonca; Sezer, Banu; Eseller, Kemal Efe; Berberoglu, Halil; Topcu, Ali; Boyaci, Ismail Hakki

2016-12-01

A rapid and in situ method has been developed to detect and quantify adulterated milk powder through adding whey powder by using laser induced breakdown spectroscopy (LIBS). The methodology is based on elemental composition differences between milk and whey products. Milk powder, sweet and acid whey powders were produced as standard samples, and milk powder was adulterated with whey powders. Based on LIBS spectra of standard samples and commercial products, species was identified using principle component analysis (PCA) method, and discrimination rate of milk and whey powders was found as 80.5%. Calibration curves were obtained with partial least squares regression (PLS). Correlation coefficient (R(2)) and limit of detection (LOD) values were 0.981 and 1.55% for adulteration with sweet whey powder, and 0.985 and 0.55% for adulteration with acid whey powder, respectively. The results were found to be consistent with the data from inductively coupled plasma - mass spectrometer (ICP-MS) method. Copyright © 2016 Elsevier Ltd. All rights reserved.

New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR).

PubMed

Genisheva, Z; Quintelas, C; Mesquita, D P; Ferreira, E C; Oliveira, J M; Amaral, A L

2018-04-25

This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435 cm -1 to 6357 cm -1 . Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R 2 ) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. Copyright © 2017 Elsevier Ltd. All rights reserved.

Liquid detection with InGaAsP semiconductor lasers having multiple short external cavities.

PubMed

Zhu, X; Cassidy, D T

1996-08-20

A liquid detection system consisting of a diode laser with multiple short external cavities (MSXC's) is reported. The MSXC diode laser operates single mode on one of 18 distinct modes that span a range of 72 nm. We selected the modes by setting the length of one of the external cavities using a piezoelectric positioner. One can measure the transmission through cells by modulating the injection current at audio frequencies and using phase-sensitive detection to reject the ambient light and reduce 1/f noise. A method to determine regions of single-mode operation by the rms of the output of the laser is described. The transmission data were processed by multivariate calibration techniques, i.e., partial least squares and principal component regression. Water concentration in acetone was used to demonstrate the performance of the system. A correlation coefficient of R(2) = 0.997 and 0.29% root-mean-square error of prediction are found for water concentration over the range of 2-19%.

Predicting soil quality indices with near infrared analysis in a wildfire chronosequence.

PubMed

Cécillon, Lauric; Cassagne, Nathalie; Czarnes, Sonia; Gros, Raphaël; Vennetier, Michel; Brun, Jean-Jacques

2009-01-15

We investigated the power of near infrared (NIR) analysis for the quantitative assessment of soil quality in a wildfire chronosequence. The effect of wildfire disturbance and soil engineering activity of earthworms on soil organic matter quality was first assessed with principal component analysis of NIR spectra. Three soil quality indices were further calculated using an adaptation of the method proposed by Velasquez et al. [Velasquez, E., Lavelle, P., Andrade, M. GISQ, a multifunctional indicator of soil quality. Soil Biol Biochem 2007; 39: 3066-3080.], each one addressing an ecosystem service provided by soils: organic matter storage, nutrient supply and biological activity. Partial least squares regression models were developed to test the predicting ability of NIR analysis for these soil quality indices. All models reached coefficients of determination above 0.90 and ratios of performance to deviation above 2.8. This finding provides new opportunities for the monitoring of soil quality, using NIR scanning of soil samples.

Rapid monitoring of the fermentation process for Korean traditional rice wine 'Makgeolli' using FT-NIR spectroscopy

NASA Astrophysics Data System (ADS)

Kim, Dae-Yong; Cho, Byoung-Kwan

2015-11-01

The quality parameters of the Korean traditional rice wine "Makgeolli" were monitored using Fourier transform near-infrared (FT-NIR) spectroscopy with multivariate statistical analysis (MSA) during fermentation. Alcohol, reducing sugar, and titratable acid were the parameters assessed to determine the quality index of fermentation substrates and products. The acquired spectra were analyzed with partial least squares regression (PLSR). The best prediction model for alcohol was obtained with maximum normalization, showing a coefficient of determination (Rp2) of 0.973 and a standard error of prediction (SEP) of 0.760%. In addition, the best prediction model for reducing sugar was obtained with no data preprocessing, with a Rp2 value of 0.945 and a SEP of 1.233%. The prediction of titratable acidity was best with mean normalization, showing a Rp2 value of 0.882 and a SEP of 0.045%. These results demonstrate that FT-NIR spectroscopy can be used for rapid measurements of quality parameters during Makgeolli fermentation.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

PubMed

Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

2013-10-15

The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

Development of predictive models for total phenolics and free p-coumaric acid contents in barley grain by near-infrared spectroscopy.

PubMed

Han, Zhigang; Cai, Shengguan; Zhang, Xuelei; Qian, Qiufeng; Huang, Yuqing; Dai, Fei; Zhang, Guoping

2017-07-15

Barley grains are rich in phenolic compounds, which are associated with reduced risk of chronic diseases. Development of barley cultivars with high phenolic acid content has become one of the main objectives in breeding programs. A rapid and accurate method for measuring phenolic compounds would be helpful for crop breeding. We developed predictive models for both total phenolics (TPC) and p-coumaric acid (PA), based on near-infrared spectroscopy (NIRS) analysis. Regressions of partial least squares (PLS) and least squares support vector machine (LS-SVM) were compared for improving the models, and Monte Carlo-Uninformative Variable Elimination (MC-UVE) was applied to select informative wavelengths. The optimal calibration models generated high coefficients of correlation (r pre ) and ratio performance deviation (RPD) for TPC and PA. These results indicated the models are suitable for rapid determination of phenolic compounds in barley grains. Copyright © 2017 Elsevier Ltd. All rights reserved.

A rapid Fourier-transform infrared (FTIR) spectroscopic method for direct quantification of paracetamol content in solid pharmaceutical formulations

NASA Astrophysics Data System (ADS)

Mallah, Muhammad Ali; Sherazi, Syed Tufail Hussain; Bhanger, Muhammad Iqbal; Mahesar, Sarfaraz Ahmed; Bajeer, Muhammad Ashraf

2015-04-01

A transmission FTIR spectroscopic method was developed for direct, inexpensive and fast quantification of paracetamol content in solid pharmaceutical formulations. In this method paracetamol content is directly analyzed without solvent extraction. KBr pellets were formulated for the acquisition of FTIR spectra in transmission mode. Two chemometric models: simple Beer's law and partial least squares employed over the spectral region of 1800-1000 cm-1 for quantification of paracetamol content had a regression coefficient of (R2) of 0.999. The limits of detection and quantification using FTIR spectroscopy were 0.005 mg g-1 and 0.018 mg g-1, respectively. Study for interference was also done to check effect of the excipients. There was no significant interference from the sample matrix. The results obviously showed the sensitivity of transmission FTIR spectroscopic method for pharmaceutical analysis. This method is green in the sense that it does not require large volumes of hazardous solvents or long run times and avoids prior sample preparation.

Spatially resolved regression analysis of pre-treatment FDG, FLT and Cu-ATSM PET from post-treatment FDG PET: an exploratory study

PubMed Central

Bowen, Stephen R; Chappell, Richard J; Bentzen, Søren M; Deveau, Michael A; Forrest, Lisa J; Jeraj, Robert

2012-01-01

Purpose To quantify associations between pre-radiotherapy and post-radiotherapy PET parameters via spatially resolved regression. Materials and methods Ten canine sinonasal cancer patients underwent PET/CT scans of [18F]FDG (FDGpre), [18F]FLT (FLTpre), and [61Cu]Cu-ATSM (Cu-ATSMpre). Following radiotherapy regimens of 50 Gy in 10 fractions, veterinary patients underwent FDG PET/CT scans at three months (FDGpost). Regression of standardized uptake values in baseline FDGpre, FLTpre and Cu-ATSMpre tumour voxels to those in FDGpost images was performed for linear, log-linear, generalized-linear and mixed-fit linear models. Goodness-of-fit in regression coefficients was assessed by R2. Hypothesis testing of coefficients over the patient population was performed. Results Multivariate linear model fits of FDGpre to FDGpost were significantly positive over the population (FDGpost~0.17 FDGpre, p=0.03), and classified slopes of RECIST non-responders and responders to be different (0.37 vs. 0.07, p=0.01). Generalized-linear model fits related FDGpre to FDGpost by a linear power law (FDGpost~FDGpre0.93, p<0.001). Univariate mixture model fits of FDGpre improved R2 from 0.17 to 0.52. Neither baseline FLT PET nor Cu-ATSM PET uptake contributed statistically significant multivariate regression coefficients. Conclusions Spatially resolved regression analysis indicates that pre-treatment FDG PET uptake is most strongly associated with three-month post-treatment FDG PET uptake in this patient population, though associations are histopathology-dependent. PMID:22682748

Correlation between structure, retention, property, and activity of biologically relevant 1,7-bis(aminoalkyl)diazachrysene derivatives.

PubMed

Šegan, Sandra; Trifković, Jelena; Verbić, Tatjana; Opsenica, Dejan; Zlatović, Mario; Burnett, James; Šolaja, Bogdan; Milojković-Opsenica, Dušanka

2013-01-01

The physicochemical properties, retention parameters (R(M)(0)), partition coefficients (logP(OW)), and pK(a) values for a series of thirteen 1,7-bis(aminoalkyl) diazachrysene (1,7-DAAC) derivatives were determined in order to reveal the characteristics responsible for their biological behavior. The investigated compounds inhibit three unrelated pathogens (the Botulinum neurotoxin serotype A light chain (BoNT/A LC), Plasmodium falciparum malaria, and Ebola filovirus) via three different mechanisms of action. To determine the most influential factors governing the retention and activities of the investigated diazachrysenes, R(M)(0), logP(OW), and biological activity values were correlated with 2D and 3D molecular descriptors, using a partial least squares regression. The resulting quantitative structure-retention (property) relationships indicate the importance of descriptors related to the hydrophobicity of the molecules (e.g., predicted partition coefficients and hydrophobic surface area). Quantitative structure-activity relationship models for describing biological activity against the BoNT/A LC and malarial strains also include overall compound polarity, electron density distribution, and proton donor/acceptor potential. Furthermore, models for Ebola filovirus inhibition are presented qualitatively to provide insights into parameters that may contribute to the compounds' antiviral activities. Overall, the models form the basis for selecting structural features that significantly affect the compound's absorption, distribution, metabolism, excretion, and toxicity profiles. Copyright © 2012 Elsevier B.V. All rights reserved.

Prediction of anticancer property of bowsellic acid derivatives by quantitative structure activity relationship analysis and molecular docking study.

PubMed

Satpathy, Raghunath; Guru, R K; Behera, R; Nayak, B

2015-01-01

Boswellic acid consists of a series of pentacyclic triterpene molecules that are produced by the plant Boswellia serrata. The potential applications of Bowsellic acid for treatment of cancer have been focused here. To predict the property of the bowsellic acid derivatives as anticancer compounds by various computational approaches. In this work, all total 65 derivatives of bowsellic acids from the PubChem database were considered for the study. After energy minimization of the ligands various types of molecular descriptors were computed and corresponding two-dimensional quantitative structure activity relationship (QSAR) models were obtained by taking Andrews coefficient as the dependent variable. Different types of comparative analysis were used for QSAR study are multiple linear regression, partial least squares, support vector machines and artificial neural network. From the study geometrical descriptors shows the highest correlation coefficient, which indicates the binding factor of the compound. To evaluate the anticancer property molecular docking study of six selected ligands based on Andrews affinity were performed with nuclear factor-kappa protein kinase (Protein Data Bank ID 4G3D), which is an established therapeutic target for cancers. Along with QSAR study and docking result, it was predicted that bowsellic acid can also be treated as a potential anticancer compound. Along with QSAR study and docking result, it was predicted that bowsellic acid can also be treated as a potential anticancer compound.

Allometry and apparent paradoxes in human limb proportions: Implications for scaling factors.

PubMed

Auerbach, Benjamin M; Sylvester, Adam D

2011-03-01

It has been consistently demonstrated that human proximal limb elements exhibit negative allometry, while distal elements scale with positive allometry. Such scaling implies that longer limbs will have higher intralimb indices, a phenomenon not borne out by empirical analyses. This, therefore, creates a paradox within the limb allometry literature. This study shows that these apparently conflicting results are the product of two separate phenomena. First, the use of the geometric mean of limb elements produces allometry coefficients that are not independent, and that when using ordinary least squares regression must yield an average slope of one. This phenomenon argues against using the geometric mean as a size variable when examining limb allometry. While the employment of relevant dimensions independent of those under analysis to calculate the geometric mean--as suggested by Coleman (Am J Phys Anthropol 135 (2008) 404-415)--may be a partial method for resolving the problem, an empirically determined, independent and biologically relevant size variable is advocated. If stature is used instead of the geometric mean as an independent size variable, all major limb elements scale with positive allometry. Second, while limb allometry coefficients do indicate differential allometry in limb elements, and thus should lead to some intralimb index allometry, this pattern appears to be attenuated by other sources of limb element length variation. Copyright © 2010 Wiley-Liss, Inc.

Bootstrap Methods: A Very Leisurely Look.

ERIC Educational Resources Information Center

Hinkle, Dennis E.; Winstead, Wayland H.

The Bootstrap method, a computer-intensive statistical method of estimation, is illustrated using a simple and efficient Statistical Analysis System (SAS) routine. The utility of the method for generating unknown parameters, including standard errors for simple statistics, regression coefficients, discriminant function coefficients, and factor…

Bayesian quantile regression-based partially linear mixed-effects joint models for longitudinal data with multiple features.

PubMed

Zhang, Hanze; Huang, Yangxin; Wang, Wei; Chen, Henian; Langland-Orban, Barbara

2017-01-01

In longitudinal AIDS studies, it is of interest to investigate the relationship between HIV viral load and CD4 cell counts, as well as the complicated time effect. Most of common models to analyze such complex longitudinal data are based on mean-regression, which fails to provide efficient estimates due to outliers and/or heavy tails. Quantile regression-based partially linear mixed-effects models, a special case of semiparametric models enjoying benefits of both parametric and nonparametric models, have the flexibility to monitor the viral dynamics nonparametrically and detect the varying CD4 effects parametrically at different quantiles of viral load. Meanwhile, it is critical to consider various data features of repeated measurements, including left-censoring due to a limit of detection, covariate measurement error, and asymmetric distribution. In this research, we first establish a Bayesian joint models that accounts for all these data features simultaneously in the framework of quantile regression-based partially linear mixed-effects models. The proposed models are applied to analyze the Multicenter AIDS Cohort Study (MACS) data. Simulation studies are also conducted to assess the performance of the proposed methods under different scenarios.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dierauf, Timothy; Kurtz, Sarah; Riley, Evan

This paper provides a recommended method for evaluating the AC capacity of a photovoltaic (PV) generating station. It also presents companion guidance on setting the facilitys capacity guarantee value. This is a principles-based approach that incorporates plant fundamental design parameters such as loss factors, module coefficients, and inverter constraints. This method has been used to prove contract guarantees for over 700 MW of installed projects. The method is transparent, and the results are deterministic. In contrast, current industry practices incorporate statistical regression where the empirical coefficients may only characterize the collected data. Though these methods may work well when extrapolationmore » is not required, there are other situations where the empirical coefficients may not adequately model actual performance.This proposed Fundamentals Approach method provides consistent results even where regression methods start to lose fidelity.« less

[Partial regression of Barret esophagus with high grade dysplasia and adenocarcinoma after photocoagulation and endocurietherapy under antisecretory treatment].

PubMed

Fremond, L; Bouché, O; Diébold, M D; Demange, L; Zeitoun, P; Thiefin, G

1995-01-01

Barrett's oesophagus is a premalignant condition. The possibility of eradicating at least partially the metaplastic epithelium has been reported recently. In this case report, a patient with Barrett's oesophagus complicated by high grade dysplasia and focal adenocarcinoma was treated by Nd:Yag laser then high dose rate intraluminal irradiation while on omeprazole 40 mg/day. A partial eradication of Barrett's oesophagus and a transient tumoural regression were obtained. Histologically, residual specialized-type glandular tissue was observed beneath regenerative squamous epithelium. Four months after intraluminal irradiation, a local tumoural recurrence was detected while the area of restored squamous epithelium was unchanged on omeprazole 40 mg/day. This indicates that physical destruction of Barrett's oesophagus associated with potent antisecretory treatment can induce a regression of the metaplastic epithelium, even in presence of high grade dysplasia. The persistence of specialized-type glands beneath the squamous epithelium raises important issues about its potential malignant degeneration.

A New Test of Linear Hypotheses in OLS Regression under Heteroscedasticity of Unknown Form

ERIC Educational Resources Information Center

Cai, Li; Hayes, Andrew F.

2008-01-01

When the errors in an ordinary least squares (OLS) regression model are heteroscedastic, hypothesis tests involving the regression coefficients can have Type I error rates that are far from the nominal significance level. Asymptotically, this problem can be rectified with the use of a heteroscedasticity-consistent covariance matrix (HCCM)…

[Long-term outcome analysis of subjective and objective parameters after breast reduction in 159 cases: Patients judge differently from plastic surgeons].

PubMed

Osinga, Rik; Babst, Doris; Bodmer, Elvira S; Link, Bjoern C; Fritsche, Elmar; Hug, Urs

2017-12-01

This work assessed both subjective and objective postoperative parameters after breast reduction surgery and compared between patients and plastic surgeons. After an average postoperative observation period of 6.7 ± 2.7 (2 - 13) years, 159 out of 259 patients (61 %) were examined. The mean age at the time of surgery was 37 ± 14 (15 - 74) years. The postoperative anatomy of the breast and other anthropometric parameters were measured in cm with the patient in an upright position. The visual analogue scale (VAS) values for symmetry, size, shape, type of scar and overall satisfaction both from the patient's and from four plastic surgeons' perspectives were assessed and compared. Patients rated the postoperative result significantly better than surgeons. Good subjective ratings by patients for shape, symmetry and sensitivity correlated with high scores for overall assessment. Shape had the strongest influence on overall satisfaction (regression coefficient 0.357; p < 0.001), followed by symmetry (regression coefficient 0.239; p < 0.001) and sensitivity (regression coefficient 0.109; p = 0.040) of the breast. The better the subjective rating for symmetry by the patient, the smaller the measured difference of the jugulum-mamillary distance between left and right (regression coefficient -0.773; p = 0.002) and the smaller the difference in height of the lowest part of the breast between left and right (regression coefficient -0.465; p = 0.035). There was no significant correlation between age, weight, height, BMI, resected weight of the breast, postoperative breast size or type of scar with overall satisfaction. After breast reduction surgery, long-term outcome is rated significantly better by patients than by plastic surgeons. Good subjective ratings by patients for shape, symmetry and sensitivity correlated with high scores for overall assessment. Shape had the strongest influence on overall satisfaction, followed by symmetry and sensitivity of the breast. Postoperative size of the breast, resection weight, type of scar, age or BMI was not of significant influence. Symmetry was the only assessed subjective parameter of this study that could be objectified by postoperative measurements. Georg Thieme Verlag KG Stuttgart · New York.

Development and testing of the Test of Functional Health Literacy in Dentistry (TOFHLiD).

PubMed

Gong, Debra A; Lee, Jessica Y; Rozier, R Gary; Pahel, Bhavna T; Richman, Julia A; Vann, William F

2007-01-01

This study aims to evaluate the reliability and validity of the Test of Functional Health Literacy in Dentistry (TOFHLiD), a new instrument to measure functional oral health literacy. TOFHLiD uses text passages and prompts related to fluoride use and access to care to assess reading comprehension and numerical ability. Parents of pediatric dental patients (n = 102) were administered TOFHLiD, a medical literacy comprehension test (TOFHLA), and two word recognition tests [Rapid Estimate of Adult Literacy in Dentistry (REALD), Rapid Estimate of Adult Literacy in Medicine (REALM)]. This design provided assessments of dental and medical health literacy by all subjects, both measured with two different methods (reading/numeracy ability and word recognition). Construct validity of TOFHLiD was assessed by entering the correlation coefficients for all pairwise comparisons of literacy instruments into a multitrait-multimethod matrix. Internal reliability of TOFHLiD was assessed with Cronbach's alpha. Criterion-related predictive validity was tested by associations between the TOFHLiD scores and the three measures of oral health in multivariate regression analyses. The correlation coefficient for TOFHLiD and REALD-99 scores (monotrait-heteromethod) was high (r = 0.82, P < 0.05). Coefficients between TOFHLiD and TOFHLA (heterotrait-monomethod: r = 0.52) and REALM (heterotrait-heteromethod: r = 0.53) were smaller than coefficients for convergent validity Cronbach's alpha for TOFHLiD was 0.63. TOFHLiD was positively correlated with OHIP-14 (P < 0.05), but not with parent or child oral health. TOFHLA was not related to dental outcomes. TOFHLiD demonstrates good convergent validity but only moderate ability to discriminate between dental and medical health literacy. Its predictive validity is only partially established, and internal consistency just meets the threshold for acceptability. Results provide solid support for more research, but not widespread use in clinical or public health practice.

Rapid and simultaneous analysis of five alkaloids in four parts of Coptidis Rhizoma by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Jintao, Xue; Yufei, Liu; Liming, Ye; Chunyan, Li; Quanwei, Yang; Weiying, Wang; Yun, Jing; Minxiang, Zhang; Peng, Li

2018-01-01

Near-Infrared Spectroscopy (NIRS) was first used to develop a method for rapid and simultaneous determination of 5 active alkaloids (berberine, coptisine, palmatine, epiberberine and jatrorrhizine) in 4 parts (rhizome, fibrous root, stem and leaf) of Coptidis Rhizoma. A total of 100 samples from 4 main places of origin were collected and studied. With HPLC analysis values as calibration reference, the quantitative analysis of 5 marker components was performed by two different modeling methods, partial least-squares (PLS) regression as linear regression and artificial neural networks (ANN) as non-linear regression. The results indicated that the 2 types of models established were robust, accurate and repeatable for five active alkaloids, and the ANN models was more suitable for the determination of berberine, coptisine and palmatine while the PLS model was more suitable for the analysis of epiberberine and jatrorrhizine. The performance of the optimal models was achieved as follows: the correlation coefficient (R) for berberine, coptisine, palmatine, epiberberine and jatrorrhizine was 0.9958, 0.9956, 0.9959, 0.9963 and 0.9923, respectively; the root mean square error of validation (RMSEP) was 0.5093, 0.0578, 0.0443, 0.0563 and 0.0090, respectively. Furthermore, for the comprehensive exploitation and utilization of plant resource of Coptidis Rhizoma, the established NIR models were used to analysis the content of 5 active alkaloids in 4 parts of Coptidis Rhizoma and 4 main origin of places. This work demonstrated that NIRS may be a promising method as routine screening for off-line fast analysis or on-line quality assessment of traditional Chinese medicine (TCM).

Interrelations between orthostatic postural deviations and subjects' age, sex, malocclusion, and specific signs and symptoms of functional pathologies of the temporomandibular system: a preliminary correlation and regression study.

PubMed

Munhoz, Wagner Cesar; Hsing, Wu Tu

2014-07-01

Studies on the relationships between postural deviations and the temporomandibular system (TS) functional health are controversial and inconclusive. This study stems from the hypothesis that such inconclusiveness is due to authors considering functional pathologies of the TS (FPTS) as a whole, without taking into account subjects' specific FPTS signs and symptoms. Based on the author and collaborators' previous studies, the present study analyzed data on body posture from a sample of 50 subjects with (30) and without (20) FPTS. Correlation analyses were applied, taking as independent variables age, sex, Helkimo anamnestic, occlusal, and dysfunction indices, as well as FPTS specific signs and symptoms. Postural assessments of the head, cervical spine, shoulders, lumbar spine, and hips were the dependent variables. Linear regression equations were built that proved to partially predict the presence and magnitude of body posture deviations by drawing on subjects' characteristics and specific FPTS symptoms. Determination coefficients for these equations ranged from 0.082 to 0.199 in the univariate, and from 0.121 to 0.502 in the multivariate regression analyses. Results show that factors intrinsic to the subjects or the TS may potentially interfere in results of studies that analyze relationships between FPTS and body posture. Furthermore, a trend to specificity was found, e.g. the degree of cervical lordosis was found to correlate to age and FPTS degree of severity, suggesting that some TS pathological features, or malocclusion, age or sex, may be more strongly correlated than others with specific posture patterns.

Evaluation of the efficiency of continuous wavelet transform as processing and preprocessing algorithm for resolution of overlapped signals in univariate and multivariate regression analyses; an application to ternary and quaternary mixtures.

PubMed

Hegazy, Maha A; Lotfy, Hayam M; Mowaka, Shereen; Mohamed, Ekram Hany

2016-07-05

Wavelets have been adapted for a vast number of signal-processing applications due to the amount of information that can be extracted from a signal. In this work, a comparative study on the efficiency of continuous wavelet transform (CWT) as a signal processing tool in univariate regression and a pre-processing tool in multivariate analysis using partial least square (CWT-PLS) was conducted. These were applied to complex spectral signals of ternary and quaternary mixtures. CWT-PLS method succeeded in the simultaneous determination of a quaternary mixture of drotaverine (DRO), caffeine (CAF), paracetamol (PAR) and p-aminophenol (PAP, the major impurity of paracetamol). While, the univariate CWT failed to simultaneously determine the quaternary mixture components and was able to determine only PAR and PAP, the ternary mixtures of DRO, CAF, and PAR and CAF, PAR, and PAP. During the calculations of CWT, different wavelet families were tested. The univariate CWT method was validated according to the ICH guidelines. While for the development of the CWT-PLS model a calibration set was prepared by means of an orthogonal experimental design and their absorption spectra were recorded and processed by CWT. The CWT-PLS model was constructed by regression between the wavelet coefficients and concentration matrices and validation was performed by both cross validation and external validation sets. Both methods were successfully applied for determination of the studied drugs in pharmaceutical formulations. Copyright © 2016 Elsevier B.V. All rights reserved.

Belief in complementary and alternative medicine is related to age and paranormal beliefs in adults.

PubMed

Van den Bulck, Jan; Custers, Kathleen

2010-04-01

The use of complementary and alternative medicine (CAM) is widespread, even among people who use conventional medicine. Positive beliefs about CAM are common among physicians and medical students. Little is known about the beliefs regarding CAM among the general public. Among science students, belief in CAM was predicted by belief in the paranormal. In a cross-sectional study, 712 randomly selected adults (>18 years old) responded to the CAM Health Belief Questionnaire (CHBQ) and a paranormal beliefs scale. CAM beliefs were very prevalent in this sample of adult Flemish men and women. Zero-order correlations indicated that belief in CAM was associated with age (r = 0.173 P < 0.001) level of education (r = -0.079 P = 0.039) social desirability (r = -0.119 P = 0.002) and paranormal belief (r = 0.365 P < 0.001). In a multivariate model, two variables predicted CAM beliefs. Support for CAM increased with age (regression coefficient: 0.01; 95% confidence interval (CI): 0.006 to 0.014), but the strongest relationship existed between support for CAM and beliefs in the paranormal. Paranormal beliefs accounted for 14% of the variance of the CAM beliefs (regression coefficient: 0.376; 95%: CI 0.30-0.44). The level of education (regression coefficient: 0.06; 95% CI: -0.014-0.129) and social desirability (regression coefficient: -0.023; 95% CI: -0.048-0.026) did not make a significant contribution to the explained variance (<0.1%, P = 0.867). Support of CAM was very prevalent in this Flemish adult population. CAM beliefs were strongly associated with paranormal beliefs.

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

PubMed

Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

Characteristics of low-slope streams that affect O2 transfer rates

USGS Publications Warehouse

Parker, Gene W.; Desimone, Leslie A.

1991-01-01

Multiple-regression techniques were used to derive the reaeration coefficients estimating equation for low sloped streams: K2 = 3.83 MBAS-0.41 SL0.20 H-0.76, where K2 is the reaeration coefficient in base e units per day; MBAS is the methylene blue active substances concentration in milligrams per liter; SL is the water-surface slope in foot per foot; and H is the mean-flow depth in feet. Fourteen hydraulic, physical, and water-quality characteristics were regressed against 29 measured-reaeration coefficients for low-sloped (water surface slopes less than 0.002 foot per foot) streams in Massachusetts and New York. Reaeration coefficients measured from May 1985 to October 1988 ranged from 0.2 to 11.0 base e units per day for 29 low-sloped tracer studies. Concentration of methylene blue active substances is significant because it is thought to be an indicator of concentration of surfactants which could change the surface tension at the air-water interface.

Moderation analysis using a two-level regression model.

PubMed

Yuan, Ke-Hai; Cheng, Ying; Maxwell, Scott

2014-10-01

Moderation analysis is widely used in social and behavioral research. The most commonly used model for moderation analysis is moderated multiple regression (MMR) in which the explanatory variables of the regression model include product terms, and the model is typically estimated by least squares (LS). This paper argues for a two-level regression model in which the regression coefficients of a criterion variable on predictors are further regressed on moderator variables. An algorithm for estimating the parameters of the two-level model by normal-distribution-based maximum likelihood (NML) is developed. Formulas for the standard errors (SEs) of the parameter estimates are provided and studied. Results indicate that, when heteroscedasticity exists, NML with the two-level model gives more efficient and more accurate parameter estimates than the LS analysis of the MMR model. When error variances are homoscedastic, NML with the two-level model leads to essentially the same results as LS with the MMR model. Most importantly, the two-level regression model permits estimating the percentage of variance of each regression coefficient that is due to moderator variables. When applied to data from General Social Surveys 1991, NML with the two-level model identified a significant moderation effect of race on the regression of job prestige on years of education while LS with the MMR model did not. An R package is also developed and documented to facilitate the application of the two-level model.

Atmospheric transport of toxaphene from the southern United States to the Great Lakes Region.

PubMed

James, Ryan R; Hites, Ronald A

2002-08-15

Toxaphene was used extensively as an insecticide on cotton in the southern United States until its use was restricted in 1982. Toxaphene has been found in the water and fishes from the Great Lakes, and several authors have qualitatively linked this observation to atmospheric transport from the southern United States, although no detailed field study has been done to confirm this suggestion. We implemented a sampling network to measure the gas-phase concentrations of toxaphene near Lake Michigan at Sleeping Bear Dunes, MI; Bloomington, IN; Lubbock, TX; and Rohwer, AR. The toxaphene concentrations referenced to 288 K were 11 +/- 1, 25 +/- 1, 160 +/- 3, and 950 +/- 30 pg/ m3, respectively. We combined these concentration data with a nonparametric, backward trajectory, multiple regression model of the following form: ln(P) = a0 + a1/T + a2theta where P is the partial pressure of toxaphene (in atm) in a given sample, T is the atmospheric temperature at the sampling site during sampling (in degrees Kelvin), and theta is 0 if the backward trajectory comes from the north and 1 if the trajectory comes from the south. The parameters of this model were generally significant, giving a temperature coefficient (a1) corresponding to 45 +/- 8 kJ/mol and a positive directional coefficient (a2) of 0.6 +/- 0.2 (except for Texas, which was not significant). The positive sign and magnitude of the directional coefficient indicates that the sources of toxaphene are located south of the sampling sites. We also compared the chemical behavior of toxaphene in the atmosphere and found that the congener ratios were similar at the different sampling sites but slightly different from various toxaphene standards.

Pricing of surgeries for colon cancer: patient severity and market factors.

PubMed

Dor, Avi; Koroukian, Siran; Xu, Fang; Stulberg, Jonah; Delaney, Conor; Cooper, Gregory

2012-12-01

This study examined effects of health maintenance organization (HMO) penetration, hospital competition, and patient severity on the uptake of laparoscopic colectomy and its price relative to open surgery for colon cancer. The MarketScan Database (data from 2002-2007) was used to identify admissions for privately insured colorectal cancer patients undergoing laparoscopic or open partial colectomy (n = 1035 and n = 6389, respectively). Patient and health plan characteristics were retrieved from these data; HMO market penetration rates and an index of hospital market concentration, the Herfindahl-Hirschman index (HHI), were derived from national databases. Logistic and logarithmic regressions were used to examine the odds of having laparoscopic colectomy, effect of covariates on colectomy prices, and the differential price of laparoscopy. Adoption of laparoscopy was highly sensitive to market forces, with a 10% increase in HMO penetration leading to a 10.9% increase in the likelihood of undergoing laparoscopic colectomy (adjusted odds ratio = 1.109; 95% confidence interval [CI] = 1.062, 1.158) and a 10% increase in HHI resulting in 6.6% lower likelihood (adjusted odds ratio = 0.936; 95% CI = 0.880, 0.996). Price models indicated that the price of laparoscopy was 7.6% lower than that of open surgery (transformed coefficient = 0.927; 95% CI = 0.895, 0.960). A 10% increase in HMO penetration was associated with 1.6% lower price (transformed coefficient = 0.985; 95% CI = 0.977, 0.992), whereas a 10% increase in HHI was associated with 1.6% higher price (transformed coefficient = 1.016; 95% CI = 1.006, 1.027; P < .001 for all comparisons). Laparoscopy was significantly associated with lower hospital prices. Moreover, laparoscopic surgery may result in cost savings, while market pressures contribute to its adoption. Copyright © 2012 American Cancer Society.

Measurement of effective air diffusion coefficients for trichloroethene in undisturbed soil cores.

PubMed

Bartelt-Hunt, Shannon L; Smith, James A

2002-06-01

In this study, we measure effective diffusion coefficients for trichloroethene in undisturbed soil samples taken from Picatinny Arsenal, New Jersey. The measured effective diffusion coefficients ranged from 0.0053 to 0.0609 cm2/s over a range of air-filled porosity of 0.23-0.49. The experimental data were compared to several previously published relations that predict diffusion coefficients as a function of air-filled porosity and porosity. A multiple linear regression analysis was developed to determine if a modification of the exponents in Millington's [Science 130 (1959) 100] relation would better fit the experimental data. The literature relations appeared to generally underpredict the effective diffusion coefficient for the soil cores studied in this work. Inclusion of a particle-size distribution parameter, d10, did not significantly improve the fit of the linear regression equation. The effective diffusion coefficient and porosity data were used to recalculate estimates of diffusive flux through the subsurface made in a previous study performed at the field site. It was determined that the method of calculation used in the previous study resulted in an underprediction of diffusive flux from the subsurface. We conclude that although Millington's [Science 130 (1959) 100] relation works well to predict effective diffusion coefficients in homogeneous soils with relatively uniform particle-size distributions, it may be inaccurate for many natural soils with heterogeneous structure and/or non-uniform particle-size distributions.

Texture profile analysis of yogurt as influenced by partially hydrolyzed guar gum and process variables.

PubMed

Mudgil, Deepak; Barak, Sheweta; Khatkar, B S

2017-11-01

Effect of partially hydrolyzed guar gum (PHGG) level (1-5%), culture level (1.5-3.5%) and incubation time (4-8 h) on texture profile of yogurt was studied using response surface methodology. The fortification of partially hydrolyzed guar gum in yogurt decreased the firmness and gumminess while it increased the adhesiveness, cohesiveness and springiness of yogurt significantly at p  < 0.01. The culture level did not affect the textural properties of yogurt significantly except gumminess whereas textural properties of yogurt were negatively correlated with incubation time. The coefficient of determination for hardness/hardness, adhesiveness, cohesiveness, springiness and gumminess were 0.9216, 0.9397, 0.8914, 0.8971 and 0.9156, respectively, which revealed that the models obtained were significant as coefficient of determination value was close to one. The optimum conditions obtained were PHGG level 3.37%, culture level 1.96% and incubation time 5.96 h which leads to preparation of yogurt with desired textural characteristics.

Smooth Scalar-on-Image Regression via Spatial Bayesian Variable Selection

PubMed Central

Goldsmith, Jeff; Huang, Lei; Crainiceanu, Ciprian M.

2013-01-01

We develop scalar-on-image regression models when images are registered multidimensional manifolds. We propose a fast and scalable Bayes inferential procedure to estimate the image coefficient. The central idea is the combination of an Ising prior distribution, which controls a latent binary indicator map, and an intrinsic Gaussian Markov random field, which controls the smoothness of the nonzero coefficients. The model is fit using a single-site Gibbs sampler, which allows fitting within minutes for hundreds of subjects with predictor images containing thousands of locations. The code is simple and is provided in less than one page in the Appendix. We apply this method to a neuroimaging study where cognitive outcomes are regressed on measures of white matter microstructure at every voxel of the corpus callosum for hundreds of subjects. PMID:24729670

Thermal diffusion in partially ionized gases - The case of unequal temperatures. [in solar chromosphere

NASA Technical Reports Server (NTRS)

Geiss, J.; Burgi, A.

1987-01-01

Previous calculations of thermal diffusion coefficients in partially ionized gases are extended to the case of unequal neutral and ion temperatures and/or temperature gradients. Formulas are derived for the general case of a major gas as well as for minor atoms and ions. Strong enhancements of minor-ion thermal diffusion coefficients over their values in the fully ionized gas are found when the degree of ionization in the main gas is relatively low. However, compared to the case of equal temperatures, the enhancements are less strong when the neutrals are cooler than the ions. The specific case of the H-H(+) mixture, which is important in the study of solar and stellar atmospheres, is discussed as an application.

Factors Affecting Acoustics and Speech Intelligibility in the Operating Room: Size Matters.

PubMed

McNeer, Richard R; Bennett, Christopher L; Horn, Danielle Bodzin; Dudaryk, Roman

2017-06-01

Noise in health care settings has increased since 1960 and represents a significant source of dissatisfaction among staff and patients and risk to patient safety. Operating rooms (ORs) in which effective communication is crucial are particularly noisy. Speech intelligibility is impacted by noise, room architecture, and acoustics. For example, sound reverberation time (RT60) increases with room size, which can negatively impact intelligibility, while room objects are hypothesized to have the opposite effect. We explored these relationships by investigating room construction and acoustics of the surgical suites at our institution. We studied our ORs during times of nonuse. Room dimensions were measured to calculate room volumes (VR). Room content was assessed by estimating size and assigning items into 5 volume categories to arrive at an adjusted room content volume (VC) metric. Psychoacoustic analyses were performed by playing sweep tones from a speaker and recording the impulse responses (ie, resulting sound fields) from 3 locations in each room. The recordings were used to calculate 6 psychoacoustic indices of intelligibility. Multiple linear regression was performed using VR and VC as predictor variables and each intelligibility index as an outcome variable. A total of 40 ORs were studied. The surgical suites were characterized by a large degree of construction and surface finish heterogeneity and varied in size from 71.2 to 196.4 m (average VR = 131.1 [34.2] m). An insignificant correlation was observed between VR and VC (Pearson correlation = 0.223, P = .166). Multiple linear regression model fits and β coefficients for VR were highly significant for each of the intelligibility indices and were best for RT60 (R = 0.666, F(2, 37) = 39.9, P < .0001). For Dmax (maximum distance where there is <15% loss of consonant articulation), both VR and VC β coefficients were significant. For RT60 and Dmax, after controlling for VC, partial correlations were 0.825 (P < .0001) and 0.718 (P < .0001), respectively, while after controlling for VR, partial correlations were -0.322 (P = .169) and 0.381 (P < .05), respectively. Our results suggest that the size and contents of an OR can predict a range of psychoacoustic indices of speech intelligibility. Specifically, increasing OR size correlated with worse speech intelligibility, while increasing amounts of OR contents correlated with improved speech intelligibility. This study provides valuable descriptive data and a predictive method for identifying existing ORs that may benefit from acoustic modifiers (eg, sound absorption panels). Additionally, it suggests that room dimensions and projected clinical use should be considered during the design phase of OR suites to optimize acoustic performance.

Treatment of transmissible venereal tumors in dogs with intratumoral interleukin-2 (IL-2). A pilot study.

PubMed

Den Otter, Willem; Hack, Margot; Jacobs, John J L; Tan, Jurgen F V; Rozendaal, Lawrence; Van Moorselaar, R Jeroen A

2015-02-01

To improve the treatment of transmissible venereal tumors (TVTs) in dogs with intratumoral injections of interleukin-2 (IL-2). We treated 13 dogs with 18 natural TVTs with IL-2. The tumors were treated with intratumoral application of 2×10(6) units IL-2. Three months after injection of IL-2, the tumors in 2/13 dogs had regressed completely, those in 1/13 had regressed partially, and 4/13 dogs had stable disease. Local IL-2 treatment of TVT is therapeutically effective, as indicated by complete regression (CR), partial regression (PR) and stable disease (SD) of the tumors of 7 out of 13 dogs. In addition, we observed that the intratumoral treatment with IL-2 did not cause any toxic side-effects. Copyright© 2015 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

Partial meniscectomy is associated with increased risk of incident radiographic osteoarthritis and worsening cartilage damage in the following year.

PubMed

Roemer, Frank W; Kwoh, C Kent; Hannon, Michael J; Hunter, David J; Eckstein, Felix; Grago, Jason; Boudreau, Robert M; Englund, Martin; Guermazi, Ali

2017-01-01

To assess whether partial meniscectomy is associated with increased risk of radiographic osteoarthritis (ROA) and worsening cartilage damage in the following year. We studied 355 knees from the Osteoarthritis Initiative that developed ROA (Kellgren-Lawrence grade ≥ 2), which were matched with control knees. The MR images were assessed using the semi-quantitative MOAKS system. Conditional logistic regression was applied to estimate risk of incident ROA. Logistic regression was used to assess the risk of worsening cartilage damage in knees with partial meniscectomy that developed ROA. In the group with incident ROA, 4.4 % underwent partial meniscectomy during the year prior to the case-defining visit, compared with none of the knees that did not develop ROA. All (n = 31) knees that had partial meniscectomy and 58.9 % (n = 165) of the knees with prevalent meniscal damage developed ROA (OR = 2.51, 95 % CI [1.73, 3.64]). In knees that developed ROA, partial meniscectomy was associated with an increased risk of worsening cartilage damage (OR = 4.51, 95 % CI [1.53, 13.33]). The probability of having had partial meniscectomy was higher in knees that developed ROA. When looking only at knees that developed ROA, partial meniscectomy was associated with greater risk of worsening cartilage damage. • Partial meniscectomy is a controversial treatment option for degenerative meniscal tears. • Partial meniscectomy is strongly associated with incident osteoarthritis within 1 year. • Partial meniscectomy is associated with increased risk of worsening cartilage damage.

Hierarchical Bayesian inference on genetic and non-genetic components of partial efficiencies determining feed efficiency in dairy cattle

USDA-ARS?s Scientific Manuscript database

Dairy cattle feed efficiency (FE) can be defined as the ability to convert DMI into milk energy (MILKE) and maintenance or metabolic body weight (MBW). In other words, DMI is conditional on MILKE and MBW (DMI|MILKE,MBW). These partial regressions or partial efficiencies (PE) of DMI on MILKE and MBW ...

The Geometry of Enhancement in Multiple Regression

ERIC Educational Resources Information Center

Waller, Niels G.

2011-01-01

In linear multiple regression, "enhancement" is said to occur when R[superscript 2] = b[prime]r greater than r[prime]r, where b is a p x 1 vector of standardized regression coefficients and r is a p x 1 vector of correlations between a criterion y and a set of standardized regressors, x. When p = 1 then b [is congruent to] r and…

A Comparison between the Use of Beta Weights and Structure Coefficients in Interpreting Regression Results

ERIC Educational Resources Information Center

Tong, Fuhui

2006-01-01

Background: An extensive body of researches has favored the use of regression over other parametric analyses that are based on OVA. In case of noteworthy regression results, researchers tend to explore magnitude of beta weights for the respective predictors. Purpose: The purpose of this paper is to examine both beta weights and structure…

Remote-sensing data processing with the multivariate regression analysis method for iron mineral resource potential mapping: a case study in the Sarvian area, central Iran

NASA Astrophysics Data System (ADS)

Mansouri, Edris; Feizi, Faranak; Jafari Rad, Alireza; Arian, Mehran

2018-03-01

This paper uses multivariate regression to create a mathematical model for iron skarn exploration in the Sarvian area, central Iran, using multivariate regression for mineral prospectivity mapping (MPM). The main target of this paper is to apply multivariate regression analysis (as an MPM method) to map iron outcrops in the northeastern part of the study area in order to discover new iron deposits in other parts of the study area. Two types of multivariate regression models using two linear equations were employed to discover new mineral deposits. This method is one of the reliable methods for processing satellite images. ASTER satellite images (14 bands) were used as unique independent variables (UIVs), and iron outcrops were mapped as dependent variables for MPM. According to the results of the probability value (p value), coefficient of determination value (R2) and adjusted determination coefficient (Radj2), the second regression model (which consistent of multiple UIVs) fitted better than other models. The accuracy of the model was confirmed by iron outcrops map and geological observation. Based on field observation, iron mineralization occurs at the contact of limestone and intrusive rocks (skarn type).

Estimation Methods for Non-Homogeneous Regression - Minimum CRPS vs Maximum Likelihood

NASA Astrophysics Data System (ADS)

Gebetsberger, Manuel; Messner, Jakob W.; Mayr, Georg J.; Zeileis, Achim

2017-04-01

Non-homogeneous regression models are widely used to statistically post-process numerical weather prediction models. Such regression models correct for errors in mean and variance and are capable to forecast a full probability distribution. In order to estimate the corresponding regression coefficients, CRPS minimization is performed in many meteorological post-processing studies since the last decade. In contrast to maximum likelihood estimation, CRPS minimization is claimed to yield more calibrated forecasts. Theoretically, both scoring rules used as an optimization score should be able to locate a similar and unknown optimum. Discrepancies might result from a wrong distributional assumption of the observed quantity. To address this theoretical concept, this study compares maximum likelihood and minimum CRPS estimation for different distributional assumptions. First, a synthetic case study shows that, for an appropriate distributional assumption, both estimation methods yield to similar regression coefficients. The log-likelihood estimator is slightly more efficient. A real world case study for surface temperature forecasts at different sites in Europe confirms these results but shows that surface temperature does not always follow the classical assumption of a Gaussian distribution. KEYWORDS: ensemble post-processing, maximum likelihood estimation, CRPS minimization, probabilistic temperature forecasting, distributional regression models

Comparison of the color of natural teeth measured by a colorimeter and Shade Vision System.

PubMed

Cho, Byeong-Hoon; Lim, Yong-Kyu; Lee, Yong-Keun

2007-10-01

The objectives were to measure the difference in the color and color parameters of natural teeth measured by a tristimulus colorimeter (CM, used as a reference) and Shade Vision System (SV), and to determine the influence of color parameters on the color difference between the values measured by two instruments. Color of 12 maxillary and mandibular anterior teeth was measured by CM and SV for 47 volunteers (number of teeth=564). Color parameters such as CIE L*, a* and b* values, chroma and hue angle measured by two instruments were compared. Chroma was calculated as C*ab=(a*2 = b*2)1/2, and hue angle was calculated as h degrees =arctan(b*/a*). The influence of color parameters measured by CM on the color difference (DeltaE*(ab)) between the values measured by two instruments was analyzed with multiple regression analysis (alpha=0.01). Mean DeltaE*(ab) value between the values measured by two instruments was 21.7 (+/-3.7), and the mean difference in lightness (CIE L*) and chroma was 16.2 (+/-3.9) and 13.2 (+/-3.0), respectively. Difference in hue angle was high as 132.7 (+/-53.3) degrees . Except for the hue angle, all the color parameters showed significant correlations and the coefficient of determination (r(2)) was in the range of 0.089-0.478. Based on multiple regression analysis, the standardized partial correlation coefficient (beta) of the included predictors for the color difference was -0.710 for CIE L* and -0.300 for C*(ab) (p<0.01). All the color parameters showed significant but weak correlations except for hue angle. When lightness and chroma of teeth were high, color difference between the values measured by two instruments was small. Clinical accuracy of two instruments should be investigated further.

Regional Regression Equations to Estimate Flow-Duration Statistics at Ungaged Stream Sites in Connecticut

USGS Publications Warehouse

Ahearn, Elizabeth A.

2010-01-01

Multiple linear regression equations for determining flow-duration statistics were developed to estimate select flow exceedances ranging from 25- to 99-percent for six 'bioperiods'-Salmonid Spawning (November), Overwinter (December-February), Habitat Forming (March-April), Clupeid Spawning (May), Resident Spawning (June), and Rearing and Growth (July-October)-in Connecticut. Regression equations also were developed to estimate the 25- and 99-percent flow exceedances without reference to a bioperiod. In total, 32 equations were developed. The predictive equations were based on regression analyses relating flow statistics from streamgages to GIS-determined basin and climatic characteristics for the drainage areas of those streamgages. Thirty-nine streamgages (and an additional 6 short-term streamgages and 28 partial-record sites for the non-bioperiod 99-percent exceedance) in Connecticut and adjacent areas of neighboring States were used in the regression analysis. Weighted least squares regression analysis was used to determine the predictive equations; weights were assigned based on record length. The basin characteristics-drainage area, percentage of area with coarse-grained stratified deposits, percentage of area with wetlands, mean monthly precipitation (November), mean seasonal precipitation (December, January, and February), and mean basin elevation-are used as explanatory variables in the equations. Standard errors of estimate of the 32 equations ranged from 10.7 to 156 percent with medians of 19.2 and 55.4 percent to predict the 25- and 99-percent exceedances, respectively. Regression equations to estimate high and median flows (25- to 75-percent exceedances) are better predictors (smaller variability of the residual values around the regression line) than the equations to estimate low flows (less than 75-percent exceedance). The Habitat Forming (March-April) bioperiod had the smallest standard errors of estimate, ranging from 10.7 to 20.9 percent. In contrast, the Rearing and Growth (July-October) bioperiod had the largest standard errors, ranging from 30.9 to 156 percent. The adjusted coefficient of determination of the equations ranged from 77.5 to 99.4 percent with medians of 98.5 and 90.6 percent to predict the 25- and 99-percent exceedances, respectively. Descriptive information on the streamgages used in the regression, measured basin and climatic characteristics, and estimated flow-duration statistics are provided in this report. Flow-duration statistics and the 32 regression equations for estimating flow-duration statistics in Connecticut are stored on the U.S. Geological Survey World Wide Web application ?StreamStats? (http://water.usgs.gov/osw/streamstats/index.html). The regression equations developed in this report can be used to produce unbiased estimates of select flow exceedances statewide.

Partial meniscectomy is associated with increased risk of incident radiographic osteoarthritis and worsening cartilage damage in the following year

PubMed Central

Roemer, Frank W.; Kwoh, C. Kent; Hannon, Michael J.; Hunter, David J.; Eckstein, Felix; Grago, Jason; Boudreau, Robert M.; Englund, Martin; Guermazi, Ali

2016-01-01

Objectives To assess whether partial meniscectomy is associated with increased risk of radiographic osteoarthritis (ROA) and worsening cartilage damage in the following year. Methods We studied 355 knees from the Osteoarthritis Initiative that developed ROA (Kellgren-Lawrence grade ≥ 2), which were matched with control knees. The MR images were assessed using the semi-quantitative MOAKS system. Conditional logistic regression was applied to estimate risk of incident ROA. Logistic regression was used to assess the risk of worsening cartilage damage in knees with partial meniscectomy that developed ROA. Results In the group with incident ROA, 4.4% underwent partial meniscectomy during the year prior to the case-defining visit, compared with none of the knees that did not develop ROA. All (n=31) knees that had partial meniscectomy and 58.9% (n=165) of the knees with prevalent meniscal damage developed ROA (OR=2.51, 95% CI [1.73, 3.64]). In knees that developed ROA, partial meniscectomy was associated with an increased risk of worsening cartilage damage (OR=4.51, 95% CI [1.53, 13.33]). Conclusions The probability of having had partial meniscectomy was higher in knees that developed ROA. When looking only at knees that developed ROA, partial meniscectomy was associated with greater risk of worsening cartilage damage. PMID:27121931

Aerodynamic characteristics of horizontal tail surfaces

NASA Technical Reports Server (NTRS)

Silverstein, Abe; Katzoff, S

1940-01-01

Collected data are presented on the aerodynamic characteristics of 17 horizontal tail surfaces including several with balanced elevators and two with end plates. Curves are given for coefficients of normal force, drag, and elevator hinge moment. A limited analysis of the results has been made. The normal-force coefficients are in better agreement with the lifting-surface theory of Prandtl and Blenk for airfoils of low aspect ratio than with the usual lifting-line theory. Only partial agreement exists between the elevator hinge-moment coefficients and those predicted by Glauert's thin-airfoil theory.

Linear regression metamodeling as a tool to summarize and present simulation model results.

PubMed

Jalal, Hawre; Dowd, Bryan; Sainfort, François; Kuntz, Karen M

2013-10-01

Modelers lack a tool to systematically and clearly present complex model results, including those from sensitivity analyses. The objective was to propose linear regression metamodeling as a tool to increase transparency of decision analytic models and better communicate their results. We used a simplified cancer cure model to demonstrate our approach. The model computed the lifetime cost and benefit of 3 treatment options for cancer patients. We simulated 10,000 cohorts in a probabilistic sensitivity analysis (PSA) and regressed the model outcomes on the standardized input parameter values in a set of regression analyses. We used the regression coefficients to describe measures of sensitivity analyses, including threshold and parameter sensitivity analyses. We also compared the results of the PSA to deterministic full-factorial and one-factor-at-a-time designs. The regression intercept represented the estimated base-case outcome, and the other coefficients described the relative parameter uncertainty in the model. We defined simple relationships that compute the average and incremental net benefit of each intervention. Metamodeling produced outputs similar to traditional deterministic 1-way or 2-way sensitivity analyses but was more reliable since it used all parameter values. Linear regression metamodeling is a simple, yet powerful, tool that can assist modelers in communicating model characteristics and sensitivity analyses.

Employing the Gini coefficient to measure participation inequality in treatment-focused Digital Health Social Networks.

PubMed

van Mierlo, Trevor; Hyatt, Douglas; Ching, Andrew T

2016-01-01

Digital Health Social Networks (DHSNs) are common; however, there are few metrics that can be used to identify participation inequality. The objective of this study was to investigate whether the Gini coefficient, an economic measure of statistical dispersion traditionally used to measure income inequality, could be employed to measure DHSN inequality. Quarterly Gini coefficients were derived from four long-standing DHSNs. The combined data set included 625,736 posts that were generated from 15,181 actors over 18,671 days. The range of actors (8-2323), posts (29-28,684), and Gini coefficients (0.15-0.37) varied. Pearson correlations indicated statistically significant associations between number of actors and number of posts (0.527-0.835, p  < .001), and Gini coefficients and number of posts (0.342-0.725, p  < .001). However, the association between Gini coefficient and number of actors was only statistically significant for the addiction networks (0.619 and 0.276, p  < .036). Linear regression models had positive but mixed R 2 results (0.333-0.527). In all four regression models, the association between Gini coefficient and posts was statistically significant ( t  = 3.346-7.381, p  < .002). However, unlike the Pearson correlations, the association between Gini coefficient and number of actors was only statistically significant in the two mental health networks ( t  = -4.305 and -5.934, p  < .000). The Gini coefficient is helpful in measuring shifts in DHSN inequality. However, as a standalone metric, the Gini coefficient does not indicate optimal numbers or ratios of actors to posts, or effective network engagement. Further, mixed-methods research investigating quantitative performance metrics is required.

Study of thermodynamic and acoustic behaviour of nicotinic acid in binary aqueous mixtures of D-lactose

NASA Astrophysics Data System (ADS)

Sharma, Ravi; Thakur, R. C.

2017-07-01

In the present study, the thermodynamic properties such as partial molar volumes, partial molar expansibilities, partial molar compressibilities, partial molar heat capacities and isobaric thermal expansion coefficient of different solutions of nicotinic acid in binary aqueous mixtures of D-lactose have been determined at different temperatures (298.15, 303.15, 308.15, 313.15) K. Masson's equation is used to interpret the data in terms of solute-solute and solute-solvent interactions. In the present study it has been found that nicotinic acid behaves as structure maker in aqueous and binary aqueous mixtures of D-lactose.

A comparison between the use of Cox regression and the use of partial least squares-Cox regression to predict the survival of kidney-transplant patients

NASA Astrophysics Data System (ADS)

Solimun

2017-05-01

The aim of this research is to model survival data from kidney-transplant patients using the partial least squares (PLS)-Cox regression, which can both meet and not meet the no-multicollinearity assumption. The secondary data were obtained from research entitled "Factors affecting the survival of kidney-transplant patients". The research subjects comprised 250 patients. The predictor variables consisted of: age (X1), sex (X2); two categories, prior hemodialysis duration (X3), diabetes (X4); two categories, prior transplantation number (X5), number of blood transfusions (X6), discrepancy score (X7), use of antilymphocyte globulin(ALG) (X8); two categories, while the response variable was patient survival time (in months). Partial least squares regression is a model that connects the predictor variables X and the response variable y and it initially aims to determine the relationship between them. Results of the above analyses suggest that the survival of kidney transplant recipients ranged from 0 to 55 months, with 62% of the patients surviving until they received treatment that lasted for 55 months. The PLS-Cox regression analysis results revealed that patients' age and the use of ALG significantly affected the survival time of patients. The factor of patients' age (X1) in the PLS-Cox regression model merely affected the failure probability by 1.201. This indicates that the probability of dying for elderly patients with a kidney transplant is 1.152 times higher than that for younger patients.

The Study of Rain Specific Attenuation for the Prediction of Satellite Propagation in Malaysia

NASA Astrophysics Data System (ADS)

Mandeep, J. S.; Ng, Y. Y.; Abdullah, H.; Abdullah, M.

2010-06-01

Specific attenuation is the fundamental quantity in the calculation of rain attenuation for terrestrial path and slant paths representing as rain attenuation per unit distance (dB/km). Specific attenuation is an important element in developing the predicted rain attenuation model. This paper deals with the empirical determination of the power law coefficients which allow calculating the specific attenuation in dB/km from the knowledge of the rain rate in mm/h. The main purpose of the paper is to obtain the coefficients of k and α of power law relationship between specific attenuation. Three years (from 1st January 2006 until 31st December 2008) rain gauge and beacon data taken from USM, Nibong Tebal have been used to do the empirical procedure analysis of rain specific attenuation. The data presented are semi-empirical in nature. A year-to-year variation of the coefficients has been indicated and the empirical measured data was compared with ITU-R provided regression coefficient. The result indicated that the USM empirical measured data was significantly vary from ITU-R predicted value. Hence, ITU-R recommendation for regression coefficients of rain specific attenuation is not suitable for predicting rain attenuation at Malaysia.

At-line determination of pharmaceuticals small molecule's blending end point using chemometric modeling combined with Fourier transform near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Tewari, Jagdish; Strong, Richard; Boulas, Pierre

2017-02-01

This article summarizes the development and validation of a Fourier transform near infrared spectroscopy (FT-NIR) method for the rapid at-line prediction of active pharmaceutical ingredient (API) in a powder blend to optimize small molecule formulations. The method was used to determine the blend uniformity end-point for a pharmaceutical solid dosage formulation containing a range of API concentrations. A set of calibration spectra from samples with concentrations ranging from 1% to 15% of API (w/w) were collected at-line from 4000 to 12,500 cm- 1. The ability of the FT-NIR method to predict API concentration in the blend samples was validated against a reference high performance liquid chromatography (HPLC) method. The prediction efficiency of four different types of multivariate data modeling methods such as partial least-squares 1 (PLS1), partial least-squares 2 (PLS2), principal component regression (PCR) and artificial neural network (ANN), were compared using relevant multivariate figures of merit. The prediction ability of the regression models were cross validated against results generated with the reference HPLC method. PLS1 and ANN showed excellent and superior prediction abilities when compared to PLS2 and PCR. Based upon these results and because of its decreased complexity compared to ANN, PLS1 was selected as the best chemometric method to predict blend uniformity at-line. The FT-NIR measurement and the associated chemometric analysis were implemented in the production environment for rapid at-line determination of the end-point of the small molecule blending operation. FIGURE 1: Correlation coefficient vs Rank plot FIGURE 2: FT-NIR spectra of different steps of Blend and final blend FIGURE 3: Predictions ability of PCR FIGURE 4: Blend uniformity predication ability of PLS2 FIGURE 5: Prediction efficiency of blend uniformity using ANN FIGURE 6: Comparison of prediction efficiency of chemometric models TABLE 1: Order of Addition for Blending Steps

Near infra red spectroscopy as a multivariate process analytical tool for predicting pharmaceutical co-crystal concentration.

PubMed

Wood, Clive; Alwati, Abdolati; Halsey, Sheelagh; Gough, Tim; Brown, Elaine; Kelly, Adrian; Paradkar, Anant

2016-09-10

The use of near infra red spectroscopy to predict the concentration of two pharmaceutical co-crystals; 1:1 ibuprofen-nicotinamide (IBU-NIC) and 1:1 carbamazepine-nicotinamide (CBZ-NIC) has been evaluated. A partial least squares (PLS) regression model was developed for both co-crystal pairs using sets of standard samples to create calibration and validation data sets with which to build and validate the models. Parameters such as the root mean square error of calibration (RMSEC), root mean square error of prediction (RMSEP) and correlation coefficient were used to assess the accuracy and linearity of the models. Accurate PLS regression models were created for both co-crystal pairs which can be used to predict the co-crystal concentration in a powder mixture of the co-crystal and the active pharmaceutical ingredient (API). The IBU-NIC model had smaller errors than the CBZ-NIC model, possibly due to the complex CBZ-NIC spectra which could reflect the different arrangement of hydrogen bonding associated with the co-crystal compared to the IBU-NIC co-crystal. These results suggest that NIR spectroscopy can be used as a PAT tool during a variety of pharmaceutical co-crystal manufacturing methods and the presented data will facilitate future offline and in-line NIR studies involving pharmaceutical co-crystals. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Hyperspectral characteristics of Celosia argentea which lived in manganese stress environment and inversion model for concentration effect of manganese

NASA Astrophysics Data System (ADS)

Chen, Sanming; Lin, Gang; Yin, Xianyang; Sun, Xiaolin; Xu, Jiasheng; Liu, Zhiying

2015-12-01

Sedimentary manganese deposits widely distribute in North Guangxi with the characteristic existing Celosia argentea. Celosia argentea is a kind of plant which has a strong ability to enrich manganese. In order to study the relationship between the hyperspectral characteristics of Celosia argentea and the concentration effect of manganese in the soil, we used soil of B layer in mining area, background soil and the soil adding reagent of MnCl4 to make up experimental sample soil with 10 levels Manganese content for the same batch Celosia argentea. The levels are 0mg/kg, 4500mg/kg, 9000mg/kg, 13500mg/kg, 18000mg/kg, 18020mg/kg, 18040mg/kg, 18080mg/kg, 18160mg/kg. ASD FieldSpec-4 has been used to measure the abnormal spectrums of these Celosia argentea through a whole growth cycle. After pretreating the spectral data, we used Successive Projections Algorithm (SPA) to extract the characteristic variables for extracting 1603 bands into 8 bands. Finally, the relationship between the spectral variables and the concentration of manganese was predicted by the Model of Partial Least Squares Regression (PLSR). The results show that the correlation coefficient-r2 are 0.8714 and 0.9141 in two sets of data. The prediction results are satisfactory, but the front 5 groups are closer to the regression line than the last 5 groups.

VIS-NIR spectroscopy as a process analytical technology for compositional characterization of film biopolymers and correlation with their mechanical properties.

PubMed

Barbin, Douglas Fernandes; Valous, Nektarios A; Dias, Adriana Passos; Camisa, Jaqueline; Hirooka, Elisa Yoko; Yamashita, Fabio

2015-11-01

There is an increasing interest in the use of polysaccharides and proteins for the production of biodegradable films. Visible and near-infrared (VIS-NIR) spectroscopy is a reliable analytical tool for objective analyses of biological sample attributes. The objective is to investigate the potential of VIS-NIR spectroscopy as a process analytical technology for compositional characterization of biodegradable materials and correlation to their mechanical properties. Biofilms were produced by single-screw extrusion with different combinations of polybutylene adipate-co-terephthalate, whole oat flour, glycerol, magnesium stearate, and citric acid. Spectral data were recorded in the range of 400-2498nm at 2nm intervals. Partial least square regression was used to investigate the correlation between spectral information and mechanical properties. Results show that spectral information is influenced by the major constituent components, as they are clustered according to polybutylene adipate-co-terephthalate content. Results for regression models using the spectral information as predictor of tensile properties achieved satisfactory results, with coefficients of prediction (R(2)C) of 0.83, 0.88 and 0.92 (calibration models) for elongation, tensile strength, and Young's modulus, respectively. Results corroborate the correlation of NIR spectra with tensile properties, showing that NIR spectroscopy has potential as a rapid analytical technology for non-destructive assessment of the mechanical properties of the films. Copyright © 2015 Elsevier B.V. All rights reserved.

Rapid and Cost-Effective Quantification of Glucosinolates and Total Phenolic Content in Rocket Leaves by Visible/Near-Infrared Spectroscopy.

PubMed

Toledo-Martín, Eva María; Font, Rafael; Obregón-Cano, Sara; De Haro-Bailón, Antonio; Villatoro-Pulido, Myriam; Del Río-Celestino, Mercedes

2017-05-20

The potential of visible-near infrared spectroscopy to predict glucosinolates and total phenolic content in rocket ( Eruca vesicaria ) leaves has been evaluated. Accessions of the E. vesicaria species were scanned by NIRS as ground leaf, and their reference values regressed against different spectral transformations by modified partial least squares (MPLS) regression. The coefficients of determination in the external validation (R²VAL) for the different quality components analyzed in rocket ranged from 0.59 to 0.84, which characterize those equations as having from good to excellent quantitative information. These results show that the total glucosinolates, glucosativin and glucoerucin equations obtained, can be used to identify those samples with low and high contents. The glucoraphanin equation obtained can be used for rough predictions of samples and in case of total phenolic content, the equation showed good correlation. The standard deviation (SD) to standard error of prediction ratio (RPD) and SD to range (RER) were variable for the different quality compounds and showed values that were characteristic of equations suitable for screening purposes or to perform accurate analyses. From the study of the MPLS loadings of the first three terms of the different equations, it can be concluded that some major cell components such as protein and cellulose, highly participated in modelling the equations for glucosinolates.

Determination of Al Content in Commercial Samples through Stoichiometry: A Simple Experiment for an Advanced High-School Chemistry Olympiad Preparatory Course

ERIC Educational Resources Information Center

de Lima, Kassio M. G.; da Silva, Amison R. L.; de Souza, Joao P. F.; das Neves, Luiz S.; Gasparotto, Luiz H. S.

2014-01-01

Stoichiometry has always been a puzzling subject. This may be partially due to the way it is introduced to students, with stoichiometric coefficients usually provided in the reaction. If the stoichiometric coefficients are not given, students find it very difficult to solve problems. This article describes a simple 4-h laboratory experiment for…

Merchantable sawlog and bole-length equations for the Northeastern United States

Treesearch

Daniel A. Yaussy; Martin E. Dale; Martin E. Dale

1991-01-01

A modified Richards growth model is used to develop species-specific coefficients for equations estimating the merchantable sawlog and bole lengths of trees from 25 species groups common to the Northeastern United States. These regression coefficients have been incorporated into the growth-and-yield simulation software, NE-TWIGS.

Correlation-coefficient-based fast template matching through partial elimination.

PubMed

Mahmood, Arif; Khan, Sohaib

2012-04-01

Partial computation elimination techniques are often used for fast template matching. At a particular search location, computations are prematurely terminated as soon as it is found that this location cannot compete with an already known best match location. Due to the nonmonotonic growth pattern of the correlation-based similarity measures, partial computation elimination techniques have been traditionally considered inapplicable to speed up these measures. In this paper, we show that partial elimination techniques may be applied to a correlation coefficient by using a monotonic formulation, and we propose basic-mode and extended-mode partial correlation elimination algorithms for fast template matching. The basic-mode algorithm is more efficient on small template sizes, whereas the extended mode is faster on medium and larger templates. We also propose a strategy to decide which algorithm to use for a given data set. To achieve a high speedup, elimination algorithms require an initial guess of the peak correlation value. We propose two initialization schemes including a coarse-to-fine scheme for larger templates and a two-stage technique for small- and medium-sized templates. Our proposed algorithms are exact, i.e., having exhaustive equivalent accuracy, and are compared with the existing fast techniques using real image data sets on a wide variety of template sizes. While the actual speedups are data dependent, in most cases, our proposed algorithms have been found to be significantly faster than the other algorithms.

Background stratified Poisson regression analysis of cohort data.

PubMed

Richardson, David B; Langholz, Bryan

2012-03-01

Background stratified Poisson regression is an approach that has been used in the analysis of data derived from a variety of epidemiologically important studies of radiation-exposed populations, including uranium miners, nuclear industry workers, and atomic bomb survivors. We describe a novel approach to fit Poisson regression models that adjust for a set of covariates through background stratification while directly estimating the radiation-disease association of primary interest. The approach makes use of an expression for the Poisson likelihood that treats the coefficients for stratum-specific indicator variables as 'nuisance' variables and avoids the need to explicitly estimate the coefficients for these stratum-specific parameters. Log-linear models, as well as other general relative rate models, are accommodated. This approach is illustrated using data from the Life Span Study of Japanese atomic bomb survivors and data from a study of underground uranium miners. The point estimate and confidence interval obtained from this 'conditional' regression approach are identical to the values obtained using unconditional Poisson regression with model terms for each background stratum. Moreover, it is shown that the proposed approach allows estimation of background stratified Poisson regression models of non-standard form, such as models that parameterize latency effects, as well as regression models in which the number of strata is large, thereby overcoming the limitations of previously available statistical software for fitting background stratified Poisson regression models.

Advanced statistics: linear regression, part II: multiple linear regression.

PubMed

Marill, Keith A

2004-01-01

The applications of simple linear regression in medical research are limited, because in most situations, there are multiple relevant predictor variables. Univariate statistical techniques such as simple linear regression use a single predictor variable, and they often may be mathematically correct but clinically misleading. Multiple linear regression is a mathematical technique used to model the relationship between multiple independent predictor variables and a single dependent outcome variable. It is used in medical research to model observational data, as well as in diagnostic and therapeutic studies in which the outcome is dependent on more than one factor. Although the technique generally is limited to data that can be expressed with a linear function, it benefits from a well-developed mathematical framework that yields unique solutions and exact confidence intervals for regression coefficients. Building on Part I of this series, this article acquaints the reader with some of the important concepts in multiple regression analysis. These include multicollinearity, interaction effects, and an expansion of the discussion of inference testing, leverage, and variable transformations to multivariate models. Examples from the first article in this series are expanded on using a primarily graphic, rather than mathematical, approach. The importance of the relationships among the predictor variables and the dependence of the multivariate model coefficients on the choice of these variables are stressed. Finally, concepts in regression model building are discussed.

Association between Stereotactic Radiotherapy and Death from Brain Metastases of Epithelial Ovarian Cancer: a Gliwice Data Re-Analysis with Penalization

PubMed

Tukiendorf, Andrzej; Mansournia, Mohammad Ali; Wydmański, Jerzy; Wolny-Rokicka, Edyta

2017-04-01

Background: Clinical datasets for epithelial ovarian cancer brain metastatic patients are usually small in size. When adequate case numbers are lacking, resulting estimates of regression coefficients may demonstrate bias. One of the direct approaches to reduce such sparse-data bias is based on penalized estimation. Methods: A re- analysis of formerly reported hazard ratios in diagnosed patients was performed using penalized Cox regression with a popular SAS package providing additional software codes for a statistical computational procedure. Results: It was found that the penalized approach can readily diminish sparse data artefacts and radically reduce the magnitude of estimated regression coefficients. Conclusions: It was confirmed that classical statistical approaches may exaggerate regression estimates or distort study interpretations and conclusions. The results support the thesis that penalization via weak informative priors and data augmentation are the safest approaches to shrink sparse data artefacts frequently occurring in epidemiological research. Creative Commons Attribution License

REGRES: A FORTRAN-77 program to calculate nonparametric and ``structural'' parametric solutions to bivariate regression equations

NASA Astrophysics Data System (ADS)

Rock, N. M. S.; Duffy, T. R.

REGRES allows a range of regression equations to be calculated for paired sets of data values in which both variables are subject to error (i.e. neither is the "independent" variable). Nonparametric regressions, based on medians of all possible pairwise slopes and intercepts, are treated in detail. Estimated slopes and intercepts are output, along with confidence limits, Spearman and Kendall rank correlation coefficients. Outliers can be rejected with user-determined stringency. Parametric regressions can be calculated for any value of λ (the ratio of the variances of the random errors for y and x)—including: (1) major axis ( λ = 1); (2) reduced major axis ( λ = variance of y/variance of x); (3) Y on Xλ = infinity; or (4) X on Y ( λ = 0) solutions. Pearson linear correlation coefficients also are output. REGRES provides an alternative to conventional isochron assessment techniques where bivariate normal errors cannot be assumed, or weighting methods are inappropriate.

Hyper-Spectral Image Analysis With Partially Latent Regression and Spatial Markov Dependencies

NASA Astrophysics Data System (ADS)

Deleforge, Antoine; Forbes, Florence; Ba, Sileye; Horaud, Radu

2015-09-01

Hyper-spectral data can be analyzed to recover physical properties at large planetary scales. This involves resolving inverse problems which can be addressed within machine learning, with the advantage that, once a relationship between physical parameters and spectra has been established in a data-driven fashion, the learned relationship can be used to estimate physical parameters for new hyper-spectral observations. Within this framework, we propose a spatially-constrained and partially-latent regression method which maps high-dimensional inputs (hyper-spectral images) onto low-dimensional responses (physical parameters such as the local chemical composition of the soil). The proposed regression model comprises two key features. Firstly, it combines a Gaussian mixture of locally-linear mappings (GLLiM) with a partially-latent response model. While the former makes high-dimensional regression tractable, the latter enables to deal with physical parameters that cannot be observed or, more generally, with data contaminated by experimental artifacts that cannot be explained with noise models. Secondly, spatial constraints are introduced in the model through a Markov random field (MRF) prior which provides a spatial structure to the Gaussian-mixture hidden variables. Experiments conducted on a database composed of remotely sensed observations collected from the Mars planet by the Mars Express orbiter demonstrate the effectiveness of the proposed model.

Application of Temperature Sensitivities During Iterative Strain-Gage Balance Calibration Analysis

NASA Technical Reports Server (NTRS)

Ulbrich, N.

2011-01-01

A new method is discussed that may be used to correct wind tunnel strain-gage balance load predictions for the influence of residual temperature effects at the location of the strain-gages. The method was designed for the iterative analysis technique that is used in the aerospace testing community to predict balance loads from strain-gage outputs during a wind tunnel test. The new method implicitly applies temperature corrections to the gage outputs during the load iteration process. Therefore, it can use uncorrected gage outputs directly as input for the load calculations. The new method is applied in several steps. First, balance calibration data is analyzed in the usual manner assuming that the balance temperature was kept constant during the calibration. Then, the temperature difference relative to the calibration temperature is introduced as a new independent variable for each strain--gage output. Therefore, sensors must exist near the strain--gages so that the required temperature differences can be measured during the wind tunnel test. In addition, the format of the regression coefficient matrix needs to be extended so that it can support the new independent variables. In the next step, the extended regression coefficient matrix of the original calibration data is modified by using the manufacturer specified temperature sensitivity of each strain--gage as the regression coefficient of the corresponding temperature difference variable. Finally, the modified regression coefficient matrix is converted to a data reduction matrix that the iterative analysis technique needs for the calculation of balance loads. Original calibration data and modified check load data of NASA's MC60D balance are used to illustrate the new method.

Finite field equation of Yang--Mills theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brandt, R.A.; Wing-Chiu, N.; Yeung, W.

1980-03-01

We consider the finite local field equation -)(1+1/..cap alpha.. (1+f/sub 4/))g/sup munu/D'Alembertian-partial/sup ..mu../partial/sup ..nu../)A/sup nua/ =-(1+f/sub 3/) g/sup 2/N(A/sup c/..nu..A/sup a/..mu..A/sub ..nu..//sup c/) +xxx+(1-s)/sup 2/M/sup 2/A/sup a/..mu.., introduced by Lowenstein to rigorously describe SU(2) Yang--Mills theory, which is written in terms of normal products. We also consider the operator product expansion A/sup c/..nu..(x+xi) A/sup a/..mu..(x) A/sup b/lambda(x-xi) approx...sigma..M/sup c/ab..nu mu..lambda/sub c/'a'b'..nu..'..mu..'lambda' (xi) N(A/sup nuprimec/'A/sup muprimea/'A/sup lambdaprimeb/')(x), and using asymptotic freedom, we compute the leading behavior of the Wilson coefficients M/sup ...//sub .../(xi) with the help of a computer, and express the normal products in the field equation in terms ofmore » products of the c-number Wilson coefficients and of operator products like A/sup c/..nu..(x+xi) A/sup a/..mu..(x) A/sup b/lambda(x-xi) at separated points. Our result is -)(1+(1/..cap alpha..)(1+f/sub 4/))g/sup munu/D'Alembertian-partial/sup ..mu../partial/sup ..nu../)A/sup nua/ =-(1+f/sub 3/) g/sup 2/lim/sub xiarrow-right0/) (lnxi)/sup -0.28/2b/(A/sup c/..nu.. (x+xi) A/sup a/..mu..(x) A/sub ..nu..//sup c/(x-xi) +epsilon/sup a/bcA/sup muc/(x+xi) partial/sup ..nu../A/sup b//sub ..nu../(x)+xxx) +xxx)+(1-s)/sup 2/M/sup 2/A/sup a/..mu.., where ..beta.. (g) =-bg/sup 3/, and so (lnxi)/sup -0.28/2b/ is the leading behavior of the c-number coefficient multiplying the operator products in the field equation.« less

Enhanced Scattering of Diffuse Ions on Front of the Earth's Quasi-Parallel Bow Shock: a Case Study

NASA Astrophysics Data System (ADS)

Kis, A.; Matsukiyo, S.; Otsuka, F.; Hada, T.; Lemperger, I.; Dandouras, I. S.; Barta, V.; Facsko, G. I.

2017-12-01

In the analysis we present a case study of three energetic upstream ion events at the Earth's quasi-parallel bow shock based on multi-spacecraft data recorded by Cluster. The CIS-HIA instrument onboard Cluster provides partial energetic ion densities in 4 energy channels between 10 and 32 keV.The difference of the partial ion densities recorded by the individual spacecraft at various distances from the bow shock surface makes possible the determination of the spatial gradient of energetic ions.Using the gradient values we determined the spatial profile of the energetic ion partial densities as a function of distance from the bow shock and we calculated the e-folding distance and the diffusion coefficient for each event and each ion energy range. Results show that in two cases the scattering of diffuse ions takes place in a normal way, as "by the book", and the e-folding distance and diffusion coefficient values are comparable with previous results. On the other hand, in the third case the e-folding distance and the diffusion coefficient values are significantly lower, which suggests that in this case the scattering process -and therefore the diffusive shock acceleration (DSA) mechanism also- is much more efficient. Our analysis provides an explanation for this "enhanced" scattering process recorded in the third case.

The longitudinal association between social functioning and theory of mind in first-episode psychosis.

PubMed

Sullivan, Sarah; Lewis, Glyn; Mohr, Christine; Herzig, Daniela; Corcoran, Rhiannon; Drake, Richard; Evans, Jonathan

2014-01-01

There is some cross-sectional evidence that theory of mind ability is associated with social functioning in those with psychosis but the direction of this relationship is unknown. This study investigates the longitudinal association between both theory of mind and psychotic symptoms and social functioning outcome in first-episode psychosis. Fifty-four people with first-episode psychosis were followed up at 6 and 12 months. Random effects regression models were used to estimate the stability of theory of mind over time and the association between baseline theory of mind and psychotic symptoms and social functioning outcome. Neither baseline theory of mind ability (regression coefficients: Hinting test 1.07 95% CI -0.74, 2.88; Visual Cartoon test -2.91 95% CI -7.32, 1.51) nor baseline symptoms (regression coefficients: positive symptoms -0.04 95% CI -1.24, 1.16; selected negative symptoms -0.15 95% CI -2.63, 2.32) were associated with social functioning outcome. There was evidence that theory of mind ability was stable over time, (regression coefficients: Hinting test 5.92 95% CI -6.66, 8.92; Visual Cartoon test score 0.13 95% CI -0.17, 0.44). Neither baseline theory of mind ability nor psychotic symptoms are associated with social functioning outcome. Further longitudinal work is needed to understand the origin of social functioning deficits in psychosis.

Partial-Wave Representations of Laser Beams for Use in Light-Scattering Calculations

NASA Technical Reports Server (NTRS)

Gouesbet, Gerard; Lock, James A.; Grehan, Gerard

1995-01-01

In the framework of generalized Lorenz-Mie theory, laser beams are described by sets of beam-shape coefficients. The modified localized approximation to evaluate these coefficients for a focused Gaussian beam is presented. A new description of Gaussian beams, called standard beams, is introduced. A comparison is made between the values of the beam-shape coefficients in the framework of the localized approximation and the beam-shape coefficients of standard beams. This comparison leads to new insights concerning the electromagnetic description of laser beams. The relevance of our discussion is enhanced by a demonstration that the localized approximation provides a very satisfactory description of top-hat beams as well.

Partial Least Squares Regression Can Aid in Detecting Differential Abundance of Multiple Features in Sets of Metagenomic Samples

PubMed Central

Libiger, Ondrej; Schork, Nicholas J.

2015-01-01

It is now feasible to examine the composition and diversity of microbial communities (i.e., “microbiomes”) that populate different human organs and orifices using DNA sequencing and related technologies. To explore the potential links between changes in microbial communities and various diseases in the human body, it is essential to test associations involving different species within and across microbiomes, environmental settings and disease states. Although a number of statistical techniques exist for carrying out relevant analyses, it is unclear which of these techniques exhibit the greatest statistical power to detect associations given the complexity of most microbiome datasets. We compared the statistical power of principal component regression, partial least squares regression, regularized regression, distance-based regression, Hill's diversity measures, and a modified test implemented in the popular and widely used microbiome analysis methodology “Metastats” across a wide range of simulated scenarios involving changes in feature abundance between two sets of metagenomic samples. For this purpose, simulation studies were used to change the abundance of microbial species in a real dataset from a published study examining human hands. Each technique was applied to the same data, and its ability to detect the simulated change in abundance was assessed. We hypothesized that a small subset of methods would outperform the rest in terms of the statistical power. Indeed, we found that the Metastats technique modified to accommodate multivariate analysis and partial least squares regression yielded high power under the models and data sets we studied. The statistical power of diversity measure-based tests, distance-based regression and regularized regression was significantly lower. Our results provide insight into powerful analysis strategies that utilize information on species counts from large microbiome data sets exhibiting skewed frequency distributions obtained on a small to moderate number of samples. PMID:26734061

Use of Empirical Estimates of Shrinkage in Multiple Regression: A Caution.

ERIC Educational Resources Information Center

Kromrey, Jeffrey D.; Hines, Constance V.

1995-01-01

The accuracy of four empirical techniques to estimate shrinkage in multiple regression was studied through Monte Carlo simulation. None of the techniques provided unbiased estimates of the population squared multiple correlation coefficient, but the normalized jackknife and bootstrap techniques demonstrated marginally acceptable performance with…

Enhance-Synergism and Suppression Effects in Multiple Regression

ERIC Educational Resources Information Center

Lipovetsky, Stan; Conklin, W. Michael

2004-01-01

Relations between pairwise correlations and the coefficient of multiple determination in regression analysis are considered. The conditions for the occurrence of enhance-synergism and suppression effects when multiple determination becomes bigger than the total of squared correlations of the dependent variable with the regressors are discussed. It…

Learning curve of office-based ultrasonography for rotator cuff tendons tears.

PubMed

Ok, Ji-Hoon; Kim, Yang-Soo; Kim, Jung-Man; Yoo, Tae-Wook

2013-07-01

To compare the accuracy of ultrasonography and MR arthrography (MRA) imaging in detecting of rotator cuff tears with arthroscopic finding used as the reference standard. The ultrasonography and MRA findings of 51 shoulders that underwent the arthroscopic surgery were prospectively analysed. Two orthopaedic doctors independently performed ultrasonography and interpreted the findings at the office. The tear size measured at ultrasonography and MRA was compared with the size measured at surgery using Pearson correlation coefficients (r). The sensitivity, specificity, accuracy, positive predictive value, negative predictive value and false-positive rate were calculated for a diagnosis of partial-and full-thickness rotator cuff tears. The kappa coefficient was calculated to verify the inter-observer agreement. The sensitivity of ultrasonography and MRA for detecting partial-thickness tears was 45.5 and 72.7 %, and that for full-thickness tears was 80.0 and 100 %, respectively. The accuracy of ultrasonograpy and MRA for detecting partial-thickness tears was 45.1 and 88.2 %, and that for full-thickness tears was 82.4 and 98 %, respectively. Tear size measured based on ultrasonography examination showed a poor correlation with the size measured at arthroscopic surgery (r = 0.21; p < 0.05). However, tear size estimated by MRA showed a strong correlation (r = 0.75; p < 0.05). The kappa coefficient was 0.47 between the two independent examiners. The accuracy of office-based ultrasonography for beginner orthopaedic surgeons to detect full-thickness rotator cuff tears was comparable to that of MRA but was less accurate for detecting partial-thickness tears and torn size measurement. Inter-observer agreement on the interpretation was fair. These results highlight the importance of the correct technique and experience in operation of ultrasonography in shoulder joint. Diagnostic study, Level II.

Analytic expressions for perturbations and partial derivatives of range and range rate of a spacecraft with respect to the coefficient of the second harmonic

NASA Technical Reports Server (NTRS)

Georgevic, R. M.

1973-01-01

Closed-form analytic expressions for the time variations of instantaneous orbital parameters and of the topocentric range and range rate of a spacecraft moving in the gravitational field of an oblate large body are derived using a first-order variation of parameters technique. In addition, the closed-form analytic expressions for the partial derivatives of the topocentric range and range rate are obtained, with respect to the coefficient of the second harmonic of the potential of the central body (J sub 2). The results are applied to the motion of a point-mass spacecraft moving in the orbit around the equatorially elliptic, oblate sun, with J sub 2 approximately equal to .000027.

Error Covariance Penalized Regression: A novel multivariate model combining penalized regression with multivariate error structure.

PubMed

Allegrini, Franco; Braga, Jez W B; Moreira, Alessandro C O; Olivieri, Alejandro C

2018-06-29

A new multivariate regression model, named Error Covariance Penalized Regression (ECPR) is presented. Following a penalized regression strategy, the proposed model incorporates information about the measurement error structure of the system, using the error covariance matrix (ECM) as a penalization term. Results are reported from both simulations and experimental data based on replicate mid and near infrared (MIR and NIR) spectral measurements. The results for ECPR are better under non-iid conditions when compared with traditional first-order multivariate methods such as ridge regression (RR), principal component regression (PCR) and partial least-squares regression (PLS). Copyright © 2018 Elsevier B.V. All rights reserved.

Relationship between the magnitude of the inbreeding coefficient and milk traits in Holstein and Jersey dairy bull semen used in Brazil.

PubMed

Soares, M P; Gaya, L G; Lorentz, L H; Batistel, F; Rovadoscki, G A; Ticiani, E; Zabot, V; Di Domenico, Q; Madureira, A P; Pértile, S F N

2011-09-06

Artificial insemination has been used to improve production in Brazilian dairy cattle; however, this can lead to problems due to increased inbreeding. To evaluate the effect of the magnitude of inbreeding coefficients on predicted transmitting abilities (PTAs) for milk traits of Holstein and Jersey breeds, data on 392 Holstein and 92 Jersey sires used in Brazil were tabulated. The second-degree polynomial equations and points of maximum or minimal response were estimated to establish the regression equation of the variables as a function of the inbreeding coefficients. The mean inbreeding coefficient of the Holstein bulls was 5.10%; this did not significantly affect the PTA for percent milk fat, protein percentage and protein (P = 0.479, 0.058 and 0.087, respectively). However, the PTAs for milk yield and fat decreased significantly after reaching inbreeding coefficients of 6.43 (P = 0.034) and 5.75 (P = 0.007), respectively. The mean inbreeding coefficient of Jersey bulls was 6.45%; the PTAs for milk yield, fat and protein, in pounds, decreased significantly after reaching inbreeding coefficients of 15.04, 9.83 and 12.82% (P < 0.001, P = 0.002, and P = 0.001, respectively). The linear regression was only significant for fat and protein percentages in the Jersey breed (P = 0.002 and P = 0.005, respectively). The PTAs of Holstein sires were more affected by smaller magnitudes of inbreeding coefficients than those of Jersey sires. It is necessary to monitor the inbreeding coefficients of sires used for artificial insemination in breeding schemes in Brazil, since the low genetic variability of the available sires may lead to reduced production.

Analyzing degradation data with a random effects spline regression model

DOE PAGES

Fugate, Michael Lynn; Hamada, Michael Scott; Weaver, Brian Phillip

2017-03-17

This study proposes using a random effects spline regression model to analyze degradation data. Spline regression avoids having to specify a parametric function for the true degradation of an item. A distribution for the spline regression coefficients captures the variation of the true degradation curves from item to item. We illustrate the proposed methodology with a real example using a Bayesian approach. The Bayesian approach allows prediction of degradation of a population over time and estimation of reliability is easy to perform.

Analyzing degradation data with a random effects spline regression model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fugate, Michael Lynn; Hamada, Michael Scott; Weaver, Brian Phillip

This study proposes using a random effects spline regression model to analyze degradation data. Spline regression avoids having to specify a parametric function for the true degradation of an item. A distribution for the spline regression coefficients captures the variation of the true degradation curves from item to item. We illustrate the proposed methodology with a real example using a Bayesian approach. The Bayesian approach allows prediction of degradation of a population over time and estimation of reliability is easy to perform.

Influence of soil pH on the sorption of ionizable chemicals: modeling advances.

PubMed

Franco, Antonio; Fu, Wenjing; Trapp, Stefan

2009-03-01

The soil-water distribution coefficient of ionizable chemicals (K(d)) depends on the soil acidity, mainly because the pH governs speciation. Using pH-specific K(d) values normalized to organic carbon (K(OC)) from the literature, a method was developed to estimate the K(OC) of monovalent organic acids and bases. The regression considers pH-dependent speciation and species-specific partition coefficients, calculated from the dissociation constant (pK(a)) and the octanol-water partition coefficient of the neutral molecule (log P(n)). Probably because of the lower pH near the organic colloid-water interface, the optimal pH to model dissociation was lower than the bulk soil pH. The knowledge of the soil pH allows calculation of the fractions of neutral and ionic molecules in the system, thus improving the existing regression for acids. The same approach was not successful with bases, for which the impact of pH on the total sorption is contrasting. In fact, the shortcomings of the model assumptions affect the predictive power for acids and for bases differently. We evaluated accuracy and limitations of the regressions for their use in the environmental fate assessment of ionizable chemicals.

The Bayesian group lasso for confounded spatial data

USGS Publications Warehouse

Hefley, Trevor J.; Hooten, Mevin B.; Hanks, Ephraim M.; Russell, Robin E.; Walsh, Daniel P.

2017-01-01

Generalized linear mixed models for spatial processes are widely used in applied statistics. In many applications of the spatial generalized linear mixed model (SGLMM), the goal is to obtain inference about regression coefficients while achieving optimal predictive ability. When implementing the SGLMM, multicollinearity among covariates and the spatial random effects can make computation challenging and influence inference. We present a Bayesian group lasso prior with a single tuning parameter that can be chosen to optimize predictive ability of the SGLMM and jointly regularize the regression coefficients and spatial random effect. We implement the group lasso SGLMM using efficient Markov chain Monte Carlo (MCMC) algorithms and demonstrate how multicollinearity among covariates and the spatial random effect can be monitored as a derived quantity. To test our method, we compared several parameterizations of the SGLMM using simulated data and two examples from plant ecology and disease ecology. In all examples, problematic levels multicollinearity occurred and influenced sampling efficiency and inference. We found that the group lasso prior resulted in roughly twice the effective sample size for MCMC samples of regression coefficients and can have higher and less variable predictive accuracy based on out-of-sample data when compared to the standard SGLMM.

Genetic parameters for stayability to consecutive calvings in Zebu cattle.

PubMed

Silva, D O; Santana, M L; Ayres, D R; Menezes, G R O; Silva, L O C; Nobre, P R C; Pereira, R J

2017-12-22

Longer-lived cows tend to be more profitable and the stayability trait is a selection criterion correlated to longevity. An alternative to the traditional approach to evaluate stayability is its definition based on consecutive calvings, whose main advantage is the more accurate evaluation of young bulls. However, no study using this alternative approach has been conducted for Zebu breeds. Therefore, the objective of this study was to compare linear random regression models to fit stayability to consecutive calvings of Guzerá, Nelore and Tabapuã cows and to estimate genetic parameters for this trait in the respective breeds. Data up to the eighth calving were used. The models included the fixed effects of age at first calving and year-season of birth of the cow and the random effects of contemporary group, additive genetic, permanent environmental and residual. Random regressions were modeled by orthogonal Legendre polynomials of order 1 to 4 (2 to 5 coefficients) for contemporary group, additive genetic and permanent environmental effects. Using Deviance Information Criterion as the selection criterion, the model with 4 regression coefficients for each effect was the most adequate for the Nelore and Tabapuã breeds and the model with 5 coefficients is recommended for the Guzerá breed. For Guzerá, heritabilities ranged from 0.05 to 0.08, showing a quadratic trend with a peak between the fourth and sixth calving. For the Nelore and Tabapuã breeds, the estimates ranged from 0.03 to 0.07 and from 0.03 to 0.08, respectively, and increased with increasing calving number. The additive genetic correlations exhibited a similar trend among breeds and were higher for stayability between closer calvings. Even between more distant calvings (second v. eighth), stayability showed a moderate to high genetic correlation, which was 0.77, 0.57 and 0.79 for the Guzerá, Nelore and Tabapuã breeds, respectively. For Guzerá, when the models with 4 or 5 regression coefficients were compared, the rank correlations between predicted breeding values for the intercept were always higher than 0.99, indicating the possibility of practical application of the least parameterized model. In conclusion, the model with 4 random regression coefficients is recommended for the genetic evaluation of stayability to consecutive calvings in Zebu cattle.

Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding.

PubMed

Xu, Yun; Muhamadali, Howbeer; Sayqal, Ali; Dixon, Neil; Goodacre, Royston

2016-10-28

Partial least squares (PLS) is one of the most commonly used supervised modelling approaches for analysing multivariate metabolomics data. PLS is typically employed as either a regression model (PLS-R) or a classification model (PLS-DA). However, in metabolomics studies it is common to investigate multiple, potentially interacting, factors simultaneously following a specific experimental design. Such data often cannot be considered as a "pure" regression or a classification problem. Nevertheless, these data have often still been treated as a regression or classification problem and this could lead to ambiguous results. In this study, we investigated the feasibility of designing a hybrid target matrix Y that better reflects the experimental design than simple regression or binary class membership coding commonly used in PLS modelling. The new design of Y coding was based on the same principle used by structural modelling in machine learning techniques. Two real metabolomics datasets were used as examples to illustrate how the new Y coding can improve the interpretability of the PLS model compared to classic regression/classification coding.

The Use of Structure Coefficients to Address Multicollinearity in Sport and Exercise Science

ERIC Educational Resources Information Center

Yeatts, Paul E.; Barton, Mitch; Henson, Robin K.; Martin, Scott B.

2017-01-01

A common practice in general linear model (GLM) analyses is to interpret regression coefficients (e.g., standardized ß weights) as indicators of variable importance. However, focusing solely on standardized beta weights may provide limited or erroneous information. For example, ß weights become increasingly unreliable when predictor variables are…

Metabolic control analysis using transient metabolite concentrations. Determination of metabolite concentration control coefficients.

PubMed Central

Delgado, J; Liao, J C

1992-01-01

The methodology previously developed for determining the Flux Control Coefficients [Delgado & Liao (1992) Biochem. J. 282, 919-927] is extended to the calculation of metabolite Concentration Control Coefficients. It is shown that the transient metabolite concentrations are related by a few algebraic equations, attributed to mass balance, stoichiometric constraints, quasi-equilibrium or quasi-steady states, and kinetic regulations. The coefficients in these relations can be estimated using linear regression, and can be used to calculate the Control Coefficients. The theoretical basis and two examples are discussed. Although the methodology is derived based on the linear approximation of enzyme kinetics, it yields reasonably good estimates of the Control Coefficients for systems with non-linear kinetics. PMID:1497632

Revisiting crash spatial heterogeneity: A Bayesian spatially varying coefficients approach.

PubMed

Xu, Pengpeng; Huang, Helai; Dong, Ni; Wong, S C

2017-01-01

This study was performed to investigate the spatially varying relationships between crash frequency and related risk factors. A Bayesian spatially varying coefficients model was elaborately introduced as a methodological alternative to simultaneously account for the unstructured and spatially structured heterogeneity of the regression coefficients in predicting crash frequencies. The proposed method was appealing in that the parameters were modeled via a conditional autoregressive prior distribution, which involved a single set of random effects and a spatial correlation parameter with extreme values corresponding to pure unstructured or pure spatially correlated random effects. A case study using a three-year crash dataset from the Hillsborough County, Florida, was conducted to illustrate the proposed model. Empirical analysis confirmed the presence of both unstructured and spatially correlated variations in the effects of contributory factors on severe crash occurrences. The findings also suggested that ignoring spatially structured heterogeneity may result in biased parameter estimates and incorrect inferences, while assuming the regression coefficients to be spatially clustered only is probably subject to the issue of over-smoothness. Copyright © 2016 Elsevier Ltd. All rights reserved.

Network Approach to Understanding Emotion Dynamics in Relation to Childhood Trauma and Genetic Liability to Psychopathology: Replication of a Prospective Experience Sampling Analysis

PubMed Central

Hasmi, Laila; Drukker, Marjan; Guloksuz, Sinan; Menne-Lothmann, Claudia; Decoster, Jeroen; van Winkel, Ruud; Collip, Dina; Delespaul, Philippe; De Hert, Marc; Derom, Catherine; Thiery, Evert; Jacobs, Nele; Rutten, Bart P. F.; Wichers, Marieke; van Os, Jim

2017-01-01

Background: The network analysis of intensive time series data collected using the Experience Sampling Method (ESM) may provide vital information in gaining insight into the link between emotion regulation and vulnerability to psychopathology. The aim of this study was to apply the network approach to investigate whether genetic liability (GL) to psychopathology and childhood trauma (CT) are associated with the network structure of the emotions “cheerful,” “insecure,” “relaxed,” “anxious,” “irritated,” and “down”—collected using the ESM method. Methods: Using data from a population-based sample of twin pairs and siblings (704 individuals), we examined whether momentary emotion network structures differed across strata of CT and GL. GL was determined empirically using the level of psychopathology in monozygotic and dizygotic co-twins. Network models were generated using multilevel time-lagged regression analysis and were compared across three strata (low, medium, and high) of CT and GL, respectively. Permutations were utilized to calculate p values and compare regressions coefficients, density, and centrality indices. Regression coefficients were presented as connections, while variables represented the nodes in the network. Results: In comparison to the low GL stratum, the high GL stratum had significantly denser overall (p = 0.018) and negative affect network density (p < 0.001). The medium GL stratum also showed a directionally similar (in-between high and low GL strata) but statistically inconclusive association with network density. In contrast to GL, the results of the CT analysis were less conclusive, with increased positive affect density (p = 0.021) and overall density (p = 0.042) in the high CT stratum compared to the medium CT stratum but not to the low CT stratum. The individual node comparisons across strata of GL and CT yielded only very few significant results, after adjusting for multiple testing. Conclusions: The present findings demonstrate that the network approach may have some value in understanding the relation between established risk factors for mental disorders (particularly GL) and the dynamic interplay between emotions. The present finding partially replicates an earlier analysis, suggesting it may be instructive to model negative emotional dynamics as a function of genetic influence. PMID:29163289

Teaching Students Not to Dismiss the Outermost Observations in Regressions

ERIC Educational Resources Information Center

Kasprowicz, Tomasz; Musumeci, Jim

2015-01-01

One econometric rule of thumb is that greater dispersion in observations of the independent variable improves estimates of regression coefficients and therefore produces better results, i.e., lower standard errors of the estimates. Nevertheless, students often seem to mistrust precisely the observations that contribute the most to this greater…

Surface-water hydrology at three coal-refuse disposal sites in southern Illinois: Staunton 1, New Kathleen, and Superior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mele, L.M.; Prodan, P.F.

1983-04-01

Hydrologic data were collected and analyzed for three coal refuse disposal sites in southern Illinois. The disposal sites were associated with underground mines and consisted of piles of coarse waste (gob) and slurry areas where fine waste rejected from coal washing was deposited. Prereclamation data were available for the Superior washer site in Macoupin County and the New Kathleen site in Perry County. Post-reclamation data were available for the Staunton 1 site in Macoupin County and the New Kathleen site. Data analyzed from each phase (i.e., pre- or post-reclamation) were limited to one year. Storm event runoff coefficients were calculatedmore » for each site. Average runoff coefficients were compared for sites within the same reclamation phase to determine the effects of topographical parameters such as gob pile slope and percentage of drainage basin covered by the gob pile. Average runoff coefficients were then compared for pre- and post-reclamation data. Multiple regression analyses were performed on rainfall-runoff data for each site to determine the significance of independent variables other than rainfall in determining runoff. A generalized regression equation corrected data for topographical differences and included only those independent variables that were significant at all sites. Regression coefficients were compared for pre- and post-reclamation sites. The results of rainfall-runoff analysis indicate that the runoff coefficient increases because of reclamation. It is hypothesized that this effect is due to the placement of a soil cover that is less permeable than gob or slurry and occurs despite reduction in slope and the establishment of vegetation.« less

Impact of volunteer-related and methodology-related factors on the reproducibility of brachial artery flow-mediated vasodilation: analysis of 672 individual repeated measurements.

PubMed

van Mil, Anke C C M; Greyling, Arno; Zock, Peter L; Geleijnse, Johanna M; Hopman, Maria T; Mensink, Ronald P; Reesink, Koen D; Green, Daniel J; Ghiadoni, Lorenzo; Thijssen, Dick H

2016-09-01

Brachial artery flow-mediated dilation (FMD) is a popular technique to examine endothelial function in humans. Identifying volunteer and methodological factors related to variation in FMD is important to improve measurement accuracy and applicability. Volunteer-related and methodology-related parameters were collected in 672 volunteers from eight affiliated centres worldwide who underwent repeated measures of FMD. All centres adopted contemporary expert-consensus guidelines for FMD assessment. After calculating the coefficient of variation (%) of the FMD for each individual, we constructed quartiles (n = 168 per quartile). Based on two regression models (volunteer-related factors and methodology-related factors), statistically significant components of these two models were added to a final regression model (calculated as β-coefficient and R). This allowed us to identify factors that independently contributed to the variation in FMD%. Median coefficient of variation was 17.5%, with healthy volunteers demonstrating a coefficient of variation 9.3%. Regression models revealed age (β = 0.248, P < 0.001), hypertension (β = 0.104, P < 0.001), dyslipidemia (β = 0.331, P < 0.001), time between measurements (β = 0.318, P < 0.001), lab experience (β = -0.133, P < 0.001) and baseline FMD% (β = 0.082, P < 0.05) as contributors to the coefficient of variation. After including all significant factors in the final model, we found that time between measurements, hypertension, baseline FMD% and lab experience with FMD independently predicted brachial artery variability (total R = 0.202). Although FMD% showed good reproducibility, larger variation was observed in conditions with longer time between measurements, hypertension, less experience and lower baseline FMD%. Accounting for these factors may improve FMD% variability.

Methods for estimating low-flow statistics for Massachusetts streams

USGS Publications Warehouse

Ries, Kernell G.; Friesz, Paul J.

2000-01-01

Methods and computer software are described in this report for determining flow duration, low-flow frequency statistics, and August median flows. These low-flow statistics can be estimated for unregulated streams in Massachusetts using different methods depending on whether the location of interest is at a streamgaging station, a low-flow partial-record station, or an ungaged site where no data are available. Low-flow statistics for streamgaging stations can be estimated using standard U.S. Geological Survey methods described in the report. The MOVE.1 mathematical method and a graphical correlation method can be used to estimate low-flow statistics for low-flow partial-record stations. The MOVE.1 method is recommended when the relation between measured flows at a partial-record station and daily mean flows at a nearby, hydrologically similar streamgaging station is linear, and the graphical method is recommended when the relation is curved. Equations are presented for computing the variance and equivalent years of record for estimates of low-flow statistics for low-flow partial-record stations when either a single or multiple index stations are used to determine the estimates. The drainage-area ratio method or regression equations can be used to estimate low-flow statistics for ungaged sites where no data are available. The drainage-area ratio method is generally as accurate as or more accurate than regression estimates when the drainage-area ratio for an ungaged site is between 0.3 and 1.5 times the drainage area of the index data-collection site. Regression equations were developed to estimate the natural, long-term 99-, 98-, 95-, 90-, 85-, 80-, 75-, 70-, 60-, and 50-percent duration flows; the 7-day, 2-year and the 7-day, 10-year low flows; and the August median flow for ungaged sites in Massachusetts. Streamflow statistics and basin characteristics for 87 to 133 streamgaging stations and low-flow partial-record stations were used to develop the equations. The streamgaging stations had from 2 to 81 years of record, with a mean record length of 37 years. The low-flow partial-record stations had from 8 to 36 streamflow measurements, with a median of 14 measurements. All basin characteristics were determined from digital map data. The basin characteristics that were statistically significant in most of the final regression equations were drainage area, the area of stratified-drift deposits per unit of stream length plus 0.1, mean basin slope, and an indicator variable that was 0 in the eastern region and 1 in the western region of Massachusetts. The equations were developed by use of weighted-least-squares regression analyses, with weights assigned proportional to the years of record and inversely proportional to the variances of the streamflow statistics for the stations. Standard errors of prediction ranged from 70.7 to 17.5 percent for the equations to predict the 7-day, 10-year low flow and 50-percent duration flow, respectively. The equations are not applicable for use in the Southeast Coastal region of the State, or where basin characteristics for the selected ungaged site are outside the ranges of those for the stations used in the regression analyses. A World Wide Web application was developed that provides streamflow statistics for data collection stations from a data base and for ungaged sites by measuring the necessary basin characteristics for the site and solving the regression equations. Output provided by the Web application for ungaged sites includes a map of the drainage-basin boundary determined for the site, the measured basin characteristics, the estimated streamflow statistics, and 90-percent prediction intervals for the estimates. An equation is provided for combining regression and correlation estimates to obtain improved estimates of the streamflow statistics for low-flow partial-record stations. An equation is also provided for combining regression and drainage-area ratio estimates to obtain improved e

Influence of oxygen partial pressure on surface tension and its temperature coefficient of molten iron

NASA Astrophysics Data System (ADS)

Ozawa, S.; Suzuki, S.; Hibiya, T.; Fukuyama, H.

2011-01-01

Influences of oxygen partial pressure, PO2, of ambient atmosphere and temperature on surface tension and its temperature coefficient for molten iron were experimentally investigated by an oscillating droplet method using an electromagnetic levitation furnace. We successfully measured the surface tension of molten iron over a very wide temperature range of 780 K including undercooling condition in a well controlled PO2 atmosphere. When PO2 is fixed at 10-2 Pa at the inlet of the chamber, a "boomerang shape" temperature dependence of surface tension was experimentally observed; surface tension increased and then decreased with increasing temperature. The pure surface tension of molten iron was deduced from the negative temperature coefficient in the boomerang shape temperature dependence. When the surface tension was measured under the H2-containing gas atmosphere, surface tension did not show a linear relationship against temperature. The temperature dependence of the surface tension shows anomalous kink at around 1850 K due to competition between the temperature dependence of PO2 and that of the equilibrium constant of oxygen adsorption.

Evolution of arbitrary moments of radiant intensity distribution for partially coherent general beams in atmospheric turbulence

NASA Astrophysics Data System (ADS)

Dan, Youquan; Xu, Yonggen

2018-04-01

The evolution law of arbitrary order moments of the Wigner distribution function, which can be applied to the different spatial power spectra, is obtained for partially coherent general beams propagating in atmospheric turbulence using the extended Huygens-Fresnel principle. A coupling coefficient of radiant intensity distribution (RID) in turbulence is introduced. Analytical expressions of the evolution of the first five-order moments, kurtosis parameter, coupling coefficient of RID for general beams in turbulence are derived, and the formulas are applied to Airy beams. Results show that there exist two types for general beams in turbulence. A larger value of kurtosis parameter for Airy beams also reveals that coupling effect due to turbulence is stronger. Both theoretical analysis and numerical results show that the maximum value of kurtosis parameter for an Airy beam in turbulence is independent of turbulence strength parameter and is only determined by inner scale of turbulence. Relative angular spread, kurtosis and coupling coefficient are less influenced by turbulence for Airy beams with a smaller decay factor and a smaller initial width of the first lobe.

Transport of water and ions in partially water-saturated porous media. Part 2. Filtration effects

NASA Astrophysics Data System (ADS)

Revil, A.

2017-05-01

A new set of constitutive equations describing the transport of the ions and water through charged porous media and considering the effect of ion filtration is applied to the problem of reverse osmosis and diffusion of a salt. Starting with the constitutive equations derived in Paper 1, I first determine specific formula for the osmotic coefficient and effective diffusion coefficient of a binary symmetric 1:1 salt (such as KCl or NaCl) as a function of a dimensionless number Θ corresponding to the ratio between the cation exchange capacity (CEC) and the salinity. The modeling is first carried with the Donnan model used to describe the concentrations of the charge carriers in the pore water phase. Then a new model is developed in the thin double layer approximation to determine these concentrations. These models provide explicit relationships between the concentration of the ionic species in the pore space and those in a neutral reservoir in local equilibrium with the pore space and the CEC. The case of reverse osmosis and diffusion coefficient are analyzed in details for the case of saturated and partially saturated porous materials. Comparisons are done with experimental data from the literature obtained on bentonite. The model predicts correctly the influence of salinity (including membrane behavior at high salinities), porosity, cation type (K+ versus Na+), and water saturation on the osmotic coefficient. It also correctly predicts the dependence of the diffusion coefficient of the salt with the salinity.

Does the utilization of dental services associate with masticatory performance in a Japanese urban population?: the Suita study

PubMed Central

Kikui, Miki; Kida, Momoyo; Kosaka, Takayuki; Yamamoto, Masaaki; Yoshimuta, Yoko; Yasui, Sakae; Nokubi, Takashi; Maeda, Yoshinobu; Kokubo, Yoshihiro; Watanabe, Makoto; Miyamoto, Yoshihiro

2015-01-01

Abstract There are numerous reports on the relationship between regular utilization of dental care services and oral health, but most are based on questionnaires and subjective evaluation. Few have objectively evaluated masticatory performance and its relationship to utilization of dental care services. The purpose of this study was to identify the effect of regular utilization of dental services on masticatory performance. The subjects consisted of 1804 general residents of Suita City, Osaka Prefecture (760 men and 1044 women, mean age 66.5 ± 7.9 years). Regular utilization of dental services and oral hygiene habits (frequency of toothbrushing and use of interdental aids) was surveyed, and periodontal status, occlusal support, and masticatory performance were measured. Masticatory performance was evaluated by a chewing test using gummy jelly. The correlation between age, sex, regular dental utilization, oral hygiene habits, periodontal status or occlusal support, and masticatory performance was analyzed using Spearman's correlation test and t‐test. In addition, multiple linear regression analysis was carried out to investigate the relationship of regular dental utilization with masticatory performance after controlling for other factors. Masticatory performance was significantly correlated to age when using Spearman's correlation test, and to regular dental utilization, periodontal status, or occlusal support with t‐test. Multiple linear regression analysis showed that regular utilization of dental services was significantly related to masticatory performance even after adjusting for age, sex, oral hygiene habits, periodontal status, and occlusal support (standardized partial regression coefficient β = 0.055). These findings suggested that the regular utilization of dental care services is an important factor influencing masticatory performance in a Japanese urban population. PMID:29744141

Using FTIR spectroscopy to model alkaline pretreatment and enzymatic saccharification of six lignocellulosic biomasses.

PubMed

Sills, Deborah L; Gossett, James M

2012-04-01

Fourier transform infrared, attenuated total reflectance (FTIR-ATR) spectroscopy, combined with partial least squares (PLS) regression, accurately predicted solubilization of plant cell wall constituents and NaOH consumption through pretreatment, and overall sugar productions from combined pretreatment and enzymatic hydrolysis. PLS regression models were constructed by correlating FTIR spectra of six raw biomasses (two switchgrass cultivars, big bluestem grass, a low-impact, high-diversity mixture of prairie biomasses, mixed hardwood, and corn stover), plus alkali loading in pretreatment, to nine dependent variables: glucose, xylose, lignin, and total solids solubilized in pretreatment; NaOH consumed in pretreatment; and overall glucose and xylose conversions and yields from combined pretreatment and enzymatic hydrolysis. PLS models predicted the dependent variables with the following values of coefficient of determination for cross-validation (Q²): 0.86 for glucose, 0.90 for xylose, 0.79 for lignin, and 0.85 for total solids solubilized in pretreatment; 0.83 for alkali consumption; 0.93 for glucose conversion, 0.94 for xylose conversion, and 0.88 for glucose and xylose yields. The sugar yield models are noteworthy for their ability to predict overall saccharification through combined pretreatment and enzymatic hydrolysis per mass dry untreated solids without a priori knowledge of the composition of solids. All wavenumbers with significant variable-important-for-projection (VIP) scores have been attributed to chemical features of lignocellulose, demonstrating the models were based on real chemical information. These models suggest that PLS regression can be applied to FTIR-ATR spectra of raw biomasses to rapidly predict effects of pretreatment on solids and on subsequent enzymatic hydrolysis. Copyright © 2011 Wiley Periodicals, Inc.

Cement Leakage in Percutaneous Vertebral Augmentation for Osteoporotic Vertebral Compression Fractures: Analysis of Risk Factors.

PubMed

Xie, Weixing; Jin, Daxiang; Ma, Hui; Ding, Jinyong; Xu, Jixi; Zhang, Shuncong; Liang, De

2016-05-01

The risk factors for cement leakage were retrospectively reviewed in 192 patients who underwent percutaneous vertebral augmentation (PVA). To discuss the factors related to the cement leakage in PVA procedure for the treatment of osteoporotic vertebral compression fractures. PVA is widely applied for the treatment of osteoporotic vertebral fractures. Cement leakage is a major complication of this procedure. The risk factors for cement leakage were controversial. A retrospective review of 192 patients who underwent PVA was conducted. The following data were recorded: age, sex, bone density, number of fractured vertebrae before surgery, number of treated vertebrae, severity of the treated vertebrae, operative approach, volume of injected bone cement, preoperative vertebral compression ratio, preoperative local kyphosis angle, intraosseous clefts, preoperative vertebral cortical bone defect, and ratio and type of cement leakage. To study the correlation between each factor and cement leakage ratio, bivariate regression analysis was employed to perform univariate analysis, whereas multivariate linear regression analysis was employed to perform multivariate analysis. The study included 192 patients (282 treated vertebrae), and cement leakage occurred in 100 vertebrae (35.46%). The vertebrae with preoperative cortical bone defects generally exhibited higher cement leakage ratio, and the leakage is typically type C. Vertebrae with intact cortical bones before the procedure tend to experience type S leakage. Univariate analysis showed that patient age, bone density, number of fractured vertebrae before surgery, and vertebral cortical bone were associated with cement leakage ratio (P<0.05). Multivariate analysis showed that the main factors influencing bone cement leakage are bone density and vertebral cortical bone defect, with standardized partial regression coefficients of -0.085 and 0.144, respectively. High bone density and vertebral cortical bone defect are independent risk factors associated with bone cement leakage.

Does the utilization of dental services associate with masticatory performance in a Japanese urban population?: the Suita study.

PubMed

Kikui, Miki; Ono, Takahiro; Kida, Momoyo; Kosaka, Takayuki; Yamamoto, Masaaki; Yoshimuta, Yoko; Yasui, Sakae; Nokubi, Takashi; Maeda, Yoshinobu; Kokubo, Yoshihiro; Watanabe, Makoto; Miyamoto, Yoshihiro

2015-12-01

There are numerous reports on the relationship between regular utilization of dental care services and oral health, but most are based on questionnaires and subjective evaluation. Few have objectively evaluated masticatory performance and its relationship to utilization of dental care services. The purpose of this study was to identify the effect of regular utilization of dental services on masticatory performance. The subjects consisted of 1804 general residents of Suita City, Osaka Prefecture (760 men and 1044 women, mean age 66.5 ± 7.9 years). Regular utilization of dental services and oral hygiene habits (frequency of toothbrushing and use of interdental aids) was surveyed, and periodontal status, occlusal support, and masticatory performance were measured. Masticatory performance was evaluated by a chewing test using gummy jelly. The correlation between age, sex, regular dental utilization, oral hygiene habits, periodontal status or occlusal support, and masticatory performance was analyzed using Spearman's correlation test and t -test. In addition, multiple linear regression analysis was carried out to investigate the relationship of regular dental utilization with masticatory performance after controlling for other factors. Masticatory performance was significantly correlated to age when using Spearman's correlation test, and to regular dental utilization, periodontal status, or occlusal support with t -test. Multiple linear regression analysis showed that regular utilization of dental services was significantly related to masticatory performance even after adjusting for age, sex, oral hygiene habits, periodontal status, and occlusal support (standardized partial regression coefficient β  = 0.055). These findings suggested that the regular utilization of dental care services is an important factor influencing masticatory performance in a Japanese urban population.

An ensemble Kalman filter for statistical estimation of physics constrained nonlinear regression models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harlim, John, E-mail: jharlim@psu.edu; Mahdi, Adam, E-mail: amahdi@ncsu.edu; Majda, Andrew J., E-mail: jonjon@cims.nyu.edu

2014-01-15

A central issue in contemporary science is the development of nonlinear data driven statistical–dynamical models for time series of noisy partial observations from nature or a complex model. It has been established recently that ad-hoc quadratic multi-level regression models can have finite-time blow-up of statistical solutions and/or pathological behavior of their invariant measure. Recently, a new class of physics constrained nonlinear regression models were developed to ameliorate this pathological behavior. Here a new finite ensemble Kalman filtering algorithm is developed for estimating the state, the linear and nonlinear model coefficients, the model and the observation noise covariances from available partialmore » noisy observations of the state. Several stringent tests and applications of the method are developed here. In the most complex application, the perfect model has 57 degrees of freedom involving a zonal (east–west) jet, two topographic Rossby waves, and 54 nonlinearly interacting Rossby waves; the perfect model has significant non-Gaussian statistics in the zonal jet with blocked and unblocked regimes and a non-Gaussian skewed distribution due to interaction with the other 56 modes. We only observe the zonal jet contaminated by noise and apply the ensemble filter algorithm for estimation. Numerically, we find that a three dimensional nonlinear stochastic model with one level of memory mimics the statistical effect of the other 56 modes on the zonal jet in an accurate fashion, including the skew non-Gaussian distribution and autocorrelation decay. On the other hand, a similar stochastic model with zero memory levels fails to capture the crucial non-Gaussian behavior of the zonal jet from the perfect 57-mode model.« less

Quantification of trace metals in infant formula premixes using laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Cama-Moncunill, Raquel; Casado-Gavalda, Maria P.; Cama-Moncunill, Xavier; Markiewicz-Keszycka, Maria; Dixit, Yash; Cullen, Patrick J.; Sullivan, Carl

2017-09-01

Infant formula is a human milk substitute generally based upon fortified cow milk components. In order to mimic the composition of breast milk, trace elements such as copper, iron and zinc are usually added in a single operation using a premix. The correct addition of premixes must be verified to ensure that the target levels in infant formulae are achieved. In this study, a laser-induced breakdown spectroscopy (LIBS) system was assessed as a fast validation tool for trace element premixes. LIBS is a promising emission spectroscopic technique for elemental analysis, which offers real-time analyses, little to no sample preparation and ease of use. LIBS was employed for copper and iron determinations of premix samples ranging approximately from 0 to 120 mg/kg Cu/1640 mg/kg Fe. LIBS spectra are affected by several parameters, hindering subsequent quantitative analyses. This work aimed at testing three matrix-matched calibration approaches (simple-linear regression, multi-linear regression and partial least squares regression (PLS)) as means for precision and accuracy enhancement of LIBS quantitative analysis. All calibration models were first developed using a training set and then validated with an independent test set. PLS yielded the best results. For instance, the PLS model for copper provided a coefficient of determination (R2) of 0.995 and a root mean square error of prediction (RMSEP) of 14 mg/kg. Furthermore, LIBS was employed to penetrate through the samples by repetitively measuring the same spot. Consequently, LIBS spectra can be obtained as a function of sample layers. This information was used to explore whether measuring deeper into the sample could reduce possible surface-contaminant effects and provide better quantifications.

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: influence of matrix porosity, matrix permeability, and fracture coating minerals.

PubMed

Reimus, Paul W; Callahan, Timothy J; Ware, S Doug; Haga, Marc J; Counce, Dale A

2007-08-15

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ((3)HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient (D(m)/D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of (D(m)/D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log(D(m)/D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log(D(m)/D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: Influence of matrix porosity, matrix permeability, and fracture coating minerals

NASA Astrophysics Data System (ADS)

Reimus, Paul W.; Callahan, Timothy J.; Ware, S. Doug; Haga, Marc J.; Counce, Dale A.

2007-08-01

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ( 3HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient ( Dm/ D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of ( Dm/ D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log( Dm/ D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log( Dm/ D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Environmental and Hydroclimatic Sensitivities of Greenhouse Gas (GHG) Fluxes from Coastal Wetlands

NASA Astrophysics Data System (ADS)

Abdul-Aziz, O. I.; Ishtiaq, K. S.

2016-12-01

We computed the reference environmental and hydroclimatic sensitivities of the greenhouse gas (GHG) fluxes (CO2 and CH4) from coastal salt marshes. Non-linear partial least squares regression models of CO2 (net uptake) and CH4 (net emissions) fluxes were developed with a bootstrap resampling approach using the photosynthetically active radiation (PAR), air and soil temperatures, water height, soil moisture, porewater salinity, and pH as predictors. Analytical sensitivity coefficients of different predictors were then analytically derived from the estimated models. The numerical sensitivities of the dominant drivers were determined by perturbing the variables individually and simultaneously to compute their individual and combined (respectively) effects on the GHG fluxes. Four tidal wetlands of Waquoit Bay, MA — incorporating a gradient in land-use, salinity and hydrology — were considered as the case study sites. The wetlands were dominated by native Spartina Alterniflora, and characterized by high salinity and frequent flooding. Results indicated a high sensitivity of CO2 fluxes to temperature and PAR, a moderate sensitivity to soil salinity and water height, and a weak sensitivity to pH and soil moisture. In contrast, the CH4 fluxes were more sensitive to temperature and salinity, compared to that of PAR, pH, and hydrologic variables. The estimated sensitivities and mechanistic insights can aid the management of coastal carbon under a changing climate and environment. The sensitivity coefficients also indicated the most dominant drivers of GHG fluxes for the development of a parsimonious predictive model.

Methods for Probabilistic Radiological Dose Assessment at a High-Level Radioactive Waste Repository.

NASA Astrophysics Data System (ADS)

Maheras, Steven James

Methods were developed to assess and evaluate the uncertainty in offsite and onsite radiological dose at a high-level radioactive waste repository to show reasonable assurance that compliance with applicable regulatory requirements will be achieved. Uncertainty in offsite dose was assessed by employing a stochastic precode in conjunction with Monte Carlo simulation using an offsite radiological dose assessment code. Uncertainty in onsite dose was assessed by employing a discrete-event simulation model of repository operations in conjunction with an occupational radiological dose assessment model. Complementary cumulative distribution functions of offsite and onsite dose were used to illustrate reasonable assurance. Offsite dose analyses were performed for iodine -129, cesium-137, strontium-90, and plutonium-239. Complementary cumulative distribution functions of offsite dose were constructed; offsite dose was lognormally distributed with a two order of magnitude range. However, plutonium-239 results were not lognormally distributed and exhibited less than one order of magnitude range. Onsite dose analyses were performed for the preliminary inspection, receiving and handling, and the underground areas of the repository. Complementary cumulative distribution functions of onsite dose were constructed and exhibited less than one order of magnitude range. A preliminary sensitivity analysis of the receiving and handling areas was conducted using a regression metamodel. Sensitivity coefficients and partial correlation coefficients were used as measures of sensitivity. Model output was most sensitive to parameters related to cask handling operations. Model output showed little sensitivity to parameters related to cask inspections.

Baseline Correction of Diffuse Reflection Near-Infrared Spectra Using Searching Region Standard Normal Variate (SRSNV).

PubMed

Genkawa, Takuma; Shinzawa, Hideyuki; Kato, Hideaki; Ishikawa, Daitaro; Murayama, Kodai; Komiyama, Makoto; Ozaki, Yukihiro

2015-12-01

An alternative baseline correction method for diffuse reflection near-infrared (NIR) spectra, searching region standard normal variate (SRSNV), was proposed. Standard normal variate (SNV) is an effective pretreatment method for baseline correction of diffuse reflection NIR spectra of powder and granular samples; however, its baseline correction performance depends on the NIR region used for SNV calculation. To search for an optimal NIR region for baseline correction using SNV, SRSNV employs moving window partial least squares regression (MWPLSR), and an optimal NIR region is identified based on the root mean square error (RMSE) of cross-validation of the partial least squares regression (PLSR) models with the first latent variable (LV). The performance of SRSNV was evaluated using diffuse reflection NIR spectra of mixture samples consisting of wheat flour and granular glucose (0-100% glucose at 5% intervals). From the obtained NIR spectra of the mixture in the 10 000-4000 cm(-1) region at 4 cm intervals (1501 spectral channels), a series of spectral windows consisting of 80 spectral channels was constructed, and then SNV spectra were calculated for each spectral window. Using these SNV spectra, a series of PLSR models with the first LV for glucose concentration was built. A plot of RMSE versus the spectral window position obtained using the PLSR models revealed that the 8680–8364 cm(-1) region was optimal for baseline correction using SNV. In the SNV spectra calculated using the 8680–8364 cm(-1) region (SRSNV spectra), a remarkable relative intensity change between a band due to wheat flour at 8500 cm(-1) and that due to glucose at 8364 cm(-1) was observed owing to successful baseline correction using SNV. A PLSR model with the first LV based on the SRSNV spectra yielded a determination coefficient (R2) of 0.999 and an RMSE of 0.70%, while a PLSR model with three LVs based on SNV spectra calculated in the full spectral region gave an R2 of 0.995 and an RMSE of 2.29%. Additional evaluation of SRSNV was carried out using diffuse reflection NIR spectra of marzipan and corn samples, and PLSR models based on SRSNV spectra showed good prediction results. These evaluation results indicate that SRSNV is effective in baseline correction of diffuse reflection NIR spectra and provides regression models with good prediction accuracy.

Differential blood flow responses to CO2 in human internal and external carotid and vertebral arteries

PubMed Central

Sato, Kohei; Sadamoto, Tomoko; Hirasawa, Ai; Oue, Anna; Subudhi, Andrew W; Miyazawa, Taiki; Ogoh, Shigehiko

2012-01-01

Arterial CO2 serves as a mediator of cerebral blood flow (CBF), and its relative influence on the regulation of CBF is defined as cerebral CO2 reactivity. Our previous studies have demonstrated that there are differences in CBF responses to physiological stimuli (i.e. dynamic exercise and orthostatic stress) between arteries in humans. These findings suggest that dynamic CBF regulation and cerebral CO2 reactivity may be different in the anterior and posterior cerebral circulation. The aim of this study was to identify cerebral CO2 reactivity by measuring blood flow and examine potential differences in CO2 reactivity between the internal carotid artery (ICA), external carotid artery (ECA) and vertebral artery (VA). In 10 healthy young subjects, we evaluated the ICA, ECA, and VA blood flow responses by duplex ultrasonography (Vivid-e, GE Healthcare), and mean blood flow velocity in middle cerebral artery (MCA) and basilar artery (BA) by transcranial Doppler (Vivid-7, GE healthcare) during two levels of hypercapnia (3% and 6% CO2), normocapnia and hypocapnia to estimate CO2 reactivity. To characterize cerebrovascular reactivity to CO2, we used both exponential and linear regression analysis between CBF and estimated partial pressure of arterial CO2, calculated by end-tidal partial pressure of CO2. CO2 reactivity in VA was significantly lower than in ICA (coefficient of exponential regression 0.021 ± 0.008 vs. 0.030 ± 0.008; slope of linear regression 2.11 ± 0.84 vs. 3.18 ± 1.09% mmHg−1: VA vs. ICA, P < 0.01). Lower CO2 reactivity in the posterior cerebral circulation was persistent in distal intracranial arteries (exponent 0.023 ± 0.006 vs. 0.037 ± 0.009; linear 2.29 ± 0.56 vs. 3.31 ± 0.87% mmHg−1: BA vs. MCA). In contrast, CO2 reactivity in ECA was markedly lower than in the intra-cerebral circulation (exponent 0.006 ± 0.007; linear 0.63 ± 0.64% mmHg−1, P < 0.01). These findings indicate that vertebro-basilar circulation has lower CO2 reactivity than internal carotid circulation, and that CO2 reactivity of the external carotid circulation is markedly diminished compared to that of the cerebral circulation, which may explain different CBF responses to physiological stress. PMID:22526884

Multiple imputation for cure rate quantile regression with censored data.

PubMed

Wu, Yuanshan; Yin, Guosheng

2017-03-01

The main challenge in the context of cure rate analysis is that one never knows whether censored subjects are cured or uncured, or whether they are susceptible or insusceptible to the event of interest. Considering the susceptible indicator as missing data, we propose a multiple imputation approach to cure rate quantile regression for censored data with a survival fraction. We develop an iterative algorithm to estimate the conditionally uncured probability for each subject. By utilizing this estimated probability and Bernoulli sample imputation, we can classify each subject as cured or uncured, and then employ the locally weighted method to estimate the quantile regression coefficients with only the uncured subjects. Repeating the imputation procedure multiple times and taking an average over the resultant estimators, we obtain consistent estimators for the quantile regression coefficients. Our approach relaxes the usual global linearity assumption, so that we can apply quantile regression to any particular quantile of interest. We establish asymptotic properties for the proposed estimators, including both consistency and asymptotic normality. We conduct simulation studies to assess the finite-sample performance of the proposed multiple imputation method and apply it to a lung cancer study as an illustration. © 2016, The International Biometric Society.

Analyses of polycyclic aromatic hydrocarbon (PAH) and chiral-PAH analogues-methyl-β-cyclodextrin guest-host inclusion complexes by fluorescence spectrophotometry and multivariate regression analysis.

PubMed

Greene, LaVana; Elzey, Brianda; Franklin, Mariah; Fakayode, Sayo O

2017-03-05

The negative health impact of polycyclic aromatic hydrocarbons (PAHs) and differences in pharmacological activity of enantiomers of chiral molecules in humans highlights the need for analysis of PAHs and their chiral analogue molecules in humans. Herein, the first use of cyclodextrin guest-host inclusion complexation, fluorescence spectrophotometry, and chemometric approach to PAH (anthracene) and chiral-PAH analogue derivatives (1-(9-anthryl)-2,2,2-triflouroethanol (TFE)) analyses are reported. The binding constants (K b ), stoichiometry (n), and thermodynamic properties (Gibbs free energy (ΔG), enthalpy (ΔH), and entropy (ΔS)) of anthracene and enantiomers of TFE-methyl-β-cyclodextrin (Me-β-CD) guest-host complexes were also determined. Chemometric partial-least-square (PLS) regression analysis of emission spectra data of Me-β-CD-guest-host inclusion complexes was used for the determination of anthracene and TFE enantiomer concentrations in Me-β-CD-guest-host inclusion complex samples. The values of calculated K b and negative ΔG suggest the thermodynamic favorability of anthracene-Me-β-CD and enantiomeric of TFE-Me-β-CD inclusion complexation reactions. However, anthracene-Me-β-CD and enantiomer TFE-Me-β-CD inclusion complexations showed notable differences in the binding affinity behaviors and thermodynamic properties. The PLS regression analysis resulted in square-correlation-coefficients of 0.997530 or better and a low LOD of 3.81×10 -7 M for anthracene and 3.48×10 -8 M for TFE enantiomers at physiological conditions. Most importantly, PLS regression accurately determined the anthracene and TFE enantiomer concentrations with an average low error of 2.31% for anthracene, 4.44% for R-TFE and 3.60% for S-TFE. The results of the study are highly significant because of its high sensitivity and accuracy for analysis of PAH and chiral PAH analogue derivatives without the need of an expensive chiral column, enantiomeric resolution, or use of a polarized light. Published by Elsevier B.V.

Estimation of subsurface thermal structure using sea surface height and sea surface temperature

NASA Technical Reports Server (NTRS)

Kang, Yong Q. (Inventor); Jo, Young-Heon (Inventor); Yan, Xiao-Hai (Inventor)

2012-01-01

A method of determining a subsurface temperature in a body of water is disclosed. The method includes obtaining surface temperature anomaly data and surface height anomaly data of the body of water for a region of interest, and also obtaining subsurface temperature anomaly data for the region of interest at a plurality of depths. The method further includes regressing the obtained surface temperature anomaly data and surface height anomaly data for the region of interest with the obtained subsurface temperature anomaly data for the plurality of depths to generate regression coefficients, estimating a subsurface temperature at one or more other depths for the region of interest based on the generated regression coefficients and outputting the estimated subsurface temperature at the one or more other depths. Using the estimated subsurface temperature, signal propagation times and trajectories of marine life in the body of water are determined.

Application of LANDSAT to the surveillance and control of lake eutrophication in the Great Lakes basin. [Saginaw Bay, Michigan and Wisconsin

NASA Technical Reports Server (NTRS)

Rogers, R. H. (Principal Investigator)

1976-01-01

The author has identified the following significant results. Computer techniques were developed for mapping water quality parameters from LANDSAT data, using surface samples collected in an ongoing survey of water quality in Saginaw Bay. Chemical and biological parameters were measured on 31 July 1975 at 16 bay stations in concert with the LANDSAT overflight. Application of stepwise linear regression bands to nine of these parameters and corresponding LANDSAT measurements for bands 4 and 5 only resulted in regression correlation coefficients that varied from 0.94 for temperature to 0.73 for Secchi depth. Regression equations expressed with the pair of bands 4 and 5, rather than the ratio band 4/band 5, provided higher correlation coefficients for all the water quality parameters studied (temperature, Secchi depth, chloride, conductivity, total kjeldahl nitrogen, total phosphorus, chlorophyll a, total solids, and suspended solids).

Prediction of anthropometric foot characteristics in children.

PubMed

Morrison, Stewart C; Durward, Brian R; Watt, Gordon F; Donaldson, Malcolm D C

2009-01-01

The establishment of growth reference values is needed in pediatric practice where pathologic conditions can have a detrimental effect on the growth and development of the pediatric foot. This study aims to use multiple regression to evaluate the effects of multiple predictor variables (height, age, body mass, and gender) on anthropometric characteristics of the peripubescent foot. Two hundred children aged 9 to 12 years were recruited, and three anthropometric measurements of the pediatric foot were recorded (foot length, forefoot width, and navicular height). Multiple regression analysis was conducted, and coefficients for gender, height, and body mass all had significant relationships for the prediction of forefoot width and foot length (P < or = .05, r > or = 0.7). The coefficients for gender and body mass were not significant for the prediction of navicular height (P > or = .05), whereas height was (P < or = .05). Normative growth reference values and prognostic regression equations are presented for the peripubescent foot.

Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs.

PubMed

Mecklenfeld, Andreas; Raabe, Gabriele

2017-12-12

The calculation of solvation free energies ΔG solv by molecular simulations is of great interest as they are linked to other physical properties such as relative solubility, partition coefficient, and activity coefficient. However, shortcomings in molecular models can lead to ΔG solv deviations from experimental data. Various studies have demonstrated the impact of partial charges on free energy results. Consequently, calculation methods for partial charges aimed at more accurate ΔG solv predictions are the subject of various studies in the literature. Here we compare two methods to derive partial charges for the general AMBER force field (GAFF), i.e. the default RESP as well as the physically motivated IPolQ-Mod method that implicitly accounts for polarization costs. We study 29 solutes which include characteristic functional groups of drug-like molecules, and 12 diverse solvents were examined. In total, we consider 107 solute/solvent pairs including two water models TIP3P and TIP4P/2005. Comparison with experimental results yields better agreement for TIP3P, regardless of the partial charge scheme. The overall performance of GAFF/RESP and GAFF/IPolQ-Mod is similar, though specific shortcomings in the description of ΔG solv for both RESP and IPolQ-Mod can be identified. However, the high correlation between free energies obtained with GAFF/RESP and GAFF/IPolQ-Mod demonstrates the compatibility between the modified charges and remaining GAFF parameters.

Analyzing the dependence of oxygen incorporation current density on overpotential and oxygen partial pressure in mixed conducting oxide electrodes.

PubMed

Guan, Zixuan; Chen, Di; Chueh, William C

2017-08-30

The oxygen incorporation reaction, which involves the transformation of an oxygen gas molecule to two lattice oxygen ions in a mixed ionic and electronic conducting solid, is a ubiquitous and fundamental reaction in solid-state electrochemistry. To understand the reaction pathway and to identify the rate-determining step, near-equilibrium measurements have been employed to quantify the exchange coefficients as a function of oxygen partial pressure and temperature. However, because the exchange coefficient contains contributions from both forward and reverse reaction rate constants and depends on both oxygen partial pressure and oxygen fugacity in the solid, unique and definitive mechanistic assessment has been challenging. In this work, we derive a current density equation as a function of both oxygen partial pressure and overpotential, and consider both near and far from equilibrium limits. Rather than considering specific reaction pathways, we generalize the multi-step oxygen incorporation reaction into the rate-determining step, preceding and following quasi-equilibrium steps, and consider the number of oxygen ions and electrons involved in each. By evaluating the dependence of current density on oxygen partial pressure and overpotential separately, one obtains the reaction orders for oxygen gas molecules and for solid-state species in the electrode. We simulated the oxygen incorporation current density-overpotential curves for praseodymium-doped ceria for various candidate rate-determining steps. This work highlights a promising method for studying the exchange kinetics far away from equilibrium.

The comparison of robust partial least squares regression with robust principal component regression on a real

NASA Astrophysics Data System (ADS)

Polat, Esra; Gunay, Suleyman

2013-10-01

One of the problems encountered in Multiple Linear Regression (MLR) is multicollinearity, which causes the overestimation of the regression parameters and increase of the variance of these parameters. Hence, in case of multicollinearity presents, biased estimation procedures such as classical Principal Component Regression (CPCR) and Partial Least Squares Regression (PLSR) are then performed. SIMPLS algorithm is the leading PLSR algorithm because of its speed, efficiency and results are easier to interpret. However, both of the CPCR and SIMPLS yield very unreliable results when the data set contains outlying observations. Therefore, Hubert and Vanden Branden (2003) have been presented a robust PCR (RPCR) method and a robust PLSR (RPLSR) method called RSIMPLS. In RPCR, firstly, a robust Principal Component Analysis (PCA) method for high-dimensional data on the independent variables is applied, then, the dependent variables are regressed on the scores using a robust regression method. RSIMPLS has been constructed from a robust covariance matrix for high-dimensional data and robust linear regression. The purpose of this study is to show the usage of RPCR and RSIMPLS methods on an econometric data set, hence, making a comparison of two methods on an inflation model of Turkey. The considered methods have been compared in terms of predictive ability and goodness of fit by using a robust Root Mean Squared Error of Cross-validation (R-RMSECV), a robust R2 value and Robust Component Selection (RCS) statistic.

Jet-boundary and Plan-form Corrections for Partial-Span Models with Reflection-Plane, End-Plate, or No End-Plate in a Closed Circular Wind Tunnel

NASA Technical Reports Server (NTRS)

Sivells, James C; Deters, Owen J

1946-01-01

A method is presented for determining the jet-boundary and plan-form corrections necessary for application to test data for a partial-span model with a reflection plane, an end plate, or no end plate in a closed circular wind tunnel. Examples are worked out for a partial-span model with each of the three end conditions in the Langley 19-foot pressure tunnel and the corrections are applied to measured values of lift, drag, pitching-moment, rolling-moment, and yawing-moment coefficients.

The Component Slope Linear Model for Calculating Intensive Partial Molar Properties: Application to Waste Glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reynolds, Jacob G.

2013-01-11

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a changemore » in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOH-NaAl(OH{sub 4}H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results detennined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components.« less

Commander and User Perceptions of the Army’s Intransit Visibility (ITV) Architecture

DTIC Science & Technology

2007-03-01

covariance matrix; (c) Bartlett’s test of Sphericity; and (d) Kaiser-Meyer- Olkin ( KMO ) measure of sampling adequacy. The inter-item correlation matrix...001), and all diagonal terms had a value of 1 while off-diagonal terms were 0. The KMO measure of sampling adequacy reflects the homogeneity...amongst the variables and serves as an index for comparing the magnitudes of correlation coefficients to partial correlation coefficients. KMO values at

Evaluation of the Bitterness of Traditional Chinese Medicines using an E-Tongue Coupled with a Robust Partial Least Squares Regression Method.

PubMed

Lin, Zhaozhou; Zhang, Qiao; Liu, Ruixin; Gao, Xiaojie; Zhang, Lu; Kang, Bingya; Shi, Junhan; Wu, Zidan; Gui, Xinjing; Li, Xuelin

2016-01-25

To accurately, safely, and efficiently evaluate the bitterness of Traditional Chinese Medicines (TCMs), a robust predictor was developed using robust partial least squares (RPLS) regression method based on data obtained from an electronic tongue (e-tongue) system. The data quality was verified by the Grubb's test. Moreover, potential outliers were detected based on both the standardized residual and score distance calculated for each sample. The performance of RPLS on the dataset before and after outlier detection was compared to other state-of-the-art methods including multivariate linear regression, least squares support vector machine, and the plain partial least squares regression. Both R² and root-mean-squares error (RMSE) of cross-validation (CV) were recorded for each model. With four latent variables, a robust RMSECV value of 0.3916 with bitterness values ranging from 0.63 to 4.78 were obtained for the RPLS model that was constructed based on the dataset including outliers. Meanwhile, the RMSECV, which was calculated using the models constructed by other methods, was larger than that of the RPLS model. After six outliers were excluded, the performance of all benchmark methods markedly improved, but the difference between the RPLS model constructed before and after outlier exclusion was negligible. In conclusion, the bitterness of TCM decoctions can be accurately evaluated with the RPLS model constructed using e-tongue data.

Effect of Contact Damage on the Strength of Ceramic Materials.

DTIC Science & Technology

1982-10-01

variables that are important to erosion, and a multivariate , linear regression analysis is used to fit the data to the dimensional analysis. The...of Equations 7 and 8 by a multivariable regression analysis (room tem- perature data) Exponent Regression Standard error Computed coefficient of...1980) 593. WEAVER, Proc. Brit. Ceram. Soc. 22 (1973) 125. 39. P. W. BRIDGMAN, "Dimensional Analaysis ", (Yale 18. R. W. RICE, S. W. FREIMAN and P. F

Mean centering, multicollinearity, and moderators in multiple regression: The reconciliation redux.

PubMed

Iacobucci, Dawn; Schneider, Matthew J; Popovich, Deidre L; Bakamitsos, Georgios A

2017-02-01

In this article, we attempt to clarify our statements regarding the effects of mean centering. In a multiple regression with predictors A, B, and A × B (where A × B serves as an interaction term), mean centering A and B prior to computing the product term can clarify the regression coefficients (which is good) and the overall model fit R 2 will remain undisturbed (which is also good).

On the role of structure-dynamic relationship in determining the excess entropy of mixing and chemical ordering in binary square-well liquid alloys

NASA Astrophysics Data System (ADS)

Lalneihpuii, R.; Shrivastava, Ruchi; Mishra, Raj Kumar

2018-05-01

Using statistical mechanical model with square-well (SW) interatomic potential within the frame work of mean spherical approximation, we determine the composition dependent microscopic correlation functions, interdiffusion coefficients, surface tension and chemical ordering in Ag-Cu melts. Further Dzugutov universal scaling law of normalized diffusion is verified with SW potential in binary mixtures. We find that the excess entropy scaling law is valid for SW binary melts. The partial and total structure factors in the attractive and repulsive regions of the interacting potential are evaluated and then Fourier transformed to get partial and total radial distribution functions. A good agreement between theoretical and experimental values for total structure factor and the reduced radial distribution function are observed, which consolidates our model calculations. The well-known Bhatia-Thornton correlation functions are also computed for Ag-Cu melts. The concentration-concentration correlations in the long wavelength limit in liquid Ag-Cu alloys have been analytically derived through the long wavelength limit of partial correlation functions and apply it to demonstrate the chemical ordering and interdiffusion coefficients in binary liquid alloys. We also investigate the concentration dependent viscosity coefficients and surface tension using the computed diffusion data in these alloys. Our computed results for structure, transport and surface properties of liquid Ag-Cu alloys obtained with square-well interatomic interaction are fully consistent with their corresponding experimental values.

Dose-Dependent Effects of Statins for Patients with Aneurysmal Subarachnoid Hemorrhage: Meta-Regression Analysis.

PubMed

To, Minh-Son; Prakash, Shivesh; Poonnoose, Santosh I; Bihari, Shailesh

2018-05-01

The study uses meta-regression analysis to quantify the dose-dependent effects of statin pharmacotherapy on vasospasm, delayed ischemic neurologic deficits (DIND), and mortality in aneurysmal subarachnoid hemorrhage. Prospective, retrospective observational studies, and randomized controlled trials (RCTs) were retrieved by a systematic database search. Summary estimates were expressed as absolute risk (AR) for a given statin dose or control (placebo). Meta-regression using inverse variance weighting and robust variance estimation was performed to assess the effect of statin dose on transformed AR in a random effects model. Dose-dependence of predicted AR with 95% confidence interval (CI) was recovered by using Miller's Freeman-Tukey inverse. The database search and study selection criteria yielded 18 studies (2594 patients) for analysis. These included 12 RCTs, 4 retrospective observational studies, and 2 prospective observational studies. Twelve studies investigated simvastatin, whereas the remaining studies investigated atorvastatin, pravastatin, or pitavastatin, with simvastatin-equivalent doses ranging from 20 to 80 mg. Meta-regression revealed dose-dependent reductions in Freeman-Tukey-transformed AR of vasospasm (slope coefficient -0.00404, 95% CI -0.00720 to -0.00087; P = 0.0321), DIND (slope coefficient -0.00316, 95% CI -0.00586 to -0.00047; P = 0.0392), and mortality (slope coefficient -0.00345, 95% CI -0.00623 to -0.00067; P = 0.0352). The present meta-regression provides weak evidence for dose-dependent reductions in vasospasm, DIND and mortality associated with acute statin use after aneurysmal subarachnoid hemorrhage. However, the analysis was limited by substantial heterogeneity among individual studies. Greater dosing strategies are a potential consideration for future RCTs. Copyright © 2018 Elsevier Inc. All rights reserved.

Visible and Near-Infrared Spectroscopy Analysis of a Polycyclic Aromatic Hydrocarbon in Soils

PubMed Central

Okparanma, Reuben N.; Mouazen, Abdul M.

2013-01-01

Visible and near-infrared (VisNIR) spectroscopy is becoming recognised by soil scientists as a rapid and cost-effective measurement method for hydrocarbons in petroleum-contaminated soils. This study investigated the potential application of VisNIR spectroscopy (350–2500 nm) for the prediction of phenanthrene, a polycyclic aromatic hydrocarbon (PAH), in soils. A total of 150 diesel-contaminated soil samples were used in the investigation. Partial least-squares (PLS) regression analysis with full cross-validation was used to develop models to predict the PAH compound. Results showed that the PAH compound was predicted well with residual prediction deviation of 2.0–2.32, root-mean-square error of prediction of 0.21–0.25 mg kg−1, and coefficient of determination (r 2) of 0.75–0.83. The mechanism of prediction was attributed to covariation of the PAH with clay and soil organic carbon. Overall, the results demonstrated that the methodology may be used for predicting phenanthrene in soils utilizing the interrelationship between clay and soil organic carbon. PMID:24453798

Evaluation of chemical parameters in soft mold-ripened cheese during ripening by mid-infrared spectroscopy.

PubMed

Martín-del-Campo, S T; Picque, D; Cosío-Ramírez, R; Corrieu, G

2007-06-01

The suitability of mid-infrared spectroscopy (MIR) to follow the evolution throughout ripening of specific physicochemical parameters in Camembert-type cheeses was evaluated. The infrared spectra were obtained directly from raw cheese samples deposited on an attenuated total reflectance crystal. Significant correlations were observed between physicochemical data, pH, acid-soluble nitrogen, nonprotein nitrogen, ammonia (NH4+), lactose, and lactic acid. Dry matter showed significant correlation only with lactose and nonprotein nitrogen. Principal components analysis factorial maps of physicochemical data showed a ripening evolution in 2 steps, from d 1 to d 7 and from d 8 to d 27, similar to that observed previously from infrared spectral data. Partial least squares regressions made it possible to obtain good prediction models for dry matter, acid-soluble nitrogen, nonprotein nitrogen, lactose, lactic acid, and NH4+ values from spectral data of raw cheese. The values of 3 statistical parameters (coefficient of determination, root mean square error of cross validation, and ratio prediction deviation) are satisfactory. Less precise models were obtained for pH.

Hyperspectral Reflectance Imaging Technique for Visualization of Moisture Distribution in Cooked Chicken Breast

PubMed Central

Kandpal, Lalit Mohan; Lee, Hoonsoo; Kim, Moon S.; Mo, Changyeun; Cho, Byoung-Kwan

2013-01-01

Spectroscopy has proven to be an efficient tool for measuring the properties of meat. In this article, hyperspectral imaging (HSI) techniques are used to determine the moisture content in cooked chicken breast over the VIS/NIR (400–1,000 nm) spectral range. Moisture measurements were performed using an oven drying method. A partial least squares regression (PLSR) model was developed to extract a relationship between the HSI spectra and the moisture content. In the full wavelength range, the PLSR model possessed a maximum R2p of 0.90 and an SEP of 0.74%. For the NIR range, the PLSR model yielded an R2p of 0.94 and an SEP of 0.71%. The majority of the absorption peaks occurred around 760 and 970 nm, representing the water content in the samples. Finally, PLSR images were constructed to visualize the dehydration and water distribution within different sample regions. The high correlation coefficient and low prediction error from the PLSR analysis validates that HSI is an effective tool for visualizing the chemical properties of meat. PMID:24084119

On-line milk spectrometry: analysis of bovine milk composition

NASA Astrophysics Data System (ADS)

Spitzer, Kyle; Kuennemeyer, Rainer; Woolford, Murray; Claycomb, Rod

2005-04-01

We present partial least squares (PLS) regressions to predict the composition of raw, unhomogenised milk using visible to near infrared spectroscopy. A total of 370 milk samples from individual quarters were collected and analysed on-line by two low cost spectrometers in the wavelength ranges 380-1100 nm and 900-1700 nm. Samples were collected from 22 Friesian, 17 Jersey, 2 Ayrshire and 3 Friesian-Jersey crossbred cows over a period of 7 consecutive days. Transmission spectra were recorded in an inline flowcell through a 0.5 mm thick milk sample. PLS models, where wavelength selection was performed using iterative PLS, were developed for fat, protein, lactose, and somatic cell content. The root mean square error of prediction (and correlation coefficient) for the nir and visible spectrometers respectively were 0.70%(0.93) and 0.91%(0.91) for fat, 0.65%(0.5) and 0.47%(0.79) for protein, 0.36%(0.49) and 0.45%(0.43) for lactose, and 0.50(0.54) and 0.48(0.51) for log10 somatic cells.

Predicting glycogen concentration in the foot muscle of abalone using near infrared reflectance spectroscopy (NIRS).

PubMed

Fluckiger, Miriam; Brown, Malcolm R; Ward, Louise R; Moltschaniwskyj, Natalie A

2011-06-15

Near infrared reflectance spectroscopy (NIRS) was used to predict glycogen concentrations in the foot muscle of cultured abalone. NIR spectra of live, shucked and freeze-dried abalones were modelled against chemically measured glycogen data (range: 0.77-40.9% of dry weight (DW)) using partial least squares (PLS) regression. The calibration models were then used to predict glycogen concentrations of test abalone samples and model robustness was assessed from coefficient of determination of the validation (R2(val)) and standard error of prediction (SEP) values. The model for freeze-dried abalone gave the best prediction (R2(val) 0.97, SEP=1.71), making it suitable for quantifying glycogen. Models for live and shucked abalones had R2(val) of 0.86 and 0.90, and SEP of 3.46 and 3.07 respectively, making them suitable for producing estimations of glycogen concentration. As glycogen is a taste-active component associated with palatability in abalone, this study demonstrated the potential of NIRS as a rapid method to monitor the factors associated with abalone quality. Copyright © 2011 Elsevier Ltd. All rights reserved.

Statistical, time series, and fractal analysis of full stretch of river Yamuna (India) for water quality management.

PubMed

Parmar, Kulwinder Singh; Bhardwaj, Rashmi

2015-01-01

River water is a major resource of drinking water on earth. Management of river water is highly needed for surviving. Yamuna is the main river of India, and monthly variation of water quality of river Yamuna, using statistical methods have been compared at different sites for each water parameters. Regression, correlation coefficient, autoregressive integrated moving average (ARIMA), box-Jenkins, residual autocorrelation function (ACF), residual partial autocorrelation function (PACF), lag, fractal, Hurst exponent, and predictability index have been estimated to analyze trend and prediction of water quality. Predictive model is useful at 95% confidence limits and all water parameters reveal platykurtic curve. Brownian motion (true random walk) behavior exists at different sites for BOD, AMM, and total Kjeldahl nitrogen (TKN). Quality of Yamuna River water at Hathnikund is good, declines at Nizamuddin, Mazawali, Agra D/S, and regains good quality again at Juhikha. For all sites, almost all parameters except potential of hydrogen (pH), water temperature (WT) crosses the prescribed limits of World Health Organization (WHO)/United States Environmental Protection Agency (EPA).

Near infrared spectroscopy for prediction of antioxidant compounds in the honey.

PubMed

Escuredo, Olga; Seijo, M Carmen; Salvador, Javier; González-Martín, M Inmaculada

2013-12-15

The selection of antioxidant variables in honey is first time considered applying the near infrared (NIR) spectroscopic technique. A total of 60 honey samples were used to develop the calibration models using the modified partial least squares (MPLS) regression method and 15 samples were used for external validation. Calibration models on honey matrix for the estimation of phenols, flavonoids, vitamin C, antioxidant capacity (DPPH), oxidation index and copper using near infrared (NIR) spectroscopy has been satisfactorily obtained. These models were optimised by cross-validation, and the best model was evaluated according to multiple correlation coefficient (RSQ), standard error of cross-validation (SECV), ratio performance deviation (RPD) and root mean standard error (RMSE) in the prediction set. The result of these statistics suggested that the equations developed could be used for rapid determination of antioxidant compounds in honey. This work shows that near infrared spectroscopy can be considered as rapid tool for the nondestructive measurement of antioxidant constitutes as phenols, flavonoids, vitamin C and copper and also the antioxidant capacity in the honey. Copyright © 2013 Elsevier Ltd. All rights reserved.

Qualitative and quantitative detection of honey adulterated with high-fructose corn syrup and maltose syrup by using near-infrared spectroscopy.

PubMed

Li, Shuifang; Zhang, Xin; Shan, Yang; Su, Donglin; Ma, Qiang; Wen, Ruizhi; Li, Jiaojuan

2017-03-01

Near-infrared spectroscopy (NIR) was used for qualitative and quantitative detection of honey adulterated with high-fructose corn syrup (HFCS) or maltose syrup (MS). Competitive adaptive reweighted sampling (CARS) was employed to select key variables. Partial least squares linear discriminant analysis (PLS-LDA) was adopted to classify the adulterated honey samples. The CARS-PLS-LDA models showed an accuracy of 86.3% (honey vs. adulterated honey with HFCS) and 96.1% (honey vs. adulterated honey with MS), respectively. PLS regression (PLSR) was used to predict the extent of adulteration in the honeys. The results showed that NIR combined with PLSR could not be used to quantify adulteration with HFCS, but could be used to quantify adulteration with MS: coefficient (R p 2 ) and root mean square of prediction (RMSEP) were 0.901 and 4.041 for MS-adulterated samples from different floral origins, and 0.981 and 1.786 for MS-adulterated samples from the same floral origin (Brassica spp.), respectively. Copyright © 2016. Published by Elsevier Ltd.

Rapid prediction of phenolic compounds and antioxidant activity of Sudanese honey using Raman and Fourier transform infrared (FT-IR) spectroscopy.

PubMed

Tahir, Haroon Elrasheid; Xiaobo, Zou; Zhihua, Li; Jiyong, Shi; Zhai, Xiaodong; Wang, Sheng; Mariod, Abdalbasit Adam

2017-07-01

Fourier transform infrared with attenuated total reflectance (FTIR-ATR) and Raman spectroscopy combined with partial least square regression (PLSR) were applied for the prediction of phenolic compounds and antioxidant activity in honey. Standards of catechin, syringic, vanillic, and chlorogenic acids were used for the identification and quantification of the individual phenolic compounds in six honey varieties using HPLC-DAD. Total antioxidant activity (TAC) and ferrous chelating capacity were measured spectrophotometrically. For the establishment of PLSR model, Raman spectra with Savitzky-Golay smoothing in wavenumber region 1500-400cm -1 was used while for FTIR-ATR the wavenumber regions of 1800-700 and 3000-2800cm -1 with multiplicative scattering correction (MSC) and Savitzky-Golay smoothing were used. The determination coefficients (R 2 ) were ranged from 0.9272 to 0.9992 for Raman while from 0.9461 to 0.9988 for FTIT-ART. The FTIR-ATR and Raman demonstrated to be simple, rapid and nondestructive methods to quantify phenolic compounds and antioxidant activities in honey. Copyright © 2017 Elsevier Ltd. All rights reserved.

Stock price forecasting based on time series analysis

NASA Astrophysics Data System (ADS)

Chi, Wan Le

2018-05-01

Using the historical stock price data to set up a sequence model to explain the intrinsic relationship of data, the future stock price can forecasted. The used models are auto-regressive model, moving-average model and autoregressive-movingaverage model. The original data sequence of unit root test was used to judge whether the original data sequence was stationary. The non-stationary original sequence as a first order difference needed further processing. Then the stability of the sequence difference was re-inspected. If it is still non-stationary, the second order differential processing of the sequence is carried out. Autocorrelation diagram and partial correlation diagram were used to evaluate the parameters of the identified ARMA model, including coefficients of the model and model order. Finally, the model was used to forecast the fitting of the shanghai composite index daily closing price with precision. Results showed that the non-stationary original data series was stationary after the second order difference. The forecast value of shanghai composite index daily closing price was closer to actual value, indicating that the ARMA model in the paper was a certain accuracy.

Detection and quantification of anionic detergent (lissapol) in milk using attenuated total reflectance-Fourier Transform Infrared spectroscopy.

PubMed

Jaiswal, Pranita; Jha, Shyam Narayan; Kaur, Jaspreet; Borah, Anjan

2017-04-15

Adulteration of milk to gain economic benefit is rampant. Addition of detergent in milk can cause food poisoning and other complications. Fourier Transform Infrared spectroscopy was evaluated as rapid method for detection and quantification of anionic detergent (lissapol) in milk. Spectra of pure and artificially adulterated milk (0.2-2.0% detergent) samples revealed clear differences in wavenumber range of 4000-500cm -1 . The apparent variations observed in region of 1600-995 and 3040-2851cm -1 corresponds to absorption frequencies of common constituents of detergent (linear alkyl benzene sulphonate). Principal component analysis showed discrete clustering of samples based on level of detergent (p⩽0.05) in milk. The classification efficiency for test samples were recorded to be >93% using Soft Independent Modelling of Class Analogy approach. Maximum coefficient of determination for prediction of detergent was 0.94 for calibration and 0.93 for validation, using partial least square regression in wavenumber combination of 1086-1056, 1343-1333, 1507-1456, 3040-2851cm -1 . Copyright © 2016 Elsevier Ltd. All rights reserved.

Alcohol and drug treatment involvement, 12-step attendance and abstinence: 9-year cross-lagged analysis of adults in an integrated health plan.

PubMed

Witbrodt, Jane; Ye, Yu; Bond, Jason; Chi, Felicia; Weisner, Constance; Mertens, Jennifer

2014-04-01

This study explored causal relationships between post-treatment 12-step attendance and abstinence at multiple data waves and examined indirect paths leading from treatment initiation to abstinence 9-years later. Adults (N = 1945) seeking help for alcohol or drug use disorders from integrated healthcare organization outpatient treatment programs were followed at 1-, 5-, 7- and 9-years. Path modeling with cross-lagged partial regression coefficients was used to test causal relationships. Cross-lagged paths indicated greater 12-step attendance during years 1 and 5 and were casually related to past-30-day abstinence at years 5 and 7 respectfully, suggesting 12-step attendance leads to abstinence (but not vice versa) well into the post-treatment period. Some gender differences were found in these relationships. Three significant time-lagged, indirect paths emerged linking treatment duration to year-9 abstinence. Conclusions are discussed in the context of other studies using longitudinal designs. For outpatient clients, results reinforce the value of lengthier treatment duration and 12-step attendance in year 1. Copyright © 2014 Elsevier Inc. All rights reserved.

Prediction of warmed-over flavour development in cooked chicken by colorimetric sensor array.

PubMed

Kim, Su-Yeon; Li, Jinglei; Lim, Na-Ri; Kang, Bo-Sik; Park, Hyun-Jin

2016-11-15

The aim of this study was to develop a simple and rapid method based on colorimetric sensor array (CSA) for evaluation of warmed-over flavour (WOF) in cooked chicken. All samples were classified according to storage time by CSA coupled with principle component analysis (PCA) or hierarchical cluster analysis (HCA). The CSA data were used to establish prediction models with thiobarbituric acid reactive substances (TBARS), pentanal, hexanal, or heptanal associated with WOF by partial least square regression (PLSR). For the TBARS model, the coefficient of determination (rp(2)) was 0.9997 in the prediction range of 0.28-0.69mg/kg. In each of the models for pentanal, hexanal, and heptanal, all rp(2) were higher than 0.960 in the range of 0.58-2.10mg/kg, 5.50-11.69mg/kg, and 0.09-0.16mg/kg, respectively. These results demonstrate that the CSA was able to predict WOF development and to distinguish between each storage time. Copyright © 2016 Elsevier Ltd. All rights reserved.

Molecular docking and 3D-QSAR studies on inhibitors of DNA damage signaling enzyme human PARP-1.

PubMed

Fatima, Sabiha; Bathini, Raju; Sivan, Sree Kanth; Manga, Vijjulatha

2012-08-01

Poly (ADP-ribose) polymerase-1 (PARP-1) operates in a DNA damage signaling network. Molecular docking and three dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed on human PARP-1 inhibitors. Docked conformation obtained for each molecule was used as such for 3D-QSAR analysis. Molecules were divided into a training set and a test set randomly in four different ways, partial least square analysis was performed to obtain QSAR models using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). Derived models showed good statistical reliability that is evident from their r², q²(loo) and r²(pred) values. To obtain a consensus for predictive ability from all the models, average regression coefficient r²(avg) was calculated. CoMFA and CoMSIA models showed a value of 0.930 and 0.936, respectively. Information obtained from the best 3D-QSAR model was applied for optimization of lead molecule and design of novel potential inhibitors.

High-throughput prediction of tablet weight and trimethoprim content of compound sulfamethoxazole tablets for controlling the uniformity of dosage units by NIR.

PubMed

Dong, Yanhong; Li, Juan; Zhong, Xiaoxiao; Cao, Liya; Luo, Yang; Fan, Qi

2016-04-15

This paper establishes a novel method to simultaneously predict the tablet weight (TW) and trimethoprim (TMP) content of compound sulfamethoxazole tablets (SMZCO) by near infrared (NIR) spectroscopy with partial least squares (PLS) regression for controlling the uniformity of dosage units (UODU). The NIR spectra for 257 samples were measured using the optimized parameter values and pretreated using the optimized chemometric techniques. After the outliers were ignored, two PLS models for predicting TW and TMP content were respectively established by using the selected spectral sub-ranges and the reference values. The TW model reaches the correlation coefficient of calibration (R(c)) 0.9543 and the TMP content model has the R(c) 0.9205. The experimental results indicate that this strategy expands the NIR application in controlling UODU, especially in the high-throughput and rapid analysis of TWs and contents of the compound pharmaceutical tablets, and may be an important complement to the common NIR on-line analytical method for pharmaceutical tablets. Copyright © 2016 Elsevier B.V. All rights reserved.

Rapid and non-destructive determination of rancidity levels in butter cookies by multi-spectral imaging.

PubMed

Xia, Qing; Liu, Changhong; Liu, Jinxia; Pan, Wenjuan; Lu, Xuzhong; Yang, Jianbo; Chen, Wei; Zheng, Lei

2016-03-30

Rancidity is an important attribute for quality assessment of butter cookies, while traditional methods for rancidity measurement are usually laborious, destructive and prone to operational error. In the present paper, the potential of applying multi-spectral imaging (MSI) technology with 19 wavelengths in the range of 405-970 nm to evaluate the rancidity in butter cookies was investigated. Moisture content, acid value and peroxide value were determined by traditional methods and then related with the spectral information by partial least squares regression (PLSR) and back-propagation artificial neural network (BP-ANN). The optimal models for predicting moisture content, acid value and peroxide value were obtained by PLSR. The correlation coefficient (r) obtained by PLSR models revealed that MSI had a perfect ability to predict moisture content (r = 0.909), acid value (r = 0.944) and peroxide value (r = 0.971). The study demonstrated that the rancidity level of butter cookies can be continuously monitored and evaluated in real-time by the multi-spectral imaging, which is of great significance for developing online food safety monitoring solutions. © 2015 Society of Chemical Industry.

Non-contact assessment of COD and turbidity concentrations in water using diffuse reflectance UV-Vis spectroscopy.

PubMed

Agustsson, Jon; Akermann, Oliver; Barry, D Andrew; Rossi, Luca

2014-08-01

Water contamination is an important environmental concern underlining the need for reliable real-time information on contaminant concentrations in natural waters. Here, a new non-contact UV-Vis spectroscopic approach for monitoring contaminants in water, and especially wastewater, is proposed. Diffuse reflectance UV-Vis spectroscopy was applied to measure simultaneously the chemical oxygen demand (COD) and turbidity (TUR) concentrations in water. The measurements were carried out in the wavelength range from 200-1100 nm. The measured spectra were analysed using partial-least-squares (PLS) regression. The correlation coefficient between the measured and the reference concentrations of COD and TUR in the water samples were R(2) = 0.85 and 0.96, respectively. These results highlight the potential of non-contact UV-Vis spectroscopy for the assessment of water contamination. A system built on the concept would be able to monitor wastewater pollution continuously, without the need for laborious sample collection and subsequent laboratory analysis. Furthermore, since no parts of the system are in contact with the wastewater stream the need for maintenance is minimised.

Suppressor Variables: The Difference between "Is" versus "Acting As"

ERIC Educational Resources Information Center

Ludlow, Larry; Klein, Kelsey

2014-01-01

Correlated predictors in regression models are a fact of life in applied social science research. The extent to which they are correlated will influence the estimates and statistics associated with the other variables they are modeled along with. These effects, for example, may include enhanced regression coefficients for the other variables--a…