Five statistical models for Likert-type experimental data on acceptability judgments

The development of predictive tools to assess enzyme mutant performance and physical organic approaches to enzyme mechanistic interrogation are crucial to the field of biocatalysis. While many indispensable tools exist to address qualitative aspects of biocatalytic reaction design, they often require extensive experimental data sets or a priori knowledge of reaction mechanism. However, quantitative prediction of enzyme performance is lacking. Herein, we present a workflow that merges both computational and experimental data to produce statistical models that predict the performance of new substrates and enzyme mutants while also providing insight into reaction mechanism. As a validating case study, this platform was applied to investigate a non-native enantioselective photoenzymatic radical cyclization. Statistical models enabled interrogation of the reaction mechanism, and the predictive capabilities of these same models led to the quantitative prediction of the enantioselectivities of new substrates with several enzyme mutants. This platform was constructed for application to any biocatalytic system wherein mechanistic interrogation, prediction of reaction performance with new substrates, or quantitative performance of enzyme mutants would be desirable. Overall, this proof of concept study provides a new tool to complement existing protein engineering and reaction design strategies.

Download Full-text

An application of principal component analysis for pre- harvest forecast model for rice crop based on biometrical characters

Journal of Applied and Natural Science ◽

10.31018/jans.v8i3.935 ◽

2016 ◽

Vol 8 (3) ◽

pp. 1164-1167

Author(s):

Annu Annu ◽

B.V.S. Sisodia ◽

V. N. Rai

Keyword(s):

Experimental Data ◽

Principal Component Analysis ◽

Statistical Models ◽

Rice Yield ◽

Principal Component ◽

Forecast Model ◽

Component Analysis ◽

Statistical Tool ◽

Actual Yield ◽

First Time

An application of principal component analysis for the development of suitable statistical models for preharvest forecast of rice yield based on biometrical characters has been dealt with in the present paper. The data obtained from the two experiments on rice have been utilised to develop the model. The forecast yields of based onthese models have been found to be 24.25, 22.60 and 21.10 q/ha against the actual yield of 28.00, 23.56 and 21.85 q/ha, respectively, in experiment â€“I. For experiment â€“II the forecast yields were found to be 24.62, 28.06 and 29.43 q/ha against the actual yield of 28.82, 29.31 and 26.59 q/ha, respectively. These forecast yields are subject to maximum of almost 10 percent standard error. In most of the cases, the forecast yields were found to be close to the actual yield except in some cases. The values of R2, i.e. 79.80 and 72.60 for experiment â€“I and II, respectively, indicate the validity of the models. Statistical tool like viz. principal component analysis (PCA) has been first time applied to develop pre-harvest forecast model based on experimental data.

Download Full-text

Characterizing the dynamical accumulation of nuclear DNA in the sperm cells of Lycium barbarum L.

International Journal of Plant Biology ◽

10.4081/pb.2015.5996 ◽

2016 ◽

Vol 6 (1) ◽

Author(s):

Hua Deng ◽

Pierre Nouvellet ◽

David Waxman

Keyword(s):

Experimental Data ◽

Monte Carlo ◽

Markov Chain ◽

Statistical Analysis ◽

Statistical Models ◽

Nuclear Dna ◽

Sperm Cells ◽

Estimation Of Parameters ◽

Lycium Barbarum ◽

Over Time

When sperm cells of the plant Lycium barbarum L. (L. barbarum) form in a style they begin to synthesize nuclear DNA (nDNA), which monotonically increases over time. To characterize the dynamics of nDNA accumulation, we present two new dynamical/statistical models. We applied these models to the accumulation of the nDNA content of sperm cells in L. barbarum between 16 to 32 hours after pollination in a style. A statistical analysis of experimental data, involving Markov chain Monte Carlo methods, allowed estimation of parameters of the models. We conclude that the model with no variation in the rate of nDNA accumulation adequately summarizes the data. This is the first work where the dynamics of nDNA accumulation has been quantitatively modeled and analyzed.

Download Full-text

Magnetic and Chemical Ordering in the NiPt and the CoPt Systems

MRS Proceedings ◽

10.1557/proc-186-71 ◽

1990 ◽

Vol 186 ◽

Cited By ~ 2

Author(s):

J.M. Sanchez ◽

J.L. MorÁn-LÓpez ◽

M.C. Cadeville

Keyword(s):

Experimental Data ◽

Curie Temperature ◽

Phase Diagrams ◽

Statistical Models ◽

Short Range ◽

Short Range Order ◽

Equilibrium Phase ◽

Experimental Results ◽

Magnetic Interactions ◽

Chemical Ordering

AbstractThe interplay between atomic ordering and magnetism in the NiPt and the CoPt systems is investigated theoretically and experimentally. The complete equilibrium phase diagrams are calculated within the framework of statistical models and are compared with experimental data. Experimental results for the Curie temperature, magnetization and paramagnetic susceptibility in ordered and disordered states are satisfactorily reproduced by a Hamiltonian that contains chemical and short-range order dependent magnetic interactions.

Download Full-text

Microdiffraction Patterns of Small Metallic Particles II; Theoretical Analysis

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100055680 ◽

1982 ◽

Vol 40 ◽

pp. 668-669

Author(s):

A. Gómez ◽

P. Schabes-Retchkiman ◽

M. José-Yacamán ◽

T. Ocaña

Keyword(s):

Experimental Data ◽

Electron Diffraction ◽

Theoretical Analysis ◽

Size Range ◽

Dynamical Theory ◽

Metallic Particles ◽

Splitting Effect

The splitting effect that is observed in microdiffraction pat-terns of small metallic particles in the size range 50-500 Å can be understood using the dynamical theory of electron diffraction for the case of a crystal containing a finite wedge. For the experimental data we refer to part I of this work in these proceedings.

Download Full-text

Evidence for ordered Fe3Ni

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100125981 ◽

1987 ◽

Vol 45 ◽

pp. 216-217

Author(s):

K.B. Reuter ◽

D.B. Williams ◽

J.I. Goldstein

Keyword(s):

Experimental Data ◽

Martensitic Transformation ◽

Electron Diffraction ◽

Room Temperature ◽

Direct Evidence ◽

Transformation Product ◽

Iron Meteorites ◽

X Ray ◽

Ni Content ◽

Temperature Transformation

In the Fe-Ni system, although ordered FeNi and ordered Ni3Fe are experimentally well established, direct evidence for ordered Fe3Ni is unconvincing. Little experimental data for Fe3Ni exists because diffusion is sluggish at temperatures below 400°C and because alloys containing less than 29 wt% Ni undergo a martensitic transformation at room temperature. Fe-Ni phases in iron meteorites were examined in this study because iron meteorites have cooled at slow rates of about 10°C/106 years, allowing phase transformations below 400°C to occur. One low temperature transformation product, called clear taenite 2 (CT2), was of particular interest because it contains less than 30 wtZ Ni and is not martensitic. Because CT2 is only a few microns in size, the structure and Ni content were determined through electron diffraction and x-ray microanalysis. A Philips EM400T operated at 120 kV, equipped with a Tracor Northern 2000 multichannel analyzer, was used.

Download Full-text