A gene frequency model for QTL mapping using Bayesian inference

<p>Abstract</p> <p>Background</p> <p>Information for mapping of quantitative trait loci (QTL) comes from two sources: linkage disequilibrium (non-random association of allele states) and cosegregation (non-random association of allele origin). Information from LD can be captured by modeling conditional means and variances at the QTL given marker information. Similarly, information from cosegregation can be captured by modeling conditional covariances. Here, we consider a Bayesian model based on gene frequency (BGF) where both conditional means and variances are modeled as a function of the conditional gene frequencies at the QTL. The parameters in this model include these gene frequencies, additive effect of the QTL, its location, and the residual variance. Bayesian methodology was used to estimate these parameters. The priors used were: logit-normal for gene frequencies, normal for the additive effect, uniform for location, and inverse chi-square for the residual variance. Computer simulation was used to compare the power to detect and accuracy to map QTL by this method with those from least squares analysis using a regression model (LSR).</p> <p>Results</p> <p>To simplify the analysis, data from unrelated individuals in a purebred population were simulated, where only LD information contributes to map the QTL. LD was simulated in a chromosomal segment of 1 cM with one QTL by random mating in a population of size 500 for 1000 generations and in a population of size 100 for 50 generations. The comparison was studied under a range of conditions, which included SNP density of 0.1, 0.05 or 0.02 cM, sample size of 500 or 1000, and phenotypic variance explained by QTL of 2 or 5%. Both 1 and 2-SNP models were considered. Power to detect the QTL for the BGF, ranged from 0.4 to 0.99, and close or equal to the power of the regression using least squares (LSR). Precision to map QTL position of BGF, quantified by the mean absolute error, ranged from 0.11 to 0.21 cM for BGF, and was better than the precision of LSR, which ranged from 0.12 to 0.25 cM.</p> <p>Conclusions</p> <p>In conclusion given a high SNP density, the gene frequency model can be used to map QTL with considerable accuracy even within a 1 cM region.</p

Astrochemical investigations of molecular ices using surface science techniques

EMBARGOED - expected end date 09.04.2026</p

Gas phase electronic spectra of xylene-water aggregates

Using a jet spectroscopy molecular beam setup, gas phase electronic spectra of three xylene isomers (para, meta and ortho) have been collected for the neutral monomer species as well as for their clusters with one and two water molecules. Scans at a resolution of ±0.02 nm showed a clear 0-0 transition for each xylene isomer as well as the vibronic progression. The spectra were assigned with the help of Franck–Condon factor PGOPHER simulations from theoretical studies at the CAM-B3LYP/aug-cc-pVDZ level of theory. The vibronic spectra of the xylene.H2O and xylene.(H2O)2 clusters showed broad features between 36800–38400 cm−1 (260–272 nm) for p- and m-xylene, while the water clusters of o-xylene gave more defined bands. The separation of the vibronic bands in the clusters mirrors the progression of the neutral monomers implying that, for the S1<S0 transition, it is the same vibrational modes that are involved in the monomer as in the clusters with water. Both the separation and the spectral width of the bands can be explained by the calculated differences in geometries of the clusters in the ground and first electronic excited states

Gas phase electronic spectra of xylene-water aggregates

Using a jet spectroscopy molecular beam setup, gas phase electronic spectra of three xylene isomers (para, meta and ortho) have been collected for the neutral monomer species as well as for their clusters with one and two water molecules. Scans at a resolution of ±0.02 nm showed a clear 0–0 transition for each xylene isomer as well as the vibronic progression. The spectra were assigned with the help of Franck–Condon factor PGOPHER simulations from theoretical studies at the CAM-B3LYP/aug-cc-pVDZ level of theory. The vibronic spectra of the xylene⋅H2O and xylene⋅(H2O)2 clusters showed broad features between 36800–38400 cm−1 (260–272 nm) for p- and m-xylene, while the water clusters of o-xylene gave more defined bands. The separation of the vibronic bands in the clusters mirrors the progression of the neutral monomers implying that, for the S1 ← S0 transition, it is the same vibrational modes that are involved in the monomer as in the clusters with water. Both the separation and the spectral width of the bands can be explained by the calculated differences in geometries of the clusters in the ground and first electronic excited states.Fil: Fulker, Jack E.. University of Sussex; Reino UnidoFil: Gutiérrez Quintanilla, Alejandro. Aix-Marseille Université; FranciaFil: Brown, Wendy A.. University of Sussex; Reino UnidoFil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Hacquard, Antoine. Aix-Marseille Université; FranciaFil: Niedojadlo, Ana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Noble, Jennifer Anna. Aix-Marseille Université; Franci

Data for paper Gas phase electronic spectra of xylene-water aggregates

Research data for paper published in Journal of Molecular Spectroscopy (March 2023). The data consist of multiphoton ionisation spectroscopy of xylene and xylene-water clusters and computational output files for calculations for xylene monomers and xylene-water clusters using Gaussian and PGOPHER. Raw experimental data from the Jet spectroscopy molecular beam experiment for the following species; p-xylene, p-xylene⋅H2O, p-xylene⋅(H2O)2, m-xylene, m-xylene⋅H2O, m-xylene⋅(H2O)2, o-xylene, o-xylene⋅H2O and o-xylene⋅(H2O)2. These files are .csv and can be opened in Excel or equivalent packages. Gaussian16 output files for Opt+Freq, NCI, NBO and QTAIM calculations at the CAM-B3LYP/aug-cc-pVDZ level of theory for the following species in the S0 and S1 states; p-xylene, p-xylene⋅H2O, p-xylene⋅(H2O)2, m-xylene, m-xylene⋅H2O, m-xylene⋅(H2O)2, o-xylene, o-xylene⋅H2O and o-xylene⋅(H2O)2. These files can be opened as text files, but will need computational software to display the structures. PGOPHER output files for Franck-Condon factor simulations for the following species; p-xylene, p-xylene⋅H2O, p-xylene⋅(H2O)2, m-xylene, m-xylene⋅H2O, m-xylene⋅(H2O)2, o-xylene, o-xylene⋅H2O and o-xylene⋅(H2O)2. To open these files, PGOPHER will be needed. Article abstract Using a jet spectroscopy molecular beam setup, gas phase electronic spectra of three xylene isomers (para, meta and ortho)  have been collected for the neutral monomer species as well as for  their clusters with one and two water molecules. Scans at a resolution  of ±0.02 nm showed a clear 0-0 transition for each xylene isomer as well  as the vibronic progression. The spectra were assigned with the help of  Franck–Condon factor PGOPHER simulations from theoretical studies at  the CAM-B3LYP/aug-cc-pVDZ level of theory. The vibronic spectra of the  xyleneHO and xylene(H2O)2 clusters showed broad features between 36800–38400 cm−1 (260–272 nm) for p- and m-xylene, while the water clusters of o-xylene  gave more defined bands. The separation of the vibronic bands in the  clusters mirrors the progression of the neutral monomers implying that,  for the S1  S0  transition, it is the same vibrational modes that are involved in the  monomer as in the clusters with water. Both the separation and the  spectral width of the bands can be explained by the calculated  differences in geometries of the clusters in the ground and first  electronic excited states.</p

Laboratory astrochemistry of and on dust and ices: general discussion

No description supplied</p

The influence of sensation seeking in the heritability of entrepreneurship.

This study examined the influence of genetic factors on the tendency to engage in entrepreneurship. We found that, in the particular sample we examined, between 37 and 42 percent of the variance in the tendency of people to engage in entrepreneurship is accounted for by genetic factors. A substantial part of this variance was mediated by the psychological trait of sensation seeking, suggesting that genes affect the tendency of people to engage in entrepreneurship by affecting the distribution of sensation seeking across people