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296 results for “OH”
Supplementary Data to Kinetic oxygen isotope fractionation between water and aqueous OH- during hydroxylation of CO2
<p>In this dataset, we provide analytical data to <strong>Kinetic oxygen isotope fractionation between water and aqueous OH<sup>-</sup> during hydroxylation of CO<sub>2</sub></strong> by Bajnai and Herwartz (2021). Also deposited here is the R code that was used to generate the figures in the manuscript.</p>
Optimized structures of the stationary points on the potential energy surface of the OH(2Π) + C2H4 reaction
<p>This Zip file contains the cartesian coordinates of optimized stationary points of the OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> potential energy surface published in our article “OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> Reaction: A Combined Crossed Molecular Beam and Theoretical Study” (P<em>hys. Chem. A</em> 2023, 127, 21, 4609–4623), that can be found in <a href="https://doi.org/10.1021/acs.jpca.2c08662">https://doi.org/10.1021/acs.jpca.2c08662</a>.</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Sample ECCOH OH Parameterization
<p>A sample parameterization of OH for July created to be used with the ECCOH module of the GEOS Earth System Model. The methodology to generate the parameterization is described in detail in the GMD article "A Machine Learning Methodology for the Generation of a Parameterization of the Hydroxyl Radical". The parameterization is included as an example and should not be used for research purposes without consulting the publication and/or the authors. We have also included the dataset used to train the parameterization (OHParameterization_TrainingSet_1980_2019_M07.dat) as well as the training targets (OHParameterization_Targets_1980_2019_M07.dat). The training data are from the NASA MERRA2 GMI simulation (https://acd-ext.gsfc.nasa.gov/Projects/GEOSCCM/MERRA2GMI/). The scripts used to generate the training dataset and the parameterization can be found at https://zenodo.org/record/6046037. </p>
Datasets of Listeria monocytogenes phenotypes colected in the EJP OH LISTADAPT project
<p>LISTADAPT datasets</p> <p>This repository gathered the phenotypic datasets in the LISTADAPT project (https://onehealthejp.eu/projects/jrp7-listadapt/)<br> It includes the Listeria monocytogenes phenotypic data associated to:<br> - biofilm formation<br> - MIC of antimicrobials<br> - Growth and survival in soil microsom<br> - Growth and survival in stressed conditions (culture medium)</p> <p>200 strains: 100 isolated in main RTE foods and 100 isolated from environment/farm/animals are studied.</p> <p>A versionning of the files is proposed, permitting to determine the more recent files in the repository. </p> <p> </p>
Dataset for the evaluation of Supercritical Fluid Chromatography Polar Stationary Phases with OH moieties
<p>Raw data used for the evaluation of supercritical fluid chromatography stationary phases with OH moieties published in article "Advancing Fundamental Understanding of Retention Interactions in Supercritical Fluid Chromatography Using Artificial Neural Networks: Polar Stationary Phases with OH moieties" in Analytical Chemistry, 2024. Data set contains: (i) chromatograms of 107 analytes measured on silica, hybrid silica, and diol column using methanol, 10 mmol/L ammonium in methanol, and 2% water in methanol as organic modifiers in 8 points during 1 year (Empower project, Excel sheets of retention times and measured mixtures), (ii) 226 molecular descriptors calculated by CDK Descriptor Calculator (v.1.4.8) from 3D structures of the 107 analytes optimized by semi-empirical AM1 quantum mechanical calculations using the MOPAC application of Chem 3D Pro version 14.0 software (CambridgeSoft) (Excel sheet), (iii) weights assigned to each molecular descriptor at each chromatographic conditions by artificial neural network created using the neural network simulator in Matlab R2023a with the deep learning toolbox V.23.2 (The MathWorks, Inc., Massachusetts, USA) and a sigmoid activation function, a backpropagation learning algorithm with 500 learning cycles (Excel sheet). </p>
Fig. 18 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 18. Proximal views of the right cuboid and navicular of a human (A) and a common chimpanzee (B) in a closepacked position showing the contribution of the talocuboid angle (v) to the height of the transverse arch (h). In the closepacked position the small angle shown by chimpanzees results in a higher transverse arch than normally seen in humans. The human arch, however, unlike that of chimpanzees, exhibits a fixed height. Owing to a small, irregular, and often absent cuboid facet, the human talocuboid angle could not be accurately measured.
Fig. 17 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 17. Contribution of navicular torsion (v) and the frontal mesoectocuneiform angle (w) to the relative set of the ectocuneiform, mesocuneiform, and the talar facet in the closepacked position as seen in line drawings of an exploded right foot of a human (A) and a gorilla (B) from a dorsodistal view. High values of the frontal mesoectocuneiform angle in humans (w) do not result in marked opposition of the second and third metatarsals given metatarsal, ectocuneiform, and mesocuneiform torsion values which correct for the imparted set. Despite similar torsion values in humans and gorillas, the metatarsal, ectocuneiform, and mesocuneiform torsion all contribute to causing more marked opposition of the second and third metatarsals in gorillas. Marked talar torsion or large frontal mesoectocuneiform angles, are also associated to a high transverse arch (see text).
Fig. 16 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 16. Dorsal view of the exploded left tarsus and metatarsus of a pygmy chimpanzee in the closepacked position showing the contribution of the transverse mesoectocuneiform angle (w) and the transverse cuboectocuneiform angle (v) to the divergence of the second through fourth metatarsals. Correction of the talocuboid angle by the facet sets on the cuboid and ectocuneiform results in third and fourth metatarsals that are nearly alinged (y). A relatively low transverse mesoectocuneiform angle results in a second metatarsal that is divergent from the most lateral three (x) despite a partial correction of this set by the mesocuneiform.
Fig. 15 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 15. Contributions of the entoectocuneiform and sagittal taloectocuneiform angles (w and v respectively) to the relative set of the first through third metatarsal in closepacked position as seen in line drawings of the exploded left foot of a human (A) and of a gorilla (B) in medial view. The large sagittal taloectocuneiform angle in gorillas imparts a dorsiflexed set to the third metatarsal and is associated with a dorsiflexed talar head, i.e. small angle of talar neck inclination (Day and Wood 1968). The gorilla entoectocuneiform angle imparts a plantar set to the entocuneiform relative to the ectocuneiform and is associated with an abducted hallux, i.e. plantar divergence of the hallux relative to second (x) and third metatarsals (y). The human taloectocuneiform and entoectocuneiform angles are associated with a plantar flexed talar head (i.e., large angle of talar neck inclination), nearly aligned first to third metatarsals, and a longitudinal plantar arch. Due to a fixed transverse arch in humans, however, the long axis of the second and third metatarsals must have a more plantar inclination than the hallux, and the value of x and y are negative. Because the major axis of the navicular's talar facet is not necessarily held vertically, the sagittal taloectocuneiform and entoectocuneiform angles may also impart some degree of medial divergence to the hallux.
Fig. 14 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 14. Plot of mean canonical variate scores for studied taxa. All fossils are based on single samples. The actual Mahalanobis D for all of the canonical variates separating taxa is given as the value above each connecting line (table 11). Connecting lines represent a Minimum Spanning Tree (after Rohlf, 1997). Owing to a twodimensional projection, the actual lengths of the connecting lines on the plot represent only a fraction of the D values.
Fig. 13 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 13. Dendrograms of the studied taxa constructed using unweighted pair group method (Rohlf, 1997). Inset shows portion of dendrogram which differs when both Hadar naviculars are considered as a single sample.
Fig. 12. A in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 12. A plot of the first two canonical variates with vectors representing the contribution of each of the measured variables to the scatter within and among measured taxa. Arrows point to fossils. Note the distinctiveness of H. sapiens, the uniqueness of Oreopithecus and the similarities of Hadar and African apes, of OH 8 and Homo, and of great ape species or subspecies within genera. The vectors representing the frontal mesoectocuneiform angle (EctMsFn) and the mediolateral diameter of the entocuneiform facet (EntFml) are nearly overlapping. Vector lengths are exagerated by a factor of ten, and owing to a twodimensional projection, are not proportional to their actual length. Eighty percent of the variance among means relative to the withingroup variance is summarized by the first two canonical variates (see figure 14 for plotted means of the first two canonical variates). Program written in Matlab version 5.1. This ''biplot'' is after Rohlf (1997); see Marcus (1993) for a discussion. The program and navicular data are available from one of us (LM). TalFlng = talar facet dorsoplantar (major axis) diameter, TalFwd = talar facet mediolateral (minor axis) diameter, EctFpd= ectocuneiform facet dorsoplantar diameter, EctFml= ectocuneiform facet mediolateral diameter, MesFdp= mesocuneiform facet dorsoplantar diameter, MesFml= mesocuneiform facet mediolateral diameter, EntFml= entocuneiform facet mediolateral diameter, EntFdp= entocuneiform facet dorsoplantar diameter, MaxLng= navicular maximum length, CuFdp= cuboid facet dorsoplantar diameter, CuFml= cuboid facet mediolateral diameter, TalFlDp= depth of talar facet along major axis, TalTrDp= depth of talar facet along minor axis; CubEcto = transverse cuboectocuneiform angle, EctMstr= transverse mesoectocuneiform angle, Tor= navicular torsion, EctMsFn= frontal mesoectocuneiform angle, TalEct= sagittal taloectocuneifrom angle, EctEmt= entoectocuneiform angle.
Fig. 11 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 11. Cube root of lower limbvolume (mm) vs. square root of total navicular crosssectional area (mm) in humans, great apes, and fossil hominoids.
Fig. 10 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 10. The sum of the femoral and tibial crosssectional areas (mm2) vs. talar facet crosssectional area (mm2) in humans, great apes, and fossil hominoids.
Fig. 9 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 9. Bivariate plot of cube root of body weight (kg⅓) vs. square root of total navicular facet crosssectional area (mm) in great apes. N = 62, Slope = 6.58, y intercept = 143.77. At 95% confidence limits OH 8, the two Hadar naviculars, and Oreopithecus were calculated to have body weights of 12.0– 100.3 kg, 17.6–143.6 kg (AL 33347), 18.6–155.1 kg (AL 33336), and 4.4–39.5 kg respectively.
Fig. 7 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 7. Dorsoplantar (major axis) diameter (mm) vs. mediolateral (minor axis) diameter (mm) of the talar facet (i.e., talar facet length vs. talar facet width) in humans, great apes, and fossil hominoids. Arrows point to fossils.
Fig. 4 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 4. Mesocuneiform facet crosssectional area (mm2) vs. total navicular facet crosssectional area
Fig. 3 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 3. Ectocuneiform facet crosssectional area (mm2) vs. total navicular facet crosssectional area
Fig. 5 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 5. Entocuneiform facet crosssectional area (mm2) vs. total navicular facet crosssectional area
Fig. 6 in The Os Navicular of Humans, Great Apes, OH 8, Hadar, and Oreopithecus: Function, Phylogeny, and Multivariate Analyses
Fig. 6. Cuboid facet crosssectional area (mm2) vs. total navicular facet crosssectional area (mm2) in humans, great apes, and fossil hominoids. Arrows point to fossils.
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