cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.6020714
title: MOESM1 of Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity

description: Additional file 1. Michaelis–Menten Kinetics and Lineweaver–Burk plots of Chit42 and the substrates analysed (Figure S1), mass spectrum data from the reaction mixtures obtained with colloidal chitin and chitosan QS1 as substrate (Figure S2, Tables S1 and S2) as well as the HPAEC-PAD chromatograms of reactions obtained using different chitosans as substrates (Figure S3). Figure S1. Michaelis–Menten Kinetics of chitinase Chit42 expressed in P. pastoris and the substrates: colloidal chitin (a1), chitosan QS1 (b1), chitosan QS2 (c1), chitosan CHIT600 (d1), and chitosan CHIT100 (e1) at the indicated concentrations in mg/mL. Lineweaver–Bruk plots (double reciprocal plots) for the referred substrates are shown in the panels of the right column (a2, b2, c2, d2 and e2). Vmax and Km values (from Sigma Plot version 11) are also shown. Figure S2. Mass spectrum of the reaction mixtures obtained with colloidal chitin (a) and chitosan QS1 (b) as substrate. Reaction conditions: substrates 0.8% (w/v), 35 ºC, 24 h. Molecular masses plus sodium were detected in positive mode. The peaks corresponding to identified COS, by the availability of the corresponding standard, are indicated. Figure S3. Chromatograms of reactions obtained with different chitosans as substrate. HPAEC-PAD analysis of reactions based on the referred chitosans. Reaction conditions: 0.8% (w/v) of the chitosan indicated, 100 mM sodium acetate pH 5.5, 35 ºC, 24 h reaction. (1) GlcNAc; (2) (GlcNAc)2. The chromatogram of the indicated acetylated standards is also included. Other peaks could not be identified due to lack of the commercial corresponding standard.
DOI: 10.6084/m9.figshare.6020714.v1
title: MOESM1 of Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity

description: Additional file 1. Michaelis–Menten Kinetics and Lineweaver–Burk plots of Chit42 and the substrates analysed (Figure S1), mass spectrum data from the reaction mixtures obtained with colloidal chitin and chitosan QS1 as substrate (Figure S2, Tables S1 and S2) as well as the HPAEC-PAD chromatograms of reactions obtained using different chitosans as substrates (Figure S3). Figure S1. Michaelis–Menten Kinetics of chitinase Chit42 expressed in P. pastoris and the substrates: colloidal chitin (a1), chitosan QS1 (b1), chitosan QS2 (c1), chitosan CHIT600 (d1), and chitosan CHIT100 (e1) at the indicated concentrations in mg/mL. Lineweaver–Bruk plots (double reciprocal plots) for the referred substrates are shown in the panels of the right column (a2, b2, c2, d2 and e2). Vmax and Km values (from Sigma Plot version 11) are also shown. Figure S2. Mass spectrum of the reaction mixtures obtained with colloidal chitin (a) and chitosan QS1 (b) as substrate. Reaction conditions: substrates 0.8% (w/v), 35 ºC, 24 h. Molecular masses plus sodium were detected in positive mode. The peaks corresponding to identified COS, by the availability of the corresponding standard, are indicated. Figure S3. Chromatograms of reactions obtained with different chitosans as substrate. HPAEC-PAD analysis of reactions based on the referred chitosans. Reaction conditions: 0.8% (w/v) of the chitosan indicated, 100 mM sodium acetate pH 5.5, 35 ºC, 24 h reaction. (1) GlcNAc; (2) (GlcNAc)2. The chromatogram of the indicated acetylated standards is also included. Other peaks could not be identified due to lack of the commercial corresponding standard.
DOI: 10.6084/m9.figshare.6020282
title: Children’s Stress and Behavioral Problems: Effects of Family Functioning and Class Environment

description: 1,416 children in the fourth, fifth, and sixth grades from five schools completed questionnaires measuring daily stressors, general family functioning, and class environment. Additionally, parents rated children's behavioral problems. The latent moderated structural equation approach was applied to test moderator effects.
DOI: 10.6084/m9.figshare.6020264
title: The prevalence of brain abnormalities in boys with central precocious puberty may be overestimated.xlsx

description: This is the clinical data for the boys with central precocious puberty who have taken sellar MRI.
DOI: 10.6084/m9.figshare.6020264.v1
title: The prevalence of brain abnormalities in boys with central precocious puberty may be overestimated.xlsx

description: This is the clinical data for the boys with central precocious puberty who have taken sellar MRI.
DOI: 10.6084/m9.figshare.6020183
title: all-mias.tar.gz

description: This is a mammogram dataset downloaded from<br>http://peipa.essex.ac.uk/info/mias.html<br><br>This dataset is downloaded to perform a study on it.
DOI: 10.6084/m9.figshare.6020153
title: Using imaging spectroscopy to detect variation in terrestrial ecosystem productivity across a water-stressed landscape

description: Supporting documentation for Using imaging spectroscopy to detect variation in terrestrial ecosystem productivity across a water-stressed landscape.<br>This fileset contains the R code for creating NDSI values for AVIRIS imagery, R code for running the PLSR model, and output for the PLSR GPP model. <br>The PLSR model used NDSI values from AVIRIS imagery and eddy covariance estimated GPP, and averaged 1000 simulations to predict GPP. This dataset includes the flux tower metadata for each site at each overflight, and includes the output from the 1000 simulations and summary statistics.
DOI: 10.6084/m9.figshare.6020153.v1
title: PLSR_NDSI_models_PsynDuring_Predictions.csv

description: Output for the PLSR GPP model. This model used NDSI values from AVIRIS imagery and averaged 1000 simulations to predict GPP. This dataset includes the flux tower metadata for each site at each overflight, and includes the output from the 1000 simulations and summary statistics.
DOI: 10.6084/m9.figshare.6020150
title: Theoretical ribosomal protein mass fingerprint of Monosiga brevicollis

description: This is a dataset containing the theoretical molecular mass of various ribosomal proteins in the large and small ribosome subunit of <i>Monosiga brevicollis.</i><br><br><br>
DOI: 10.6084/m9.figshare.6020150.v1
title: Theoretical ribosomal protein mass fingerprint of Monosiga brevicollis

description: This is a dataset containing the theoretical molecular mass of various ribosomal proteins in the large and small ribosome subunit of <i>Monosiga brevicollis.</i><br><br><br>
DOI: 10.6084/m9.figshare.6020012
title: DalHouses (colour, transparent background, .png)

description: These are colour versions of the stimuli described in Filliter, J.H., Glover, J.M., McMullen, P.A., Salmon, J.P., & Johnson, S.A. (Under review). The DalHouses: 100 new photographs of houses with ratings of typicality, familiarity, and degree of similarity to faces. <em>Behavior Research Methods. </em>Please contact the first or corresponding authors should you require the stimuli in a different format or size. <br>
DOI: 10.6084/m9.figshare.6020012.v2
title: DalHouses (colour, .png)

description: These are colour versions of the stimuli described in Filliter, J.H., Glover, J.M., McMullen, P.A., Salmon, J.P., & Johnson, S.A. (Under review). The DalHouses: 100 new photographs of houses with ratings of typicality, familiarity, and degree of similarity to faces. <em>Behavior Research Methods. </em>Please contact the first or corresponding authors should you require the stimuli in a different format or size. <br>
DOI: 10.6084/m9.figshare.6019967
title: Appendix 4. Charting table of documents included for discussion.

description: Appendix 4<br>
DOI: 10.6084/m9.figshare.6019967.v3
title: Appendix 4. Charting table of documents included for discussion.

description: Appendix 4<br>
DOI: 10.6084/m9.figshare.6019967.v2
title: Appendix 4. Charting table of documents included for discussion.

description: Appendix 4<br>
DOI: 10.6084/m9.figshare.6019922
title: Article PONE-17-27443 Supplementary data

description: Article PONE-17-27443 Supplementary data
DOI: 10.6084/m9.figshare.6019922.v1
title: Article PONE-17-27443 Supplementary data

description: Article PONE-17-27443 Supplementary data
DOI: 10.6084/m9.figshare.6019811
title: 18crown6_PM3

description: PM3 optimisation of PBE-preoptimised Crown
DOI: 10.6084/m9.figshare.6019811.v1
title: 18crown6_PM3

description: PM3 optimisation of PBE-preoptimised Crown
DOI: 10.6084/m9.figshare.6019709
title: 18crown6_AM1

description: AM1 optimisation of PBE-preoptimised conformers of crown
DOI: 10.6084/m9.figshare.6019709.v2
title: 18crown6_AM1

description: AM1 optimisation of PBE-preoptimised conformers of crown
DOI: 10.6084/m9.figshare.6019709.v1
title: 18crown6_AM1

description: AM1 optimisation of PBE-preoptimised conformers of crown
DOI: 10.6084/m9.figshare.6019703
title: Performance Management: A Systematic Review of Processes in Elite Sport and Other Performance Domains

description: Performance management is integral for high-performing organizations and teams. The purpose of this review was to synthesize evidence on performance management across elite sport and other performance-focused domains (business, performing arts, high-risk professions). A systematic search and screening strategy was undertaken. Twenty studies satisfied the inclusion criteria. Thematic synthesis enabled the identification of key components of performance management. Similarities and differences between elite sport and other domains are identified across the following themes: <i>strategic performance management, operational performance management, individual performance management</i>, and <i>leadership of the performance team</i>. Implications for practitioners in elite sport are also considered across these themes.
DOI: 10.6084/m9.figshare.6019703.v1
title: Performance Management: A Systematic Review of Processes in Elite Sport and Other Performance Domains

description: Performance management is integral for high-performing organizations and teams. The purpose of this review was to synthesize evidence on performance management across elite sport and other performance-focused domains (business, performing arts, high-risk professions). A systematic search and screening strategy was undertaken. Twenty studies satisfied the inclusion criteria. Thematic synthesis enabled the identification of key components of performance management. Similarities and differences between elite sport and other domains are identified across the following themes: <i>strategic performance management, operational performance management, individual performance management</i>, and <i>leadership of the performance team</i>. Implications for practitioners in elite sport are also considered across these themes.
DOI: 10.6084/m9.figshare.6019664
title: The Power to Detect and Predict Individual Differences in Intra-Individual Variability Using the Mixed-Effects Location-Scale Model

description: Our goal is to provide empirical scientists with practical tools and advice with which to test hypotheses related to individual differences in intra-individual variability using the mixed-effects location-scale model. To that end, we evaluate Type I error rates and power to detect and predict individual differences in intra-individual variability using this model and provide empirically-based guidelines for building scale models that include random and/or systematically-varying fixed effects. We also provide two power simulation programs that allow researchers to conduct <i>a priori</i> empirical power analyses. Our results aligned with statistical power theory, in that, greater power was observed for designs with more individuals, more repeated occasions, greater proportions of variance available to be explained, and larger effect sizes. In addition, our results indicated that Type I error rates were acceptable in situations when individual differences in intra-individual variability were not initially detectable as well as when the scale-model individual-level predictor explained all initially detectable individual differences in intra-individual variability. We conclude our paper by providing study design and model building advice for those interested in using the mixed-effects location-scale model in practice.
DOI: 10.6084/m9.figshare.6019664.v1
title: The Power to Detect and Predict Individual Differences in Intra-Individual Variability Using the Mixed-Effects Location-Scale Model

description: Our goal is to provide empirical scientists with practical tools and advice with which to test hypotheses related to individual differences in intra-individual variability using the mixed-effects location-scale model. To that end, we evaluate Type I error rates and power to detect and predict individual differences in intra-individual variability using this model and provide empirically-based guidelines for building scale models that include random and/or systematically-varying fixed effects. We also provide two power simulation programs that allow researchers to conduct <i>a priori</i> empirical power analyses. Our results aligned with statistical power theory, in that, greater power was observed for designs with more individuals, more repeated occasions, greater proportions of variance available to be explained, and larger effect sizes. In addition, our results indicated that Type I error rates were acceptable in situations when individual differences in intra-individual variability were not initially detectable as well as when the scale-model individual-level predictor explained all initially detectable individual differences in intra-individual variability. We conclude our paper by providing study design and model building advice for those interested in using the mixed-effects location-scale model in practice.
DOI: 10.6084/m9.figshare.6019586
title: High resolution FTIR spectroscopy of fluoroform <sup>12</sup>CHF<sub>3</sub> and critical analysis of the infrared spectrum from 25 to 1500 cm<sup>−1</sup>

description: We report high-resolution ( 0.001 cm<sup>−1</sup>) Fourier Transform Infrared spectra of fluoroform (CHF<sub>3</sub>) including the pure rotational (far infrared or THz) range (28–65 cm<sup>−1</sup>), the ν<sub>3</sub> fundamental ( = 700.099 cm<sup>−1</sup>), as well as the associated “hot’ band 2ν<sub>3</sub> − ν<sub>3</sub> ( = 699.295 cm<sup>−1</sup>) and the ‘atmospheric window’ range 1100–1250 cm<sup>−1</sup> containing the strongly coupled polyad of the levels ν<sub>2</sub>, ν<sub>5</sub> and ν<sub>3</sub> + ν<sub>6</sub>, at room temperature and at 120 K using the collisional cooling cell coupled to our Bruker IFS 125 HR prototype (ZP2001) spectrometer and Bruker IFS 125 HR ETH-SLS prototype at the Swiss Light Source providing intense synchrotron radiation. The pure rotational spectra provide new information about the vibrational ground state of CHF<sub>3</sub>, which is useful for further analysis of excited vibrational states. The ν<sub>3</sub> fundamental band is re-investigated together with the corresponding ‘hot’ band 2ν<sub>3</sub> − ν<sub>3</sub> leading to an extension of the existing line lists up to 4430 transitions with = 66 for ν<sub>3</sub> and 1040 transitions with = 43 for 2ν<sub>3</sub> − ν<sub>3</sub>. About 6000 transitions were assigned to rovibrational levels in the polyad ν<sub>2</sub>/ν<sub>5</sub>/ν<sub>3</sub> + ν<sub>6</sub> with = 63 for ν<sub>2</sub> ( = 1141.457 cm<sup>−1</sup>), = 63 for ν<sub>5</sub> ( = 1157.335 cm<sup>−1</sup>) and = 59 for ν<sub>3</sub> + ν<sub>6</sub> ( = 1208.771 cm<sup>−1</sup>)( = in each case). The resonance interactions between the ν<sub>2</sub>, ν<sub>5</sub> and ν<sub>3</sub> + ν<sub>6</sub> states have been taken into account providing an accurate set of effective hamiltonian parameters, which reproduce the experimental results with an accuracy close to the experimental uncertainties (with a root mean square deviation <i>d</i><sub>rms</sub> = 0.00025 cm<sup>−1</sup>). The analysis is further extended to the ν<sub>4</sub> fundamental ( = 1377.847 cm<sup>−1</sup>) interacting with 2ν<sub>3</sub> ( = 1399.394 cm<sup>−1</sup>). The results are discussed in relation to the importance of understanding the spectra of CHF<sub>3</sub> as a greenhouse gas and as part of our large effort to measure and understand the complete spectrum of CHF<sub>3</sub> from the far-infrared to the near-infrared as a prototype for intramolecular quantum dynamics and rovibrational energy redistribution.
DOI: 10.6084/m9.figshare.6019586.v1
title: High resolution FTIR spectroscopy of fluoroform <sup>12</sup>CHF<sub>3</sub> and critical analysis of the infrared spectrum from 25 to 1500 cm<sup>−1</sup>

description: We report high-resolution ( 0.001 cm<sup>−1</sup>) Fourier Transform Infrared spectra of fluoroform (CHF<sub>3</sub>) including the pure rotational (far infrared or THz) range (28–65 cm<sup>−1</sup>), the ν<sub>3</sub> fundamental ( = 700.099 cm<sup>−1</sup>), as well as the associated “hot’ band 2ν<sub>3</sub> − ν<sub>3</sub> ( = 699.295 cm<sup>−1</sup>) and the ‘atmospheric window’ range 1100–1250 cm<sup>−1</sup> containing the strongly coupled polyad of the levels ν<sub>2</sub>, ν<sub>5</sub> and ν<sub>3</sub> + ν<sub>6</sub>, at room temperature and at 120 K using the collisional cooling cell coupled to our Bruker IFS 125 HR prototype (ZP2001) spectrometer and Bruker IFS 125 HR ETH-SLS prototype at the Swiss Light Source providing intense synchrotron radiation. The pure rotational spectra provide new information about the vibrational ground state of CHF<sub>3</sub>, which is useful for further analysis of excited vibrational states. The ν<sub>3</sub> fundamental band is re-investigated together with the corresponding ‘hot’ band 2ν<sub>3</sub> − ν<sub>3</sub> leading to an extension of the existing line lists up to 4430 transitions with = 66 for ν<sub>3</sub> and 1040 transitions with = 43 for 2ν<sub>3</sub> − ν<sub>3</sub>. About 6000 transitions were assigned to rovibrational levels in the polyad ν<sub>2</sub>/ν<sub>5</sub>/ν<sub>3</sub> + ν<sub>6</sub> with = 63 for ν<sub>2</sub> ( = 1141.457 cm<sup>−1</sup>), = 63 for ν<sub>5</sub> ( = 1157.335 cm<sup>−1</sup>) and = 59 for ν<sub>3</sub> + ν<sub>6</sub> ( = 1208.771 cm<sup>−1</sup>)( = in each case). The resonance interactions between the ν<sub>2</sub>, ν<sub>5</sub> and ν<sub>3</sub> + ν<sub>6</sub> states have been taken into account providing an accurate set of effective hamiltonian parameters, which reproduce the experimental results with an accuracy close to the experimental uncertainties (with a root mean square deviation <i>d</i><sub>rms</sub> = 0.00025 cm<sup>−1</sup>). The analysis is further extended to the ν<sub>4</sub> fundamental ( = 1377.847 cm<sup>−1</sup>) interacting with 2ν<sub>3</sub> ( = 1399.394 cm<sup>−1</sup>). The results are discussed in relation to the importance of understanding the spectra of CHF<sub>3</sub> as a greenhouse gas and as part of our large effort to measure and understand the complete spectrum of CHF<sub>3</sub> from the far-infrared to the near-infrared as a prototype for intramolecular quantum dynamics and rovibrational energy redistribution.
DOI: 10.6084/m9.figshare.6016325
title: Raw DIDSON Dataset by Fish Species

description: This dataset contains raw, acoustic DIDSON data collected from an extended surveillance period. Short clips of data that contain fish of known species are also present. This data could be used to create computational fish classification or tracking algorithms for DIDSON data.
DOI: 10.6084/m9.figshare.6016220
title: Raw metagenomic co-assemblies

description: Co-assemblies were done using MetaSpades v3.11.0, and scaffolds were renamed using anvi'o v.4.<br>PHANTASTIC_ICE: ice samples from the Antarctic peninsula in blooming conditions (Summer 2014-2015)<br>PHANTASTIC_RSP: surface water samples from the Ross Sea Polynya in blooming conditions (Summer 2013-2014)<br>PHANTASTIC_AAC: surface water samples from the antarctic circumpolar current between the RSP and Tasmania in blooming conditions (Summer 2013-2014)<br><br>My 2 cents: use the "1000nt" FASTA files to explore genes and functions, and the smaller "2500nt" FASTA files if only interested in genome-resolved metagenomics (e.g., to characterize population genomes). The later was already done using anvi'o v.4 (recovery of 73 MAGs, see second item in the same project). <br>
DOI: 10.6084/m9.figshare.6016220.v1
title: Raw metagenomic co-assemblies

description: Co-assemblies were done using MetaSpades v3.11.0, and scaffolds were renamed using anvi'o v.4.<br>PHANTASTIC_ICE: ice samples from the Antarctic peninsula in blooming conditions (Summer 2014-2015)<br>PHANTASTIC_RSP: surface water samples from the Ross Sea Polynya in blooming conditions (Summer 2013-2014)<br>PHANTASTIC_AAC: surface water samples from the antarctic circumpolar current between the RSP and Tasmania in blooming conditions (Summer 2013-2014)<br><br>My 2 cents: use the "1000nt" FASTA files to explore genes and functions, and the smaller "2500nt" FASTA files if only interested in genome-resolved metagenomics (e.g., to characterize population genomes). The later was already done using anvi'o v.4 (recovery of 73 MAGs, see second item in the same project). <br>
DOI: 10.6084/m9.figshare.6016199
title: Docking of Inhibitors into KAT-II

description: Docking of designed inhibitors JN-01, JN-02, NS-1502, estrogen disulfate, and JN-03.
DOI: 10.6084/m9.figshare.6016199.v1
title: Docking of Inhibitors into KAT-II

description: Docking of designed inhibitors JN-01, JN-02, NS-1502, estrogen disulfate, and JN-03.
DOI: 10.6084/m9.figshare.6016178
title: JN-01 and JN-02 on KAT-I

description: KAT-I (0.5 μg) was incubated at 37 °C for 10 min in a 50 μL reaction mixture containing 50 μM PLP, 5 mM α-ketoglutarate, 5 mM l-kynurenine in PBS, pH 7.4, with the inhibitor being studied (1–2000 μM). Equal volume of formic acid (0.8M) was added to terminate the reaction, and 50 uL of this mixture was diluted to 1 mL. Kynurenine and KYNA produced during the reaction was analyzed by HPLC using a C18 reverse-phase column, with 50% (<i>v</i>/<i>v</i>) methanol and 50% (<i>v</i>/<i>v</i>) water used as the mobile phase. Kynurenine and KYNA were detection by UV detection at a wavelength of 330 nm.
DOI: 10.6084/m9.figshare.6016178.v1
title: JN-01 and JN-02 on KAT-I

description: KAT-I (0.5 μg) was incubated at 37 °C for 10 min in a 50 μL reaction mixture containing 50 μM PLP, 5 mM α-ketoglutarate, 5 mM l-kynurenine in PBS, pH 7.4, with the inhibitor being studied (1–2000 μM). Equal volume of formic acid (0.8M) was added to terminate the reaction, and 50 uL of this mixture was diluted to 1 mL. Kynurenine and KYNA produced during the reaction was analyzed by HPLC using a C18 reverse-phase column, with 50% (<i>v</i>/<i>v</i>) methanol and 50% (<i>v</i>/<i>v</i>) water used as the mobile phase. Kynurenine and KYNA were detection by UV detection at a wavelength of 330 nm.
DOI: 10.6084/m9.figshare.6016175
title: HPLC JN-02 KAT-II IC50

description: KAT-II (0.5 μg) was incubated at 37 °C for 10 min in a 50 μL reaction mixture containing 50 μM PLP, 5 mM α-ketoglutarate, 5 mM l-kynurenine in PBS, pH 7.4, with the inhibitor being studied (1–2000 μM). Equal volume of formic acid (0.8M) was added to terminate the reaction, and 50 uL of this mixture was diluted to 1 mL. Kynurenine and KYNA produced during the reaction was analyzed by HPLC using a C18 reverse-phase column, with 50% (<i>v</i>/<i>v</i>) methanol and 50% (<i>v</i>/<i>v</i>) water used as the mobile phase. Kynurenine and KYNA were detection by UV detection at a wavelength of 330 nm.<br>