cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14260091.v2
title: Xiao et al. The data of AoBP paper "Divergence of stem biomechanics and hydraulics between Bauhinia lianas and trees"

description: Liana abundance and biomass are increasing in neotropical and Asian tropical seasonal forests over the past decades. Stem mechanical properties and hydraulic traits influence the growth and survival of plants, yet the differences in stem mechanical and hydraulic performance between congeneric lianas and trees remain poorly understood. Here, we measured 11 stem mechanical and hydraulic traits for 10 liana species and 10 tree species from Bauhinia grown in a tropical common garden. Our results showed that Bauhinia lianas possessed lower stem mechanical strength as indicated by both modulus of elasticity and modulus of rupture, and higher stem potential hydraulic conductivity than congeneric trees. Such divergence was mainly attributed to the differentiation in liana and tree life forms. Whether the phylogenetic effect was considered or not, mechanical strength was positively correlated with wood density, vessel conduit wall reinforcement and sapwood content across species. Results of principle component analysis showed that traits related to mechanical safety and hydraulic efficiency were loaded in the opposite direction, suggesting a trade-off between biomechanics and hydraulics. Our results provide evidence for obvious differentiation in mechanical demand and hydraulic efficiency between congeneric lianas and trees.
DOI: 10.6084/m9.figshare.14260091.v1
title: Xiao et al. data of AoB paper "Divergence of stem biomechanics and hydraulics between Bauhinia lianas and trees"

description: Liana abundance and biomass are increasing in neotropical and Asian tropical seasonal forests over the past decades. Stem mechanical properties and hydraulic traits influence the growth and survival of plants, yet the differences in stem mechanical and hydraulic performance between congeneric lianas and trees remain poorly understood. Here, we measured 11 stem mechanical and hydraulic traits for 10 liana species and 10 tree species from Bauhinia grown in a tropical common garden. Our results showed that Bauhinia lianas possessed lower stem mechanical strength as indicated by both modulus of elasticity and modulus of rupture, and higher stem potential hydraulic conductivity than congeneric trees. Such divergence was mainly attributed to the differentiation in liana and tree life forms. Whether the phylogenetic effect was considered or not, mechanical strength was positively correlated with wood density, vessel conduit wall reinforcement and sapwood content across species. Results of principle component analysis showed that traits related to mechanical safety and hydraulic efficiency were loaded in the opposite direction, suggesting a trade-off between biomechanics and hydraulics. Our results provide evidence for obvious differentiation in mechanical demand and hydraulic efficiency between congeneric lianas and trees.
DOI: 10.25625/wrxo2o/9lwhsh
title: Source_Data_File.xlsx

description: data used for the figures in the main text
DOI: 10.25625/wrxo2o
title: Source Data File

description: source data which support the results presented in the corresponding publication, as an Excel spreadsheet, one page per figure
DOI: 10.5281/zenodo.3936024
title: IODP Expedition 301, Hole U1301B - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 301: Juan de Fuca Hydrogeology
DOI: 10.5281/zenodo.3936023
title: IODP Expedition 301, Hole U1301B - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 301: Juan de Fuca Hydrogeology
DOI: 10.48483/lg/pq18g9
title: Immunization Data Absolutes_Jan_2021

description: Data on immunization assessments and on children whose immunization status is up-to-date. The data also covers immunization referrals done for the given month and the number of clients who managed to complete a referral i.e. go to the health facility and get vaccinated.
DOI: 10.48483/lg/2nyofz
title: Living Goods - Results Based Financing Performance metrics for Quarter 1 2021

description: This data sets contains data elements for the RBF payment metrics for the quarter 1 of the project. The metrics include key payment domains family planning, immunization, under-five assessments, under-five referral follow ups, post natal care visits, facility deliveries, antenatal care visits, and pregnancy visits. The RBF quarter 1 runs from October 01 2020 to January 07, 2021. The data is for 4 branches (Masaka, Kyotera, Mafubira and Lira) that are participating in phase 1 of the scale up project.
DOI: 10.5281/zenodo.3939390
title: IODP Expedition 303, Hole U1305C - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 303: North Atlantic Climate 1
DOI: 10.5281/zenodo.3939389
title: IODP Expedition 303, Hole U1305C - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 303: North Atlantic Climate 1
DOI: 10.6084/m9.figshare.14260229
title: FOB microscopy - PDMS beads embedded in PAA

description: Fluorescence, optical diffraction tomography and Brillouin microscopy data of a PDMS bead embedded in a PAA bead.<br>
DOI: 10.6084/m9.figshare.14260229.v2
title: FOB microscopy - PDMS beads embedded in PAA

description: Fluorescence, optical diffraction tomography and Brillouin microscopy data of a PDMS bead embedded in a PAA bead.<br>
DOI: 10.6084/m9.figshare.14260229.v1
title: 2019-04-18_Phantom.zip

description: Fluorescence, optical diffraction tomography and Brillouin microscopy data of a PDMS bead embedded in a PAA bead.<br>
DOI: 10.6084/m9.figshare.12859753.v1
title: Tube-shaped molecular structures built from acylphloroglucinols: an <i>ab initio</i> and DFT study

description: Molecular structures containing a cavity encounter a variety of applications, from hosts to ions or to smaller molecules to building units for nanomaterials. Previous computational studies of bowl-shaped structures built from acylphloroglucinol (ACPL) units had shown that ACPLs can form the deepest cavities among hydroxybenzenes. The current work considers tube-shaped structures built from ACPL units. To ensure that the two rims have equal size, the orientations of the even-number units are alternated, so that each rim contains alternating RCO and OH-only groups from neighbouring units. Tubes with 4 and 6 units and different R chains have been calculated at the HF/6-31G(d,p) and DFT/B3LYP/6-31+G(d,p) levels. In each rim, the space between two consecutive RCO groups contains three consecutive intramolecular hydrogen bonds (IHBs). The computable properties of the calculated tubes are analysed in detail, with particular attention to the tubes’ geometric features (including the size of the hollow inner part) and to the characteristics and roles of the IHBs. It is inferred that the characteristics of these tubes (including the tight texture of their ‘walls’, the electron-richness of their cavities, and the possibility of expanding their size through the addition of more monomeric units) suggest potential interest for practical applications.
DOI: 10.6084/m9.figshare.12859753
title: Tube-shaped molecular structures built from acylphloroglucinols: an <i>ab initio</i> and DFT study

description: Molecular structures containing a cavity encounter a variety of applications, from hosts to ions or to smaller molecules to building units for nanomaterials. Previous computational studies of bowl-shaped structures built from acylphloroglucinol (ACPL) units had shown that ACPLs can form the deepest cavities among hydroxybenzenes. The current work considers tube-shaped structures built from ACPL units. To ensure that the two rims have equal size, the orientations of the even-number units are alternated, so that each rim contains alternating RCO and OH-only groups from neighbouring units. Tubes with 4 and 6 units and different R chains have been calculated at the HF/6-31G(d,p) and DFT/B3LYP/6-31+G(d,p) levels. In each rim, the space between two consecutive RCO groups contains three consecutive intramolecular hydrogen bonds (IHBs). The computable properties of the calculated tubes are analysed in detail, with particular attention to the tubes’ geometric features (including the size of the hollow inner part) and to the characteristics and roles of the IHBs. It is inferred that the characteristics of these tubes (including the tight texture of their ‘walls’, the electron-richness of their cavities, and the possibility of expanding their size through the addition of more monomeric units) suggest potential interest for practical applications.
DOI: 10.6084/m9.figshare.12435017
title: Low-lying electronic terms of diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au)

description: Low-lying electronic terms of 24 heteronuclear diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au) have been systematically studied. Scalar relativistic effects were included by use of the spin-free Douglas–Kroll–Hess (DKH) Hamiltonian. The complete active space self-consistent field (CASSCF) method, followed by multi-reference configuration interaction (MRCI), was used to construct full potential energy curves (PECs). Spectroscopic constants as well as dipole moments are also reported. Spin-orbit coupling was subsequently calculated perturbatively <i>via</i> the spin-orbit terms of the Breit–Pauli Hamiltonian based on the CASSCF wavefunctions. Full spin-orbit coupled PECs were thus constructed for the low-lying terms of NiCu and NiAg. In addition, Kramers-restricted configuration interaction (KRCI) with the exact 2-component (X2C) Hamiltonian was utilised for the atoms and for the Cu-containing diatomic molecules. The influence of relativistic effects, spin-orbit coupling, core correlation effects and basis set incompleteness was probed for some selected cases. It is shown that for 23 out of the 24 diatomic molecules considered here a direct correspondence exists between the ground state terms (GSTs) of the monocations A+((3d4s)m−12S+1LJ,m=3(Sc)−10(Ni)) and those of the diatomic molecules AB((σσσπδ)m+1X2S′+1ΛΩ) with S′=S, Λ=L and Ω=J.
DOI: 10.6084/m9.figshare.12435017.v3
title: Low-lying electronic terms of diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au)

description: Low-lying electronic terms of 24 heteronuclear diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au) have been systematically studied. Scalar relativistic effects were included by use of the spin-free Douglas–Kroll–Hess (DKH) Hamiltonian. The complete active space self-consistent field (CASSCF) method, followed by multi-reference configuration interaction (MRCI), was used to construct full potential energy curves (PECs). Spectroscopic constants as well as dipole moments are also reported. Spin-orbit coupling was subsequently calculated perturbatively <i>via</i> the spin-orbit terms of the Breit–Pauli Hamiltonian based on the CASSCF wavefunctions. Full spin-orbit coupled PECs were thus constructed for the low-lying terms of NiCu and NiAg. In addition, Kramers-restricted configuration interaction (KRCI) with the exact 2-component (X2C) Hamiltonian was utilised for the atoms and for the Cu-containing diatomic molecules. The influence of relativistic effects, spin-orbit coupling, core correlation effects and basis set incompleteness was probed for some selected cases. It is shown that for 23 out of the 24 diatomic molecules considered here a direct correspondence exists between the ground state terms (GSTs) of the monocations A+((3d4s)m−12S+1LJ,m=3(Sc)−10(Ni)) and those of the diatomic molecules AB((σσσπδ)m+1X2S′+1ΛΩ) with S′=S, Λ=L and Ω=J.
DOI: 10.6084/m9.figshare.12435017.v2
title: Low-lying electronic terms of diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au)

description: Low-lying electronic terms of 24 heteronuclear diatomic molecules <i>AB</i> (<i>A</i> = Sc–Ni, <i>B</i> = Cu/Ag/Au) have been systematically studied. Scalar relativistic effects were included by use of the spin-free Douglas–Kroll–Hess (DKH) Hamiltonian. The complete active space self-consistent field (CASSCF) method, followed by multi-reference configuration interaction (MRCI), was used to construct full potential energy curves (PECs). Spectroscopic constants as well as dipole moments are also reported. Spin-orbit coupling was subsequently calculated perturbatively <i>via</i> the spin-orbit terms of the Breit–Pauli Hamiltonian based on the CASSCF wavefunctions. Full spin-orbit coupled PECs were thus constructed for the low-lying terms of NiCu and NiAg. In addition, Kramers-restricted configuration interaction (KRCI) with the exact 2-component (X2C) Hamiltonian was utilised for the atoms and for the Cu-containing diatomic molecules. The influence of relativistic effects, spin-orbit coupling, core correlation effects and basis set incompleteness was probed for some selected cases. It is shown that for 23 out of the 24 diatomic molecules considered here a direct correspondence exists between the ground state terms (GSTs) of the monocations A+((3d4s)m−12S+1LJ,m=3(Sc)−10(Ni)) and those of the diatomic molecules AB((σσσπδ)m+1X2S′+1ΛΩ) with S′=S, Λ=L and Ω=J.
DOI: 10.5281/zenodo.3939451
title: IODP Expedition 304, Hole U1309B - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 304: Atlantis Massif Oceanic Core Complex 1
DOI: 10.5281/zenodo.3939450
title: IODP Expedition 304, Hole U1309B - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 304: Atlantis Massif Oceanic Core Complex 1
DOI: 10.5281/zenodo.3939428
title: IODP Expedition 304, Hole U1309D - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 304: Atlantis Massif Oceanic Core Complex 1
DOI: 10.5281/zenodo.3939427
title: IODP Expedition 304, Hole U1309D - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 304: Atlantis Massif Oceanic Core Complex 1
DOI: 10.5281/zenodo.3939402
title: IODP Expedition 305, Hole U1309D - Well Logging Data

description: Logging data are measurements of physical properties of the formation surrounding a borehole, acquired in situ after completion of coring (wireline logging) or during drilling (Logging-While-Drilling, LWD). The range of data (resistivity, gamma radiation, velocity, density, borehole images,…) in any hole depends on the scientific objectives and operational constraints.
description: IODP Expedition 305: Atlantis Massif Oceanic Core Complex 2
DOI: 10.17632/txzzw9n7xs.2
title: ELS_NBI_Classification_Validation_Dataset

description: Validation of the European Laryngological Society classification of glottic vascular changes as seen by Narrow Band Imaging in the optical biopsy setting Abstract Purpose In 2016, the European Laryngological Society (ELS) proposed a classification for vascular changes occurring in glottic lesions as visible by Narrow Band Imaging (NBI), based on the dichotomic distinction between longitudinal vessels (not suspicious) and perpendicular ones (suspicious). The aim of our study was to validate this classification assessing the interobserver agreement and diagnostic test performance in detecting the final histopathology. Methods A retrospective study was carried out by reviewing clinical charts, preoperative videos, and final pathologic diagnosis of patients submitted to transoral microsurgery for laryngeal lesions in two Italian referral centers. In each institution, two physicians, independently re-assessed each case applying the ELS classification. Results The cohort was composed of 707 patients. The pathologic report showed benign lesions in 208 (29.5%) cases, papillomatosis in 34 (4.8%), squamous intraepithelial neoplasia (SIN) up to carcinoma in situ in 200 (28.2%), and squamous cell carcinoma (SCC) in 265 (37.5%). The interobserver agreement was extremely high in both institutions (k=0.954, p&lt;0.001 and k=0.880, p&lt;0.001). Considering the diagnostic performance for identification of at least SIN or SCC, the sensitivity was 0.804 and 0.902, the specificity 0.793 and 0.581, the positive predictive value 0.882 and 0.564, and the negative predictive value 0.678 and 0.908, respectively. Conclusions The ELS classification for NBI vascular changes of glottic lesions is a highly reliable tool whose systematic use allows a better diagnostic evaluation of suspicious laryngeal lesions, reliably distinguishing benign ones from those with a diagnosis of papillomatosis, SIN or SCC, thus paving the way towards confirmation of the optical biopsy concept.
DOI: 10.17632/sx9gj2mhhm.1
title: Mixing enhancement mechanisms in aquifers affected by hydropeaking: Insights from flow-through laboratory experiments

description: In this study, we performed flow-through experiments to investigate transport processes in a laboratory setup mimicking an aquifer affected by hydropeaking. We performed five flow-through experiments: steady flow experiment, steady flow experiment with river system by keeping the head of both rivers equal to the groundwater table, and finally three transient flow experiments (that will be described in the texts as transient flow 1, transient flow 2 and transient flow 3) considering two time series of fluctuating river heads. We performed high-resolution image analysis, and depth-resolved, high-frequency sampling at the outlet of the flow-through chamber to monitor the evolution and the breakthrough of the tracer plume in the porous medium. The dataset contains: 1. The tracer concentration normalized by the initial concentration at the outlet of the flow-through chamber obtained from the optical analysis for the five experiments. 2. The tracer concentration normalized by the initial concentration obtained from the spectrophotometric analysis of the samples collected at the outlet of the flow-through chamber for the five experiments. 3. The results of the second central spatial moments of the solute distribution (cm2), dilution index (cm3) and flux-related dilution index (cm3/min) for the five experiments.
DOI: 10.17632/cgkt7pxj2n.1
title: Application of HPMCAS-coated Ctx(Ile21)-Ha peptide microparticles as a potential use to prevent systemic infection caused by Salmonella Enteritidis in poultry
DOI: 10.17632/84zypvmn2b.3
title: Dataset for "To denoise or to cluster? That is not the question. Optimizing pipelines for COI metabarcoding and metaphylogeography"

description: This dataset contains the relevant files for a study optimizing and combining denoising and clustering algorithms for COI metabarcoding. The abstract is: Background. The recent blooming of metabarcoding applications to biodiversity studies comes with some relevant methodological debates. One such issue concerns the treatment of reads by denoising or by clustering methods, which have been wrongly presented as alternatives. It has also been suggested that denoised sequence variants should replace clusters as the basic unit of metabarcoding analyses, missing the fact that sequence clusters are a proxy for species-level entities, the basic unit in biodiversity studies. We argue here that methods developed and tested for ribosomal markers have been uncritically applied to highly variable markers such as cytochrome oxidase I (COI) without conceptual or operational (e.g., parameter setting) adjustment. COI has a naturally high intraspecies variability that should be assessed and reported, as it is a source of highly valuable information. We contend that denoising and clustering are not alternatives. Rather, they are complementary and both should be used together in COI metabarcoding pipelines. Results. Using a COI dataset from benthic marine communities, we compared two denoising procedures (based on the UNOISE3 and the DADA2 algorithms), set suitable parameters for denoising and clustering, and applied these steps in different orders. Our results indicated that the UNOISE3 algorithm preserved a higher intra-cluster variability. We introduce the program DnoisE to implement the UNOISE3 algorithm taking into account the natural variability (measured as entropy) of each codon position in protein-coding genes. DnoisE retained 88% more sequences than UNOISE3. The order of the steps (denoising and clustering) had little influence on the final outcome. Conclusions. We highlight the need for combining denoising and clustering, with adequate choice of stringency parameters, in COI metabarcoding. We present a program that uses the coding properties of this marker to improve the denoising step. We recommend researchers to report their results in terms of both denoised sequences (a proxy for haplotypes) and clusters formed (a proxy for species), and to avoid collapsing the sequences of the latter into a single representative. This will allow studies at the cluster (ideally equating species-level diversity) and at the intra-cluster level, and will ease additivity and comparability between studies. Keywords: metabarcoding, metaphylogeography, COI, denoising, clustering, Operational Taxonomic Units.
DOI: 10.17632/prvft3d63z.1
title: Questionnaire on medication adherence UAE

description: Questionnaire on medication adherence UAE for the article titled "Medication Adherence in Type 2 Diabetes Mellitus Patients during Covid-19 Pandemic: An Investigational Study from the United Arab Emirates"
DOI: 10.17632/4ttbwnsf6z.2
title: Szojka et al_PLOS ONE 2020 Submission

description: Alldata