cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2q16yy
title: CCDC 2503620: Experimental Crystal Structure Determination

description: Related Article: Ruwandhi Jayasundara, Lakshani W. Kulathungage, Benjamin J. Baillie, Cassandra L. Ward, Richard L. Lord, Stanislav Groysman|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05470
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2q16zz
title: CCDC 2503621: Experimental Crystal Structure Determination

description: Related Article: Ruwandhi Jayasundara, Lakshani W. Kulathungage, Benjamin J. Baillie, Cassandra L. Ward, Richard L. Lord, Stanislav Groysman|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05470
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2q1701
title: CCDC 2503622: Experimental Crystal Structure Determination

description: Related Article: Ruwandhi Jayasundara, Lakshani W. Kulathungage, Benjamin J. Baillie, Cassandra L. Ward, Richard L. Lord, Stanislav Groysman|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05470
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25338/b83m0m
title: Optical extinction coefficients for some atmospherically relevant compounds in water

description: This dataset reports the Ultraviolet visible optical extinction
 coefficients for multiple atmospherically-relevant compounds. Following
 Beer's law  (A = e*l*C, where A is absorbance, e is the
 extinction coefficient, l is the pathlength of the optical measurement,
 and C is the concentration of the compound in solution), we report
 "e" in units of M-1 cm-1. The data were taken in pure water.
 Spectra for organic acids are reported at two pH (2 and 5).
description: The data were taken with a UV-Vis spectrophotometer. Extinction
 coefficients are calculated based on the measured absorbances, pathlength,
 and the known concentrations of the solution.
DOI: 10.7941/d1k62r
title: Data for: Multifunctional landscapes for dedicated bioenergy crops lead to low-carbon market-competitive biofuels

description: Switchgrass is a promising feedstock for cellulosic biorefineries, due to
 its ability to maintain comparatively high biomass yields across a wide
 range of soil and climatic conditions. However, there is an incomplete
 understanding of the economic and environmental tradeoffs associated with
 cultivating switchgrass on low-productivity land for conversion to
 biofuels. This study surveys prior literature and demonstrates a new
 integrated assessment framework, including agroecological, ecosystem
 services valuation, technoeconomic, and life-cycle assessment models, to
 quantify and contextualize the economic and environmental impacts of
 switchgrass cultivation on marginal land with downstream conversion to
 biofuels. Monetizing and incorporating the value of ecosystem services,
 such as improved water quality benefits from nitrate and sediment
 reductions, climate change mitigation benefits from CO2 emission
 reduction, and recreational and pollination benefits from increased
 biodiversity, the modeled multifunctional landscape reduces the ethanol
 production cost by 33.3–58.9 cents/L-gasoline-equivalent ($1.3–2.2/gge).
 Planting switchgrass in low-productivity land improves soil health,
 resulting in the carbon footprint reduction credit of 12.8–20.2 gCO2e/MJ.
 For an improved switchgrass-to-ethanol conversion pathway with the maximum
 benefits from ecosystem services, the minimum ethanol selling price and
 carbon footprint of ethanol, respectively, could reach to 31
 cents/L-gasoline-equivalent (47% reduction relative to average gasoline
 price) and 3 gCO2e/MJ (97% reduction relative to gasoline). This
 low-carbon renewable ethanol leads to substantial State and/or Federal
 policy incentives (~$1/L-gasoline-equivalent) providing a large benefit to
 biorefinery operators, farmers, and the public as a whole.
DOI: 10.5061/dryad.jsxksn0ct
title: Development of volatility distributions for organic matter in biomass burning emissions

description: We present a novel filter-in-tube sorbent tube method to collect S/I-VOC
 samples from a range of biomass burning experiments and find that
 volatility distributions are relatively consistent with prior findings and
 across the tested combustion types.
description: Filter-in-tube samples were analyzed using thermal desorption-gas
 chromatography-mass spectrometry (TD/GC/MS) for compounds across a wide
 range of volatilities (saturation concentration ). The S/I-VOC
 measurements were used to calculate volatility distributions for each
 emissions source.
DOI: 10.5061/dryad.2bvq83bt4
title: Data from: Human food subsidies drive individual specialization and intrapopulation dietary differences in a generalist predator

description: Generalist species can exhibit individual specialization (IS), where
 individuals adopt specialized foraging behaviors not attributable to age,
 sex, or social dominance. While IS increases with the diversity of
 available foraging resources (ecological opportunity), the potential
 impact of human food subsidies on ecological opportunity is unknown. We
 quantified the isotopic niche width of Steller’s Jays (Cyanocitta
 stelleri), a synanthropic predator and dietary generalist, across a
 gradient of human land-use categories ranging from subsidized (park
 campgrounds) to unsubsidized (forest interior) habitats in a protected
 area in California. We asked (1) if isotopic niche width was better
 predicted by individual foraging behavior than sex, social dominance, or
 habitat category (indicating IS) and (2) if degree of IS exhibited by jays
 increased with the availability of human food subsidies. We characterized
 the isotopic niche space occupied by individual jays relative to the
 population using carbon (δ13C) and nitrogen (δ15N) isotope values. Using
 linear models, we found that jay diet variation was best explained by
 individual behavior and habitat use rather than by sex or social
 dominance. While degree of IS increased with the availability of human
 foods, individual jays exhibited a variety of foraging behaviors in all
 habitats that were segregated by foraging stratum and use of human foods.
 Individual diet also determined the degree of specialization, as jays that
 specialized on human foods had the narrowest niche width regardless of
 habitat. Management efforts targeted at generalist wildlife exhibiting
 large degrees of IS should therefore account for the impact of food
 subsidies on foraging behavior. Approaches that involve aversive
 conditioning may fail where highly-specialized individuals are unlikely to
 encounter treatments, therefore we recommend simultaneous efforts to limit
 human food subsidies (e.g., information campaigns and improved containment
 of human food and food waste), and deployment across the largest possible
 extent of foraging microhabitats and substrates in order to ensure
 exposure of whole populations to emetic eggs.
DOI: 10.5061/dryad.hhmgqnkk2
title: Warming and grazing independently and interactively impact plant defenses and palatability

description: The ecological impacts of multiple stressors are hard to predict but
 important to understand. When multiple stressors influence foundation
 species, the effects can cascade throughout the ecosystem. Gulf of Mexico
 seagrass ecosystems are currently experiencing a suite of novel stressors,
 including warmer water temperatures and increased herbivory due to
 tropicalization and conservation efforts. We investigated the impact of
 warming temperatures and grazing history on plant performance, morphology,
 and palatability by integrating a mesocosm study using the seagrass
 Thalassia testudinum with feeding trials using the sea urchin Lytechinus
 variegatus. Warming temperatures negatively impacted T. testudinum
 tolerance traits, reducing belowground biomass by 34%, productivity by
 74%, shoot density by 10%, and the number of leaves per plant by 24%, and
 negatively impacted resistance traits through 13% lower toughness of young
 leaves and a trend for reduced leaf carbon:nitrogen. Lytechinus variegatus
 individuals preferred to consume plants grown under heated conditions,
 which supports findings of enhanced palatability. Simulated turtle grazing
 impacted more plant traits than grazing by other herbivores, potentially
 diminishing plant resilience to future disturbances through reduced
 rhizome non-structural carbohydrate concentrations and increasing
 palatability through reduced fiber content and 23% lower leaf
 carbon:phosphorus. Simulated turtle, simulated parrotfish, and urchin
 grazing reduced leaf carbon:nitrogen by 11%, also potentially increasing
 nutritive value. Interactions between warming temperatures and grazers on
 plant traits were additive for 16 out of 19 response variables. However,
 the stressors non-additively impacted the number of leaves per plant,
 fiber content, and epiphyte load. We suggest that the impacts of grazers
 on leaf turnover rate and leaf age may vary based on water temperature,
 potentially driving these interactions. Overall, increased temperatures
 and grazing pressure will likely reduce seagrass resilience, structure,
 and biomass, potentially impacting feedback systems and producing negative
 consequences for seagrass cover, associated species, and ecosystem
 services.
DOI: 10.5061/dryad.dfn2z354z
title: A cryopreservation method to recover laboratory- and field-derived bacterial communities from mosquito larval habitats

description: Mosquitoes develop in a wide range of aquatic habitats containing highly
 diverse and variable bacterial communities that shape both larval and
 adult traits, including the capacity of adult females of some mosquito
 species to vector disease-causing organisms to humans. However, while most
 mosquito studies control for host genotype and environmental conditions,
 the impact of microbiota variation on phenotypic outcomes of mosquitoes is
 often unaccounted for. The inability to conduct reproducible intra- and
 inter-laboratory studies of mosquito-microbiota interactions has also
 greatly limited our ability to identify microbial targets for
 mosquito-borne disease control. Here, we developed an approach to isolate
 and cryopreserve bacterial communities derived from lab- and field-based
 larval-rearing environments of the yellow fever mosquito Aedes aegypti–a
 primary vector of dengue, Zika, and chikungunya viruses. We then validated
 the use of our approach to generate experimental microcosms colonized by
 standardized lab- and field-derived bacterial communities. Our results
 overall reveal minimal effects of cryopreservation on the recovery of both
 lab- and field-derived bacteria when directly compared with isolation from
 non-cryopreserved fresh material. Our results also reveal improved
 reproducibility of bacterial communities in replicate microcosms generated
 using cryopreserved stocks over fresh material. Communities in replicate
 microcosms further captured the majority of total bacterial diversity
 present in both lab- and field-based larval environments, although the
 relative richness of recovered taxa as compared to non-recovered taxa was
 substantially lower in microcosms containing field-derived bacteria.
 Altogether, these results provide a critical next step toward the
 standardization of mosquito studies to include larval-rearing environments
 colonized by defined microbial communities. They also lay the foundation
 for long-term studies of mosquito-microbe interactions and the
 identification and manipulation of taxa with potential to reduce mosquito
 vectorial capacity.
DOI: 10.5061/dryad.612jm6465
title: Global-scale modeling of early factors and country-specific trajectories of COVID-19 incidence: a cross-sectional study of the first 6 months of the pandemic

description: Studies examining factors responsible for COVID-19 incidence are mostly
 focused at the national or sub-national level. A global-level
 characterization of contributing factors and temporal trajectories of
 disease incidence is lacking. Here we conducted a global-scale analysis of
 COVID-19 infections to identify key factors associated with early disease
 incidence. Additionally, we compared longitudinal trends of COVID-19
 incidence at a per-country level and classified countries based on
 COVID-19 incidence trajectories and effects of lockdown responses.
 Univariate analysis identified eleven variables as independently
 associated with COVID-19 infections at a global level (p&lt;1e-05).
 Multivariable analysis identified a 4-variable model as optimal for
 explaining global variations in COVID-19 (p&lt;0.01). COVID-19 case
 trajectories for most countries were best captured by a log-logistic
 model, as determined by AIC estimates. Six predominant country clusters
 were identified when characterizing the effects of lockdown intervals on
 variations in COVID-19 new cases per country. Globally, economic and
 meteorological factors are important determinants of early COVID-19
 incidence. Analysis of longitudinal trends and lockdown effects on
 COVID-19 highlights important nuances in country-specific responses to
 infections. These results provide valuable insights into disease incidence
 at a per-country level, possibly allowing for more informed decision
 making by individual governments in future disease outbreaks.
description: Data for COVID-19 confirmed
 cases was obtained from
 https://ourworldindata.org/coronavirus-source-data, which is updated daily
 and based on data on confirmed cases and deaths from Johns Hopkins
 University. Data on additional demographic, meteorological, health or
 economic variables were downloaded from a variety of sources online. For
 each variable, values from the most recent year for which data on the
 greatest number of countries were available were utilized (varied between
 2016-2019). Variables were categorized as Demographic, Meterological,
 Health or Economic domains. Please see
 the README document ("README_data_COVID19_112322.txt") and the
 accompanying published article: Ghosh, S., Roy, S.S. Global-scale modeling
 of early factors and country-specific trajectories of COVID-19 incidence:
 a cross-sectional study of the first 6 months of the pandemic.
 <em>BMC Public Health</em> <strong>22</strong>,
 1919 (2022). https://doi.org/10.1186/s12889-022-14336-w
description: Any software capable of opening Microsoft Excel files will be
 adequate.
DOI: 10.5061/dryad.bvq83bkcd
title: Diet analysis of David’s deer (Elaphurus davidianus) based on stable isotope analysis

description: Supplemental feed for free-ranging deer is often advocated by managers to
 compensate for winter survival. However, providing extra food has great
 costs so it is important to know how essential supplemental feed is for
 deer populations. In our study, supplemental feed is supplied year round
 for free-ranging Père David’s deer (Elaphurus davidianus) since
 early 2019 to help them survive food shortages in the Jiangsu Dafeng Milu
 National Nature Reserve. To understand use of supplemental feed, we
 quantified the biomass contributions of C3 plants, C4 plants, and
 supplemental feed consumed by free-ranging deer by assessing their faecal
 carbon and nitrogen stable isotope values in May, July, October and
 December. The diet-faeces trophic shift of deer was assessed using
 semi-captive animals. Faeces in both areas were collected and faecal δ13C
 values revealed more variable diets of free-ranging deer than semi-captive
 deer in different months. MixSIAR model showed that C4 plants contributed
 greatly to deer diet biomass (75.1%, 82%, 64.3%,79.4%, respectively in
 May, July, October and December) compared with C3 plants and supplemental
 feed. We suggest that managers should consider the efficiency of long-term
 supplemental feed and consider the selection of C3 and C4 plants during
 restoration.
DOI: 10.5281/zenodo.18374885
title: Synthetic Images Flood Scenario

description: Synthetic RGB image dataset depicting 766 images of floods in varied scenarios generated with AI methods. This data can be used to train/evaluate flood segmentation models on RGB images.

FloodsScenarios/├── images/                       (image_00001_.jpg → image_00766_.jpg)├── annotated_images/    (image_00001_.png → image_00766_.png)└── annotated_masks/      (image_00001_.png → image_00766_.png)
DOI: 10.5061/dryad.dfn2z3550
title: Microstructural and crystallographic evolution of palaeognath (Aves) eggshells

description: The avian palaeognath phylogeny has been recently revised significantly
 due to the advancement of genome-wide comparative analyses and provides
 the opportunity to trace the evolution of the microstructure and
 crystallography of modern dinosaur eggshells. Here, eggshells of all major
 clades of Palaeognathae (including extinct taxa) and selected eggshells of
 Neognathae and non-avian dinosaurs are analysed with electron backscatter
 diffraction. Our results show the detailed microstructures and
 crystallographies of (previously) loosely categorized ostrich-, rhea-, and
 tinamou-style morphotypes of palaeognath eggshells. All rhea-style
 eggshell appears homologous, while respective ostrich-style and
 tinamou-style morphotypes are best interpreted as homoplastic morphologies
 (independently acquired). Ancestral state reconstruction and parsimony
 analysis additionally show that rhea-style eggshell represents the
 ancestral state of palaeognath eggshells both in microstructure and
 crystallography. The ornithological and palaeontological implications of
 the current study are not only helpful for the understanding of evolution
 of modern and extinct dinosaur eggshells, but also aid other disciplines
 where palaeognath eggshells provide a useful archive for comparative
 contrasts (e.g. palaeoenvironmental reconstructions, geochronology, and
 zooarchaeology).
DOI: 10.5061/dryad.18931zd0t
title: Data from: Selection on early survival does not explain germination rate clines in Mimulus cardinalis

description: Premise Many traits covary with environmental gradients to form phenotypic
 clines. While local adaptation to the environment can generate phenotypic
 clines, other nonadaptive processes may also. If local adaptation causes
 phenotypic clines, then the direction of genotypic selection on traits
 should shift from one end of the cline to the other. Traditionally
 genotypic selection on non-Gaussian traits like germination rate have been
 hampered because it is challenging to measure their genetic variance.
 Methods Here we used quantitative genetics and reciprocal transplants to
 test whether a previously discovered cline in germination rate showed
 additional signatures of adaptation in the scarlet monkeyflower (Mimulus
 cardinalis). We measured genotypic and population level covariation
 between germination rate and early survival, a component of fitness. We
 developed a novel discrete log-normal model to estimate genetic variance
 in germination rate. Results Contrary to our adaptive hypothesis,
 we found no evidence that genetic variation in germination rate
 contributed to variation in early survival. Across populations, southern
 populations in both gardens germinated earlier and survived
 more.  Conclusions Southern populations have higher
 early survival but this is not caused by faster germination. This pattern
 is consistent with nonadaptive forces driving the phenotypic cline in
 germination rate, but future work will need to assess whether there is
 selection at other life stages. This statistical framework should help
 expand quantitative genetic analyses for other waiting-time traits.
description: We measured the time to germination of <em>Mimulus
 cardinalis </em>seeds grown in the greenhouse and its effect on
 winter survival in field experimental gardens. See the main text for
 further explanation. We removed individuals that did not germinate or were
 suspected of contamination. Data on survival are missing from individuals
 that died because of transplant shock before the first winter.
description: The data are in a tab-delimited format that should work with most
 platforms and software.
DOI: 10.7291/d16d6w
title: The efficacy of selection may increase or decrease with selfing depending upon the recombination environment

description: Much theory has focused on how a population’s selfing rate affects the
 ability of natural selection to remove deleterious mutations from a
 population  However, most such theory has focused on
 mutations of a given dominance and fitness effect in
 isolation. It remains unclear how selfing affects the purging of
 deleterious mutations in a genome-wide context where mutations with
 different selection and dominance coefficients co-segregate. Here, we use
 computer simulations to investigate how mutation, selection and
 recombination interact with selfing rate to shape genome-wide patterns of
 mutation accumulation and fitness.  In addition to recovering
 previously described results for how the selfing rate affects the efficacy
 of selection against mutations of a given dominance class, we also find
 that the interaction of purifying selection against mutations of different
 dominance classes changes with selfing rate. In particular, as outcrossing
 populations transition from purifying selection to pseudo-overdominance,
 they experience a dramatic increase in the genetic load caused by
 additive, mildly deleterious mutations. We describe the threshold selfing
 rate that prevents pseudo-overdominance.
description: This study is based on individual-based forward simulations
 performed in SLiM and on analytic modeling.  Analytic
 models are fully described in the Appendix associated with the
 manuscript. Raw outputs from SLiM were post-processed
 in R with scripts that are in this repository.
description: R