cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h2480
title: CCDC 2295961: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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.cc2h24d4
title: CCDC 2295965: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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.cc2h24f5
title: CCDC 2295966: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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: 10.5061/dryad.c163km7
title: Data from: Polyphyly of Mesadenus (Orchidaceae, Spiranthinae) and a new genus from the Espinhaço Range, Southeastern Brazil

description: Mesadenus displays an odd disjunction, with most species found in the
 southeastern USA, the Caribbean, and Mexico south to El Salvador, and two
 outliers occurring in southeastern Brazil. A recent molecular phylogenetic
 study showed that, as currently delimited, Mesadenus is polyphyletic, and
 further study of this little-known genus is required. Here we assessed
 relationships in Mesadenus and to other genera conducting a cladistic
 parsimony analysis of nucleotide sequences of nuclear (ITS) and plastid
 DNA (matK-trnK, trnL-trnF) for an enlarged sample of taxa, including five
 out of six currently accepted species of Mesadenus and representatives of
 nearly all (36 out of 41) genera of Spiranthinae, plus suitable outgroups.
 Detailed comparison of vegetative and floral attributes of relevant taxa
 was also conducted. Our results confirm polyphyly of Mesadenus and support
 creation of a new genus, Espinhassoa, to include Brazilian ‘Mesadenus’
 glaziovii and ‘M.’ rhombiglossus (as Espinhassoa glaziovii and E.
 rhombiglossa, respectively). An identification key, descriptions, and
 illustrations of the two species herein included in Espinhassoa are
 provided.
description: Concatenated matrix of
 matK-trnK, trnL-trnF and ITS regionsConcatenated matrix of
 aligned nucleotide sequences of the matK-trnK, trnL-trnF and ITS regions
 in NEXUS format, interleaved.Espinhazoa GB reduced comb mesq
 chiangii alin rev para DRYAD.nexSupplemental Figure
 S1FIG. S1. Strict
 consensus of the eight shortest trees found by the combined analysis of
 nuclear (ITS) and plastid (trnK-matK, trnL-trnF) DNA sequences. Numbers
 above branches are bootstrap percentages (&gt;50). One asterisk (*)
 indicates the position of Mesadenus (Espinhassoa) glaziovii and two
 asterisks (**) that of Mesadenus s.s. as redelimited here, plus its sister
 Schiedeella nagelii. Numbers 1–5 in black circles refer to clades
 discussed in the text.
DOI: 10.5517/ccdc.csd.cc2h24g6
title: CCDC 2295967: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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.cc2h24j8
title: CCDC 2295969: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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.cc1q57ty
title: CCDC 1583970: Experimental Crystal Structure Determination

description: Related Article: K. Naresh, B. N. Sivasankar, S. Madhankumar, C. Balakrishnan, M. Prabakaran|2025|Struct.Chem.|25||doi:10.1007/s11224-025-02594-4
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.cc2h2xk2
title: CCDC 2296714: Experimental Crystal Structure Determination

description: Related Article: Kakoli Maji, Angshuman Palai, Dibyendu Mallick, Biplab Maji|2025|Angew.Chem.,Int.Ed.|64|e202424394|doi:10.1002/anie.202424394
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: 10.5061/dryad.s3jd5j6
title: Data from: Vastus lateralis architecture changes during pregnancy - a longitudinal study

description: While the incidence of falls has been described to increase with
 pregnancy, the mechanism behind this is unclear. Pregnancy associated
 changes in lower extremity muscle strength could be a possible factor
 influencing injury risk. Thus, the aim of this longitudinal study was to
 investigate muscle strength and architectural properties of the lower
 limbs in different stages of pregnancy and postpartum. In nineteen
 pregnant women (30±4years) and fifteen non-pregnant controls (28±4years)
 muscle strength and architectural properties of the vastus lateralis
 muscle were assessed combining dynamometry, ultrasound, kinematic and
 electromyographic measurements. Body mass and body composition were
 determined using bioimpedance analysis. In the pregnant women, the
 measurements were conducted in the 16±4th (EP) and 29±4th week of
 pregnancy (LP) as well as in the 32±9th week postpartum (PP). Muscle
 thickness and pennation angle of the fascicles significantly increased at
 LP, while muscle strength remained constant during and after pregnancy.
 Body mass, skeletal muscle mass, fat mass, intracellular and extracellular
 water also peaked at LP. Postpartum values did not differ from the
 controls. Changes in the muscle properties were not related to changes in
 body mass and body composition. Conditions during pregnancy promote
 changes in the vastus lateralis architecture indicating muscle
 hypertrophy. However, pregnancy did not increase muscle strength while
 body mass progressively increases. Therefore, in the event of balance
 perturbations pregnant women may not be able to meet the requirements for
 the increased physical demand.
description: Muscle_data_Bey_Marzilger_Hinkson_Arampatzis_Legerlotz
DOI: 10.5061/dryad.60j13b7
title: Data from: Hospital distance, socioeconomic status, and timely treatment of ischemic stroke

description: Objective: To determine whether lower socioeconomic status (SES) and
 longer home-hospital driving time are associated with reductions in tPA
 administration and timeliness of the treatment. Methods: We conducted a
 retrospective observational study using data from the Get With The
 Guidelines-Stroke Registry (GWTG-Stroke) between January 2015 to March
 2017. The study included 118,683 ischemic stroke patients age ≥18 who were
 transported by EMS to one of 1,489 US hospitals. We defined each patient’s
 SES based on their zip code median household income. We calculated the
 driving time between each patient’s home zip code and the hospital where
 they were treated, using the Google Maps Directions Application Programing
 Interface. The primary outcomes were tPA administration and
 onset-to-arrival time (OTA). Outcomes were analyzed using hierarchical
 multivariable logistic regression models. Results: SES was not associated
 with OTA (p=0.31) or tPA administration (p=0.47), but was associated with
 the secondary outcomes of onset-to-treatment time (p=0.0160) and
 in-hospital mortality (p=0.0037), with higher SES associated with shorter
 OTT and lower in-hospital mortality. Driving time was associated with tPA
 administration (p &lt;0.001) and OTA (p &lt;0.0001), with lower
 odds of tPA (0.83, 0.79-0.88) and longer OTA (1.30, 1.24-1.35) in patients
 with the longest versus shortest driving time quartiles. Lower SES
 quintiles were associated with slightly longer driving time quartiles
 (p=0.0029), but there was no interaction between the SES and driving time
 for either OTA (p=0.1145) or tPA (p=0.6103). Conclusions: Longer driving
 times were associated with lower odds of tPA administration and longer
 OTA, however SES did not modify these associations.
description: NIHSS versus NIHSS
 missingSupplementary Table 1:
 Demographics, baseline characteristics and outcomes by NIHSS
 missing/non-missingSupplementary_Table_1_NIHSS_versus_NIHSS_missing.docx
DOI: 10.5061/dryad.jj72851
title: Data from: Electrospinning repellents in polyvinyl alcohol-nanofibers for obtaining mosquito repelling fabrics

description: Recently, the use of repellents for preventing the transmission of
 mosquito-borne diseases is getting increasingly more attention. However,
 most of the current repellents are volatile in nature and must be
 frequently re-applied as their efficacy is only limited to a short period
 of time. Therefore, a slow release and abrasion resistant mechanism is
 needed for prolonging the protection time of these repellents. This study
 direct micro-encapsulation of repellents from an emulsion or integrating
 already encapsulated repellents into nanofibers via electrospinning.
 Different repellents were electrospun in polyvinyl alcohol (PVA)
 nanofibrous structures, namely p-menthane-3,8-diol (PMD) microcapsules,
 permethrin, chili and catnip oil. The repellents were successfully
 incorporated in the nanofibers and the tensile properties of the resulting
 samples did not have a significant change. This means that the newly
 created textiles will be identical to current PVA nanofibrous textiles
 with the added benefit of being mosquito repellent. Principally, all
 incorporated repellents in the nanofibrous structures showed a
 significantly reduced number of mosquito landings compared to the control.
 Consequently, the currently described method resulted in a new and very
 effective repelling textile material that can be used in the prevention
 against mosquito associated diseases.
description: Repellent data
 (1)The file contains the
 mechanical properties of the samples tested, the scanning electron
 microscopy test thats shows the fiber diameters and the the repellency
 results of the tested samples
DOI: 10.5061/dryad.p2gm5q8
title: Data from: Within-host mathematical modelling of the incubation period of Salmonella Typhi

description: Mechanistic mathematical models are often employed to understand the
 dynamics of infectious diseases within a population or within a host. They
 provide estimates that may not otherwise be available. We have developed a
 within-host mathematical model in order to understand how the
 pathophysiology of Salmonella Typhi contributes to its incubation period.
 The model describes the process of infection from ingestion to onset of
 clinical illness using a set of ordinary differential equations. The model
 was parameterised using estimated values from human and mouse experimental
 studies and the incubation period was estimated as 9.6 days. A sensitivity
 analysis was also conducted to identify the parameters that most affect
 the derived incubation period. The migration of bacteria to the caecal
 lymph node was observed as a major bottle neck for infection. The
 sensitivity analysis indicated the growth rate of bacteria in late phase
 systemic infection and the net population of bacteria in the colon as
 parameters that most influence incubation period. We have shown in this
 study how mathematical models can be used in understanding biological
 processes and estimating parameters of infectious diseases.
description: R script for
 publicationR codes used to develop
 model simulation
DOI: 10.5061/dryad.82p6d2j
title: Data from: Transgenerational and within-generation plasticity shape thermal performance curves

description: Thermal performance curves (TPCs) compute the effects of temperature on
 the performance of ectotherms and are frequently used to predict the
 effect of environmental conditions and currently, climate change, on
 organismal vulnerability and sensitivity. Using Drosophila melanogaster as
 an animal model, we examined how different thermal environments affected
 the shape of the performance curve and their parameters. We measured the
 climbing speed as a measure of locomotor performance in adult flies and
 tested the ontogenetic and transgenerational effects of thermal
 environment on TPC shape. Parents and offspring were reared at 280ºC
 (28C), 28 4ºC (28V), and 300ºC (30C). We found that both, environmental
 thermal variability (28V) and high temperature (30C) experienced during
 early ontogeny shaped the fruit-fly TPC sensitivity. Flies reared at
 variable thermal environments shifted the TPC to the right and increased
 heat tolerance. Flies held at high and constant temperature exhibited
 lower maximum performance than flies reared at the variable thermal
 environment. Furthermore, these effects were extended to the next
 generation. The parental thermal environment had a significative effect on
 TPC and its parameters. Indeed, flies reared at 28V whose parents were
 held at a high and constant temperature (30C) had a lower heat tolerance
 than F1 of flies reared at 28C or 28V. Also, offspring of flies reared at
 variable thermal environment (28V) reached the maximum performance at a
 higher temperature than offspring of flies reared at 28C or 30C.
 Consequently, since TPC parameters are not fixed, we suggest cautiousness
 when using TPCs to predict the impact of climate change on natural
 populations.
description: Thermal performance
 curveOntogenetic and
 Transgenerational effects of temperature on thermal performance curve (and
 parameters) . Offspring and parents were reared in one of three
 environments 28 ± 0ºC (28C), 28 ± 4ºC (28V), and 30 ± 0ºC
 (30C)EcolEvol.xlsx
DOI: 10.5061/dryad.v42h23k
title: Data from: Discovery of potential urine-accessible metabolite biomarkers associated with muscle disease and corticosteroid response in the mdx mouse model for Duchenne

description: Urine is increasingly being considered as a source of biomarker
 development in Duchenne Muscular Dystrophy (DMD), a severe, life-limiting
 disorder that affects approximately 1 in 4500 boys. In this study, we
 considered the mdx mice—a murine model of DMD—to discover biomarkers of
 disease, as well as pharmacodynamic biomarkers responsive to prednisolone,
 a corticosteroid commonly used to treat DMD. Longitudinal urine samples
 were analyzed from male age-matched mdx and wild-type mice randomized to
 prednisolone or vehicle control via liquid chromatography tandem mass
 spectrometry. A large number of metabolites (869 out of 6,334) were found
 to be significantly different between mdx and wild-type mice at baseline
 (Bonferroni-adjusted p-value &lt; 0.05), thus being associated with
 disease status. These included a metabolite with m/z = 357 and creatine,
 which were also reported in a previous human study looking at serum. Novel
 observations in this study included peaks identified as biliverdin and
 hypusine. These four metabolites were significantly higher at baseline in
 the urine of mdx mice compared to wild-type, and significantly changed
 their levels over time after baseline. Creatine and biliverdin levels were
 also different between treated and control groups, but for creatine this
 may have been driven by an imbalance at baseline. In conclusion, our study
 reports a number of biomarkers, both known and novel, which may be related
 to either the mechanisms of muscle injury in DMD or prednisolone
 treatment.
description: R code to process files
 with XCMSCode to process CDF
 files in NEG and POS directories0.process_with_XCMS.RR code using CAMERA to annotate XCMS resultsRun this code after 0.process_with_XCMS.R0_1.process_CAMERA.RSample annotations for the CDF files in POS and NEG directoriesSample Annotation_Urine Samples.xlsxCDF files for the negative modeCDF files for the LC-MS analysis, for the negative mode, described in Sample Annotation_Urine Samples.xlsx, which are processed by running the code in 0.process_with_XCMS.R, followed by 0_1.process_CAMERA.R.NEG.7zCDF files for the positive modeCDF files for the LC-MS analysis, for the positive mode, described in Sample Annotation_Urine Samples.xlsx, which are processed by running the code in 0.process_with_XCMS.R, followed by 0_1.process_CAMERA.R.POS.7zRaw data from LC-MS/MS validation experimentsZipped directory containing the raw data from the LC-MS/MS validations, with the samples described in sample annotation.xlsx.Validations.7z
DOI: 10.5061/dryad.jd03548
title: Data from: Dielectric elastomer actuators based on stretchable and self-healable hydrogel electrodes

description: Dielectric elastomer actuator (DEA) based on dielectric elastomer holds
 promising applications in soft robotics. Compliant electrodes with large
 stretchability and high electrical conductivity are the vital components
 for the DEAs. In this study, a type of DEA was developed using carbon
 nanotube/polyvinyl alcohol (CNT/PVA) hydrogel electrodes. The CNT/PVA
 hydrogel electrodes demonstrate a stretchability up to 200% with a small
 relative resistance change of ~1.2, and a self-healing capability. The
 areal strain of the DEA based on the CNT/PVA hydrogel electrodes is more
 than 40%, much higher than the ones based on pure PVA electrodes.
description: Figure2b_TableRaw data table for generating Figure 2bFigure2c_TableReletive resistance change vs. applied strain showing gauge factor of the electrode based on the self-healing hydrogel.Figure2d_TableRaw data table of Figure 2d showing hysteresis of the electorde based on self-healing hydrogel under different strain.Figure2e_TableRaw data of duration test shown in Figure 2e.Figure3_TableRaw data table of visualized experiment in Figure 3 showing self-healing property of the electrode.Figure4c_TableRaw data table of Figure 2c showing how expansion strain of the DEA varying with DC voltage under different dielectric.Figure4d_TableRaw data table of Figure 4d showing expansion strain varying with frequency of AC voltage under different conditions.Figure5a_TableRaw data table of water loss test in Figure 4d.
DOI: 10.5061/dryad.7rh631v
title: Data from: Snail shell colour evolution in urban heat islands detected via citizen science

description: The extreme environmental conditions that prevail in cities are known to
 cause selection pressures leading to adaptive changes in wild,
 city-dwelling, organisms (urban evolution). The urban heat island,
 elevated temperatures in the city centre due to a combination of
 generation, reflection, and trapping of heat, is one of the best
 recognised and most widespread urban environmental factors. Here, we use a
 citizen-science approach to study the effects of urban heat on
 genetically-determined shell colour in the land snail Cepaea nemoralis in
 the Netherlands. We use smartphone applications to obtain colour data on
 almost 8000 snails throughout the country. Our analysis shows that snails
 in urban centres are more likely to be yellow than pink, an effect
 predicted on the basis of thermal selection. Urban yellow snails are also
 more likely to carry dark bands at the underside of the shell; these bands
 might affect thermoregulation in yet underexplored ways.
description: SnailSnap 2017 final
 data setPrimary data and
 metadata on citizen-science derived shell colour for Cepaea nemoralis, in
 relation to adaptation to the urban heat island. Each row is a single
 snail, photographed in the field by a participant.
DOI: 10.5061/dryad.sb4kr01
title: Data from: Loss of paraplegin drives spasticity rather than ataxia in a cohort of 241 patients with SPG7

description: Objective: We took advantage of a large multinational recruitment to
 delineate genotype-phenotype correlations in a large, trans-European
 multicenter cohort of patients with spastic paraplegia gene 7 (SPG7).
 Methods: We analyzed clinical and genetic data from 241 patients with
 SPG7, integrating neurologic follow-up data. One case was examined
 neuropathologically. Results: Patients with SPG7 had a mean age of 35.5 ±
 14.3 years (n = 233) at onset and presented with spasticity (n = 89),
 ataxia (n = 74), or both (n = 45). At the first visit, patients with a
 longer disease duration (&gt;20 years, n = 62) showed more cerebellar
 dysarthria (p &lt; 0.05), deep sensory loss (p &lt; 0.01), muscle
 wasting (p &lt; 0.01), ophthalmoplegia (p &lt; 0.05), and
 sphincter dysfunction (p &lt; 0.05) than those with a shorter duration
 (&lt;10 years, n = 93). Progression, measured by Scale for the
 Assessment and Rating of Ataxia evaluations, showed a mean annual increase
 of 1.0 ± 1.4 points in a subgroup of 30 patients. Patients homozygous for
 loss of function (LOF) variants (n = 65) presented significantly more
 often with pyramidal signs (p &lt; 0.05), diminished visual acuity due
 to optic atrophy (p &lt; 0.0001), and deep sensory loss (p &lt;
 0.0001) than those with at least 1 missense variant (n = 176). Patients
 with at least 1 Ala510Val variant (58%) were older (age 37.6 ± 13.7 vs
 32.8 ± 14.6 years, p &lt; 0.05) and showed ataxia at onset (p &lt;
 0.05). Neuropathologic examination revealed reduction of the pyramidal
 tract in the medulla oblongata and moderate loss of Purkinje cells and
 substantia nigra neurons. Conclusions: This is the largest SPG7 cohort
 study to date and shows a spasticity-predominant phenotype of LOF variants
 and more frequent cerebellar ataxia and later onset in patients carrying
 at least 1 Ala510Val variant.
description: Coarelli et al., Table
 4Table 4. New SPG7
 variants found in the analyzed cohort.Coarelli_Table
 4.docx