cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.18063848
title: Stereochemistry-Guided Switch From Irreversible to Slow-Binding Cathepsin L Inhibition

description: Reduced trajectories (5000 snapshots of each 0.5 µs MD data) of the non-covalent complex formed between the inhibitors (D1, D2, D2-flipped and AMK) and cathepsin L (CatL).
description: Due to its involvement in a range of disease-related processes, such as cancer metastasis, viral entry, and immune dysregulation, cathepsin L (CatL), a lysosomal cysteine protease, has been proposed as an attractive therapeutic target. In this work, we present the design, synthesis, and mechanistic investigation of two epoxy ketone-based dipeptidyl CatL inhibitors (D1 and D2), and two azido-based derivatives (AZA and AMK). From a combination of experimental and computational studies, we have demonstrated the importance of epoxide stereochemistry and azido functionality in determining the mode of inhibition and reactivity. Classical and hybrid QM/MM Molecular dynamics (MD) simulations show that only (R)-epoxide (D1) occupies reactive conformations with respect to the catalytic dyad (Cys25–His163), leading to irreversible covalent inactivation via nucleophilic attack at the epoxide functionality. (S)-Epoxide (D2), on the other hand, occupies non-reactive conformations but can reach a less stable "flipped" conformation suggesting a very slow SN2-type attack at the carbon adjacent to the azido moiety. The substitution of the epoxide with an azidomethyl ketone (AMK) preserved the slow-binding covalent competition, but exploration of the free energy landscape revealed a lower activation barrier, consistent with the retention of activity. Kinetic, mass spectrometry (MS), Saturation Transfer Difference (STD) NMR, and thermal-shift studies support the computational predictions and show how slight modifications to the stereochemistry and the warhead of the inhibitor can tune CatL activity, from fully irreversible to slow-binding reversible inhibition. These results provide a rational framework for designing covalent inhibitors with tunable residence times and dual reactivity toward CatL that are important in cancer progression and in viral processes.
DOI: 10.15468/dl.59bx9v
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Greece",
 "TaxonKey is Colydium elongatum"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067617-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/14319287
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.3886/e241785
title: Cross River State College of Nursing Sciences Itigidi 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542

description: Cross River State College of Nursing Sciences Itigidi 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542
DOI: 10.15468/dl.63thxh
title: Occurrence Download

description: A dataset containing 36953 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cydia pomonella"
 ]
}

 The dataset includes 36953 records from 336 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067618-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jskwh8
title: Occurrence Download

description: A dataset containing 73594 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cotinus"
 ]
}

 The dataset includes 73594 records from 697 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067611-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28103267
title: <b>Navigating the Media Landscape: Encouraging Healthy Eating Through Food Literacy and Rational Fear Among Chinese Adults During COVID-19</b>

description: Supplementary notes for the article titled “Navigating the media landscape: Encouraging healthy eating through food literacy and rational fear among Chinese adults during COVID-19”
DOI: 10.6084/m9.figshare.28103267.v1
title: <b>Navigating the Media Landscape: Encouraging Healthy Eating Through Food Literacy and Rational Fear Among Chinese Adults During COVID-19</b>

description: Dataset for the article titled “Navigating the media landscape: Encouraging healthy eating through food literacy and rational fear among Chinese adults during COVID-19”
DOI: 10.6084/m9.figshare.28103267.v2
title: <b>Navigating the Media Landscape: Encouraging Healthy Eating Through Food Literacy and Rational Fear Among Chinese Adults During COVID-19</b>

description: Supplementary notes for the article titled “Navigating the media landscape: Encouraging healthy eating through food literacy and rational fear among Chinese adults during COVID-19”
DOI: 10.15468/dl.xcevws
title: Occurrence Download

description: A dataset containing 1288 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea brunnata"
 ]
}

 The dataset includes 1288 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067619-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.30959597
title: <b>干旱区深根植被向浅根植被转换的适宜年限评估 —— 基于生态与经济双重视角</b>

description: 本研究从生态与经济双重视角，选取土壤储水量、干燥土层、作物水分利用效率、土壤含水量时间稳定性及农户收入五项指标，评估了深根植被向浅根植被转换的适宜年限。
DOI: 10.6084/m9.figshare.30959597.v1
title: <b>干旱区深根植被向浅根植被转换的适宜年限评估 —— 基于生态与经济双重视角</b>

description: 本研究从生态与经济双重视角，选取土壤储水量、干燥土层、作物水分利用效率、土壤含水量时间稳定性及农户收入五项指标，评估了深根植被向浅根植被转换的适宜年限。
DOI: 10.15468/dl.tygkgu
title: Occurrence Download

description: A dataset containing 430 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea cochranae"
 ]
}

 The dataset includes 430 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067621-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wugjfy
title: Occurrence Download

description: A dataset containing 2890 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Benin",
 "OccurrenceStatus is Present",
 "TaxonKey is Tragelaphus scriptus"
 ]
}

 The dataset includes 2890 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067622-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.grsvs3
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea conanti"
 ]
}

 The dataset includes 15 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067623-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3886/e241818
title: School of Nursing, Eku 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542

description: School of Nursing, Eku 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542
DOI: 10.34740/kaggle/dsv/14319451
title: Trending Youtube Video Statistics (113 Countries)
DOI: 10.5519/qd.1as4zdn4
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3 records)
DOI: 10.15468/dl.mpez3e
title: Occurrence Download

description: A dataset containing 258 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Benin",
 "OccurrenceStatus is Present",
 "TaxonKey is Tragelaphus scriptus",
 "Year 2020-2025"
 ]
}

 The dataset includes 258 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067624-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18073946
title: Supporting data (Figure1) for "Multifrequency phase locking and hyperplane structures in particle orientation"

description: This repository provides numerical datasets and a Python script used to generate Fig. 1 of the associated Physical Review E article.

The datasets contain rotation numbers obtained from simulations of the orientation dynamics of flake-like particles governed by a reduced Jeffery-type equation in two-dimensional flows. Results are stored in compressed NumPy files (Fig1a.npz and Fig1b.npz), corresponding to panels (a) and (b) of Fig. 1, respectively.

Each dataset includes the background vorticity parameter Ω, pairs of driving frequencies (ω1,ω2), and the computed rotation numbers ρ, defined as the average angular drift per unit time over long-time simulations.

The Python script plot_fig1.py reproduces the contour plots and slices shown in Fig. 1 using the provided data. Additional details on the data structure and usage are given in README.txt.
DOI: 10.5281/zenodo.18073947
title: Supporting data (Figure1) for "Multifrequency phase locking and hyperplane structures in particle orientation"

description: This repository provides numerical datasets and a Python script used to generate Fig. 1 of the associated Physical Review E article.

The datasets contain rotation numbers obtained from simulations of the orientation dynamics of flake-like particles governed by a reduced Jeffery-type equation in two-dimensional flows. Results are stored in compressed NumPy files (Fig1a.npz and Fig1b.npz), corresponding to panels (a) and (b) of Fig. 1, respectively.

Each dataset includes the background vorticity parameter Ω, pairs of driving frequencies (ω1,ω2), and the computed rotation numbers ρ, defined as the average angular drift per unit time over long-time simulations.

The Python script plot_fig1.py reproduces the contour plots and slices shown in Fig. 1 using the provided data. Additional details on the data structure and usage are given in README.txt.
DOI: 10.15468/dl.kqct3n
title: Occurrence Download

description: A dataset containing 3783 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "GadmGid is DEU.10_1",
 "License is one of (CC-BY 4.0, CC-BY-NC 4.0)",
 "OccurrenceStatus is Present",
 "TaxonKey is Roeseliana roeselii",
 "Year 2020-2025"
 ]
}

 The dataset includes 3783 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067625-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/14319526
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.15468/dl.8fjz4g
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea exspectata"
 ]
}

 The dataset includes 63 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067626-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3886/e241819
title: Ebonyi State School of Nursing Mater Misericordiae Hospital Afikpo 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542

description: Ebonyi State School of Nursing Mater Misericordiae Hospital Afikpo 2026/2027 Admission Form Is On Sale.Call 07076040542 To Apply and further admission assistance. Call Admin +2347076040542
DOI: 10.15468/dl.24au3j
title: Occurrence Download

description: A dataset containing 85 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Benin",
 "OccurrenceStatus is Present",
 "TaxonKey is Tragelaphus scriptus",
 "Year 2023-2025"
 ]
}

 The dataset includes 85 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067627-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xkvd79
title: Occurrence Download

description: A dataset containing 50 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea firscheini"
 ]
}

 The dataset includes 50 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067628-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jcdw23
title: Occurrence Download

description: A dataset containing 676 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pseudoeurycea gadovii"
 ]
}

 The dataset includes 676 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0067631-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccw0x1t
title: CCDC 805226: Experimental Crystal Structure Determination

description: Related Article: J.Petuskova, H.Bruns, M.Alcarazo|2011|Angew.Chem.,Int.Ed.|50|3799|doi:10.1002/anie.201100338
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/cctd5v6
title: CCDC 756488: Experimental Crystal Structure Determination

description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, S.Ghosh|2011|Angew.Chem.,Int.Ed.|50|3908|doi:10.1002/anie.201008101
description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, B.Varghese, S.M.Mobin, S.Ghosh|2011|Inorg.Chem.|50|5824|doi:10.1021/ic200802c
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/ccvqflk
title: CCDC 796129: Experimental Crystal Structure Determination

description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, S.Ghosh|2011|Angew.Chem.,Int.Ed.|50|3908|doi:10.1002/anie.201008101
description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, B.Varghese, S.M.Mobin, S.Ghosh|2011|Inorg.Chem.|50|5824|doi:10.1021/ic200802c
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/ccvx8pp
title: CCDC 801743: Experimental Crystal Structure Determination

description: Related Article: G.Jayamurugan, J.-P.Gisselbrecht, C.Boudon, F.Schoenebeck, W.B.Schweizer, B.Bernet, F.Diederich|2011|Chem.Commun.|47|4520|doi:10.1039/c1cc10247h
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/ccvzn1h
title: CCDC 804017: Experimental Crystal Structure Determination

description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, S.Ghosh|2011|Angew.Chem.,Int.Ed.|50|3908|doi:10.1002/anie.201008101
description: Related Article: K.Geetharani, S.K.Bose, S.Sahoo, B.Varghese, S.M.Mobin, S.Ghosh|2011|Inorg.Chem.|50|5824|doi:10.1021/ic200802c
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/ccvx8qq
title: CCDC 801744: Experimental Crystal Structure Determination

description: Related Article: G.Jayamurugan, J.-P.Gisselbrecht, C.Boudon, F.Schoenebeck, W.B.Schweizer, B.Bernet, F.Diederich|2011|Chem.Commun.|47|4520|doi:10.1039/c1cc10247h
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/ccvx8rr
title: CCDC 801745: Experimental Crystal Structure Determination

description: Related Article: G.Jayamurugan, J.-P.Gisselbrecht, C.Boudon, F.Schoenebeck, W.B.Schweizer, B.Bernet, F.Diederich|2011|Chem.Commun.|47|4520|doi:10.1039/c1cc10247h
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/ccvx8ss
title: CCDC 801746: Experimental Crystal Structure Determination

description: Related Article: G.Jayamurugan, J.-P.Gisselbrecht, C.Boudon, F.Schoenebeck, W.B.Schweizer, B.Bernet, F.Diederich|2011|Chem.Commun.|47|4520|doi:10.1039/c1cc10247h
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/ccvxrzg
title: CCDC 802217: Experimental Crystal Structure Determination

description: Related Article: G.Jayamurugan, J.-P.Gisselbrecht, C.Boudon, F.Schoenebeck, W.B.Schweizer, B.Bernet, F.Diederich|2011|Chem.Commun.|47|4520|doi:10.1039/c1cc10247h
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/ccw5ln8
title: CCDC 809740: Experimental Crystal Structure Determination

description: Related Article: C.Givelet, Junling Sun, Di Xu, T.J.Emge, A.Dhokte, R.Warmuth|2011|Chem.Commun.|47|4511|doi:10.1039/c1cc10510h
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/ccvx653
title: CCDC 801665: Experimental Crystal Structure Determination

description: Related Article: M.Tuikka, P.Hirva, K.Rissanen, J.Korppi-Tommola, M.Haukka|2011|Chem.Commun.|47|4499|doi:10.1039/c1cc10491h
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/ccw51sv
title: CCDC 809217: Experimental Crystal Structure Determination

description: Related Article: Yu Peng, Ai-Jiang Zhang, Ming Dong, Ya-Wen Wang|2011|Chem.Commun.|47|4505|doi:10.1039/c1cc10400d
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/ccw50lm
title: CCDC 809180: Experimental Crystal Structure Determination

description: Related Article: Chenrong Tan, Sihai Yang, N.R.Champness, Xiang Lin, A.J.Blake, W.Lewis, M.Schroder|2011|Chem.Commun.|47|4487|doi:10.1039/c1cc10378d
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/ccw7zbd
title: CCDC 812024: Experimental Crystal Structure Determination

description: Related Article: N.Aoyagi, K.Shimojo, N.R.Brooks, R.Nagaishi, H.Naganawa, K.Van Hecke, L.Van Meervelt, K.Binnemans, T.Kimura|2011|Chem.Commun.|47|4490|doi:10.1039/c0cc05550f
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/ccw020y
title: CCDC 804419: Experimental Crystal Structure Determination

description: Related Article: S.P.Mahanta, B.S.Kumar, P.K.Panda|2011|Chem.Commun.|47|4496|doi:10.1039/c1cc10284b
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/ccw021z
title: CCDC 804420: Experimental Crystal Structure Determination

description: Related Article: S.P.Mahanta, B.S.Kumar, P.K.Panda|2011|Chem.Commun.|47|4496|doi:10.1039/c1cc10284b
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.