cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.10824568
title: Funnel Control for Langevin Dynamics

description: Data and codes to re-create the results in


T. Berger and F. Nüske, Funnel Control for Langevin Dynamics, arXiv:2211.07232 (2022)

 

See README.md for detailed instructions.
DOI: 10.5281/zenodo.10824569
title: Funnel Control for Langevin Dynamics

description: Data and codes to re-create the results in


T. Berger and F. Nüske, Funnel Control for Langevin Dynamics, arXiv:2211.07232 (2022)

 

See README.md for detailed instructions.
DOI: 10.5517/ccdc.csd.cc2drtww
title: CCDC 2227439: Experimental Crystal Structure Determination

description: Related Article: Wen-Jie Liu, Zhi-Chao Hu, Yu-Xi Wu, Shi-Hao Deng, Zhi-Lin Ren, Zhi-Bing Dong|2024|J.Org.Chem.|89|4098|doi:10.1021/acs.joc.3c02940
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.cc2dv05g
title: CCDC 2229525: Experimental Crystal Structure Determination

description: Related Article: Wen-Jie Liu, Zhi-Chao Hu, Yu-Xi Wu, Shi-Hao Deng, Zhi-Lin Ren, Zhi-Bing Dong|2024|J.Org.Chem.|89|4098|doi:10.1021/acs.joc.3c02940
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.cc2g4bml
title: CCDC 2268289: Experimental Crystal Structure Determination

description: Related Article: Shaodong Liu, Liang Cheng, Li Liu|2024|Org.Lett.|26|1902|doi:10.1021/acs.orglett.4c00204
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.cc2gnmc4
title: CCDC 2283936: Experimental Crystal Structure Determination

description: Related Article: Kelong Liu, Longchao Du, Tingting Wang|2024|Inorg.Chem.|63|4614|doi:10.1021/acs.inorgchem.3c04181
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.cc2gnmg7
title: CCDC 2283939: Experimental Crystal Structure Determination

description: Related Article: Kelong Liu, Longchao Du, Tingting Wang|2024|Inorg.Chem.|63|4614|doi:10.1021/acs.inorgchem.3c04181
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.cc2gnmwn
title: CCDC 2283952: Experimental Crystal Structure Determination

description: Related Article: Kelong Liu, Longchao Du, Tingting Wang|2024|Inorg.Chem.|63|4614|doi:10.1021/acs.inorgchem.3c04181
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: 10.5519/qd.at0kd7xb
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (113 records)
DOI: 10.6084/m9.figshare.25422847
title: Fecal DNA metabarcoding helps characterize the Canada jay’s diet and confirms its reliance on stored food for winter survival and breeding<i> </i>Supplemental Files

description: A complete list of primers used during PCR amplification. All primers used in our analysis are outlined here in addition to being described in the method section. (Supplemental File S2)R script used to calculate genetic distances between species identified using DNA metabarcoding. (Supplemental File S3)
DOI: 10.6084/m9.figshare.25421287
title: Dataset for Transkribus Vaybertaytsh HTR model

description: This is a dataset including transcriptions and images of texts written in Vaybertaytsh typeface in Amsterdam by the Ashkenazi community during the 18th century. The dataset was used by Ronnt Reshef and Mirjam Gutschow to build the HTR model Vaybertaytsh.YidTakNL in Transkribus.<b>It includes the following GT texts</b>:טראנסלאט אמפליאציען על תקנות דקהלתינו יצו ועל ידי דיא עדלי גרושאכטבארע הערן בורגרמיינשטרן אונ רעגירדרש דיזר שטאט אמשטרדם אפראבירט אין דאטא 23 July 1765, https://mss.huc.edu/portfolio/rbr-d-129/ , https://huc.on.worldcat.org/oclc/1139708262תקנות הקהלה דקהל אשכנזים דק"ק אמשטילרדם 1711, https://mss.huc.edu/portfolio/rbr-o-128/תקנות הקהלה דקהל קודש אשכנזים 1737, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171/NLIאמפליאציע אונ' אלטעראציע על תקנות דקהלתינו יצ"ו ועל ידי דיא עדלי גרוש אכטבארי הערן בורגרמיינשטרן אונ' רעגיררש דיזר שטאט אמשטרדם אפראבירט דען 5 יוני 1781, https://www.nli.org.il/he/books/NNL_ALEPH990021163940205171/NLIבורגרמיינשטרן אונ' רעגירדרש דיזר שטאט אמשטרדם ... נעשה ה' מאיי 1747 ... יאן פון לאן דע יונג<br>(page head: תקנות הקהלה)<br>(+ אמפליאצי על תקנות ... מאיי 1947 ... & עקסטראקט אויז עש 11 גרוש מעמאריאל דיזר שטאט ... פאליא 51 וכו'), https://www.nli.org.il/he/books/NNL_ALEPH001294844/NLI<br><br>טראנסלאט אמפליאציען על תקנות קהלתינו יצו ועל ידי דיא עדלי גרויש אכטבארי הערן בורגרמיינשטרס אונ' רעגירדרש דיזר שטאט אמשטרדם אפראביהרט אין דאטא 10 דעצעמבר 1772, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171טראנסלאט אמפליאציען על תקנות קהלתינו יצו ועל ידי דיא עדלי גרויש אכטבארי הערן בורגרמיינשטרס אונ' רעגירדרש דיזר שטאט אמשטרדם אפראביהרט אין דאטא 8 אקטאבר 1772, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171See also: https://doi.org/10.5281/zenodo.8328503 for more information.
DOI: 10.6084/m9.figshare.25421287.v1
title: Dataset for Transkribus Vaybertaytsh HTR model

description: This is a dataset including transcriptions and images of texts written in Vaybertaytsh typeface in Amsterdam by the Ashkenazi community during the 18th century. The dataset was used by Ronnt Reshef and Mirjam Gutschow to build the HTR model Vaybertaytsh.YidTakNL in Transkribus.<b>It includes the following GT texts</b>:טראנסלאט אמפליאציען על תקנות דקהלתינו יצו ועל ידי דיא עדלי גרושאכטבארע הערן בורגרמיינשטרן אונ רעגירדרש דיזר שטאט אמשטרדם אפראבירט אין דאטא 23 July 1765, https://mss.huc.edu/portfolio/rbr-d-129/ , https://huc.on.worldcat.org/oclc/1139708262תקנות הקהלה דקהל אשכנזים דק"ק אמשטילרדם 1711, https://mss.huc.edu/portfolio/rbr-o-128/תקנות הקהלה דקהל קודש אשכנזים 1737, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171/NLIאמפליאציע אונ' אלטעראציע על תקנות דקהלתינו יצ"ו ועל ידי דיא עדלי גרוש אכטבארי הערן בורגרמיינשטרן אונ' רעגיררש דיזר שטאט אמשטרדם אפראבירט דען 5 יוני 1781, https://www.nli.org.il/he/books/NNL_ALEPH990021163940205171/NLIבורגרמיינשטרן אונ' רעגירדרש דיזר שטאט אמשטרדם ... נעשה ה' מאיי 1747 ... יאן פון לאן דע יונג<br>(page head: תקנות הקהלה)<br>(+ אמפליאצי על תקנות ... מאיי 1947 ... & עקסטראקט אויז עש 11 גרוש מעמאריאל דיזר שטאט ... פאליא 51 וכו'), https://www.nli.org.il/he/books/NNL_ALEPH001294844/NLI<br><br>טראנסלאט אמפליאציען על תקנות קהלתינו יצו ועל ידי דיא עדלי גרויש אכטבארי הערן בורגרמיינשטרס אונ' רעגירדרש דיזר שטאט אמשטרדם אפראביהרט אין דאטא 10 דעצעמבר 1772, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171טראנסלאט אמפליאציען על תקנות קהלתינו יצו ועל ידי דיא עדלי גרויש אכטבארי הערן בורגרמיינשטרס אונ' רעגירדרש דיזר שטאט אמשטרדם אפראביהרט אין דאטא 8 אקטאבר 1772, https://www.nli.org.il/en/books/NNL_ALEPH990012586850205171See also: https://doi.org/10.5281/zenodo.8328503 for more information.
DOI: 10.21227/1r6x-0827
title: Beyond Complaints: A Strategic Analysis of  College Grievance Redressal System

description:  The Grievance Redressal System (GRS) aims to look into the complaints lodged by any student and redress it as per requirement. The students can state their grievance regarding any academic and non- academic matter within the campusthrough the online and grievance/ suggestion box. The institution aims at solving the grievances of the students within stipulated academic and non- academic matter within the campus through the online and grievance/ suggestion box. The institution aims at solving the grievances of the students within stipulated time.
DOI: 10.5281/zenodo.10199937
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (v22.05.1) inlists, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10215149
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (v22.05.1) inlists, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10217154
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (v22.05.1) inlists, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10514585
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (r23.05.1 with mesasdk-x86_64-linux-23.7.3) inlists and history files, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10199936
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (r23.05.1 with mesasdk-x86_64-linux-23.7.3) inlists and history files, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10803761
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (r23.05.1 with mesasdk-x86_64-linux-23.7.3) inlists and history files, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.5281/zenodo.10824649
title: Animation, MESA inlists, and post-processing package for "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants"

description: Videos, post-processing package for mock ALMA observations, MESA (r23.05.1 with mesasdk-x86_64-linux-23.7.3) inlists and history files, Jupyter notebook and data to reproduce figures of the paper "Is Betelgeuse really rotating? Synthetic ALMA observations of large-scale convection in 3D simulations of Red Supergiants".
DOI: 10.6084/m9.figshare.25422856.v1
title: Supplementary Material for: Reference data for a quick speech-in-noise hearing test in the French language

description: Introduction: Difficulties in understanding speech in noise is the most common complaint of people with hearing impairment. Thus, there is a need for tests of speech-in-noise ability in clinical settings, which have to be evaluated for each language. Here, a reference dataset is presented for a quick speech-in-noise test in the French language (Vocale Rapide dans le Bruit, VRB; Leclercq, Renard & Vincent, 2018). 

Methods: A large cohort (N=641) was tested in a nationwide multicentric study. The cohort comprised normal-hearing individuals and individuals with a broad range of symmetrical hearing losses. Short everyday sentences embedded in babble noise were presented over a spatial array of loudspeakers. Speech level was kept constant while noise level was progressively increased over a range of signal-to-noise ratios. The signal-to-noise ratio for which 50% of keywords could be correctly reported (Speech Reception Threshold, SRT) was derived from psychometric functions. Other audiometric measures were collected for the cohort, such as audiograms and speech-in-quiet performance.

Results: The VRB test was both sensitive and reliable, as shown by the steep slope of the psychometric functions and by the high test-retest consistency across sentence lists. Correlation analyses showed that pure tone averages derived from the audiograms explained 74% of the SRT variance over the whole cohort, but only 29% for individuals with clinically normal audiograms. SRTs were then compared to recent guidelines from the French Society of Audiology (Joly et al., 2021). Among individuals who would not have qualified for hearing aid prescription based on their audiogram or speech intelligibility in quiet, 18.4% were now eligible as they displayed SRTs in noise impaired by 3 dB or more. For individuals with borderline audiograms, between 20 dB HL and 30 dB HL, the prevalence of impaired SRTs increased to 71.4%. Finally, even though five lists are recommended for clinical use, a minute-long screening using only one VRB list detected 98.6% of impaired SRTs. 

Conclusion: The reference data suggest that VRB testing can be used to identify individuals with speech-in-noise impairment.
DOI: 10.21227/npv7-8063
title: SYNTHETIC ELECTRORETINOGRAM SIGNALS FOR ENHANCING CLASSIFICATION OF AUTISM SPECTRUM DISORDER

description: The electroretinogram (ERG) is a clinical test that records the retina's electrical response to light. The ERG is a promising way to study different neurodevelopmental and neurodegenerative disorders, including Autism Spectrum Disorder (ASD) - a neurodevelopmental condition that impacts language, communication, and social interactions. However, privacy issues and a lack of data complicate Artificial Intelligence applications in this domain. Synthetic ERG signals generated from real ERG recordings should carry similar information and could be used as an extension for natural data. The synthetic dataset consists of ASD and Control with flash strengths of 1.204, 1.114, 0.949, and 0.799 (log cd.s.m^−2). Synthetic reference signals can enhance medical operational efficiency by offering a feasible alternative to natural ones. Synthesizing facilitates dataset expansion within specialized domains, enabling training resource-intensive networks such as transformers.
DOI: 10.34740/kaggle/dsv/7859047
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.34740/kaggle/dsv/7858908
title: Real Estate Data UAE
DOI: 10.5281/zenodo.8028600
title: Molecular dynamics simulations of hyaluronan octamer–tetrapeptide mixtures

description: To cite: Riopedre-Fernandez, M.; Biriukov, D.; Dračínský, M.; Martinez-Seara, H. Hyaluronan-arginine enhanced and dynamic interaction emerges from distinctive molecular signature due to electrostatics and side-chain specificity. Carbohydr. Polym. 2024, 325, 121568. DOI: 10.1016/j.carbpol.2023.121568

MD simulations of hyaluronan octamer (HA8) with tetrapeptides. Simulation files and molecular topologies are provided.

Tetrapeptides simulated: tetraarginine (R4), tetralysine (K4), tetraalanine (A4), tetraproline (P4), tetraglycine (G4), arginine-lysine-arginine-lysine (RKRK), and tetraglutamic acid (E4).

Two force fields were compared: CHARMM (version charmm36-jul2020.ff.tgz from http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs) and prosECCo75 (https://gitlab.com/sparkly/prosecco/prosECCo75).

Each simulation contained one hyaluronan polymer, one tetrapeptide, CHARMM-specific TIP3P water, and potassium counterions (standard "K" model in CHARMM and "K_s" model in prosECCo75) when necessary.

We also additionally performed: (i) reference simulations with only hyaluronan octamer and potassium counterions; (ii) reference simulations with only R4 or K4 peptide and chloride counterions; (iii) simulations with two peptides (R4, K4, or G4) and two hyaluronan octamers.

Simulations were done in Gromacs.

Length - at least 1 µs, prolonged till 2 µs for prosECCo75 systems with R4, K4, or G4 peptides.

Temperature - 300 K.

For peer-reviewing process, extracted PDB configurations (a configuration every 10 ns of 2 μs simulations excluding the first 100 ns of equilibration) from selected systems were separately uploaded to http://doi.org/10.5281/zenodo.8423276
DOI: 10.5517/ccdc.csd.cc2grz7g
title: CCDC 2287156: Experimental Crystal Structure Determination

description: Related Article: Mengjia Ni, Shuanggen Gui, Yang Fu, Yiyuan Peng, Qiuping Ding|2024|J.Org.Chem.|89|3970|doi:10.1021/acs.joc.3c02809
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.cc2h97nq
title: CCDC 2302793: Experimental Crystal Structure Determination

description: Related Article: Ramesh Kotipalli, Jagadeesh Babu Nanubolu, Maddi Sridhar Reddy|2024|J.Org.Chem.|89|3834|doi:10.1021/acs.joc.3c02665
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.cc2h97pr
title: CCDC 2302794: Experimental Crystal Structure Determination

description: Related Article: Ramesh Kotipalli, Jagadeesh Babu Nanubolu, Maddi Sridhar Reddy|2024|J.Org.Chem.|89|3834|doi:10.1021/acs.joc.3c02665
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.cc2h97qs
title: CCDC 2302795: Experimental Crystal Structure Determination

description: Related Article: Ramesh Kotipalli, Jagadeesh Babu Nanubolu, Maddi Sridhar Reddy|2024|J.Org.Chem.|89|3834|doi:10.1021/acs.joc.3c02665
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.cc2hdhq4
title: CCDC 2305926: Experimental Crystal Structure Determination

description: Related Article: Jing Chen, Tingting Yang, Sushan Feng, Leiyu Wang, Jianhui Xie, Yingying Liu|2024|Inorg.Chem.|63|4790|doi:10.1021/acs.inorgchem.4c00223
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.cc2hdrb0
title: CCDC 2306162: Experimental Crystal Structure Determination

description: Related Article: Antonio DiPasquale|2023|CSD Communication|||
description: Related Article: Emma Yang, Derek M. Dalton|2024|J.Org.Chem.|89|4221|doi:10.1021/acs.joc.3c02841
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.cc2hh2nr
title: CCDC 2308404: Experimental Crystal Structure Determination

description: Related Article: Ayan A. Zhumekenov, Yongxin Li, Yifan Zhou, Natalia Yantara, Anil Kanwat, Benny Febriansyah, Darrell Jun Jie Tay, Hesham R. Abuzeid, Yeow Boon Tay, Emha Bayu Miftahullatif, Kedar Hippalgaonkar, Sumod A. Pullarkat, Jun Yin, Nripan Mathews|2024|J.Am.Chem.Soc.|146|6706|doi:10.1021/jacs.3c12891
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.cc2hh2ps
title: CCDC 2308405: Experimental Crystal Structure Determination

description: Related Article: Ayan A. Zhumekenov, Yongxin Li, Yifan Zhou, Natalia Yantara, Anil Kanwat, Benny Febriansyah, Darrell Jun Jie Tay, Hesham R. Abuzeid, Yeow Boon Tay, Emha Bayu Miftahullatif, Kedar Hippalgaonkar, Sumod A. Pullarkat, Jun Yin, Nripan Mathews|2024|J.Am.Chem.Soc.|146|6706|doi:10.1021/jacs.3c12891
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.