cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1q75y2
title: CCDC 1585834: Experimental Crystal Structure Determination

description: Related Article: N.Yu. Serov, V.G. Shtyrlin, D.R. Islamov, O.N. Kataeva, D.B. Krivolapov|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|981|doi:10.1107/S2056989018008538
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.cc1q75z3
title: CCDC 1585835: Experimental Crystal Structure Determination

description: Related Article: N.Yu. Serov, V.G. Shtyrlin, D.R. Islamov, O.N. Kataeva, D.B. Krivolapov|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|981|doi:10.1107/S2056989018008538
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: 10.17632/9hzzf9m4kh.1
title: Nishiyama et al. Chara braunii genome, alignment underlying phylogenetic trees & data for Fig. 3
DOI: 10.5281/zenodo.1293956
title: Gromos-Ckp Dppe Simulations (Versions 1 And 2) 342 K

description: Two GROMOS-CKP DPPE bilayer simulations performed using GROMACS 5.0.6 for 500 ns with different starting velocities. Simulations were performed with a 1.4 nm cut-off with PME for the Coulombic and a 1.4 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 342 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated DPPE membrane simulated with an older version of the force field which used the PC charges in the head group (see the SI of https://pubs.acs.org/doi/abs/10.1021/jp207013v). The newer PE parameters were constructed using the standard GROMOS lysine parameters.
DOI: 10.5281/zenodo.1293957
title: Gromos-Ckp Dppe Simulations (Versions 1 And 2) 342 K

description: Two GROMOS-CKP DPPE bilayer simulations performed using GROMACS 5.0.6 for 500 ns with different starting velocities. Simulations were performed with a 1.4 nm cut-off with PME for the Coulombic and a 1.4 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 342 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated DPPE membrane simulated with an older version of the force field which used the PC charges in the head group (see the SI of https://pubs.acs.org/doi/abs/10.1021/jp207013v). The newer PE parameters were constructed using the standard GROMOS lysine parameters.
DOI: 10.5517/ccdc.csd.cc1q7605
title: CCDC 1585836: Experimental Crystal Structure Determination

description: Related Article: N.Yu. Serov, V.G. Shtyrlin, D.R. Islamov, O.N. Kataeva, D.B. Krivolapov|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|981|doi:10.1107/S2056989018008538
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.cc201m6x
title: CCDC 1848598: Experimental Crystal Structure Determination

description: Related Article: E. Żesławska, W. Nitek, H. Marona, A.M. Waszkielewicz|2018|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|74|856|doi:10.1107/S2053229618008574
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.cc201m7y
title: CCDC 1848599: Experimental Crystal Structure Determination

description: Related Article: E. Żesławska, W. Nitek, H. Marona, A.M. Waszkielewicz|2018|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|74|856|doi:10.1107/S2053229618008574
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: 10.5281/zenodo.1293888
title: Berger Pope Simulations (Versions 1 And 2) 303 K - De Vries Repulsive H

description: Two Berger-based POPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated POPE membrane simulated with the GROMOS-CKP force field. The PE parameters were constructed following the approach for DOPE used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), and so include a small repulsive potential on the explicit hydrogen atoms.
DOI: 10.5281/zenodo.1293889
title: Berger Pope Simulations (Versions 1 And 2) 303 K - De Vries Repulsive H

description: Two Berger-based POPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated POPE membrane simulated with the GROMOS-CKP force field. The PE parameters were constructed following the approach for DOPE used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), and so include a small repulsive potential on the explicit hydrogen atoms.
DOI: 10.5281/zenodo.1293890
title: Berger Pope Simulations (Versions 1 And 2) 303 K - Larger Repulsive H

description: Two Berger-based POPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated POPE membrane simulated with the GROMOS-CKP force field. The PE parameters were constructed following the approach for DOPE used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), but with a slightly larger repulsive potential included for the explicit hydrogen atoms (designed to increase the area per lipid).
DOI: 10.5281/zenodo.1293891
title: Berger Pope Simulations (Versions 1 And 2) 303 K - Larger Repulsive H

description: Two Berger-based POPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was taken from an equilibrated POPE membrane simulated with the GROMOS-CKP force field. The PE parameters were constructed following the approach for DOPE used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), but with a slightly larger repulsive potential included for the explicit hydrogen atoms (designed to increase the area per lipid).
DOI: 10.14457/sut.res.2014.63
title: ผลของสารสกัดจากบัวบกที่มีต่อระบบหลอดเลือดและหัวใจ
DOI: 10.5061/dryad.r5b482n/1
title: BioProject PRJNA476832

description: The BioProject submission (ID PRJNA476832; http://www.ncbi.nlm.nih.gov/bioproject/476832) contains all of the raw sequence data associated with this project. The README.xlsx file contains sample and coverage information.
DOI: 10.14457/mu.res.2013.38
title: The experience of burmese migrants with tuberculosis in transnationalism context
DOI: 10.14457/psru.res.2008.3
title: การศึกษาเนื้อดินปั้นบ้านแสงดาวและเคลือบเพื่อผลิตเครื่องปั้นดินเผาวัดตาปะขาวหาย
DOI: 10.14457/sut.res.2012.59
title: แบบจำลองการประยุกต์ใช้ปรัชญาของเศรษฐกิจพอเพียงกับสภาวะเศรษฐกิจสังคมของครัวเรือนในชุมชนชนบท ภาคตะวันออกเฉียงเหนือ
DOI: 10.14457/sut.res.2014.64
title: ผลของสารสกัดจากเปลือกผลไม้ในเขตร้อนบางชนิดที่มีต่อโรคอ้วน
DOI: 10.14457/sut.res.2017.17
title: ฤทธิ์ต้านของแมงลักคาต่อโปรแกรมการตายของเซลล์สายพันธุ์
DOI: 10.14457/sut.res.2017.18
title: การตรวจสอบความเป็นพิษและฤทธิ์ทางชีวภาพของว่านขันหมาก
DOI: 10.14458/tsu.res.2009.2
title: เอนไซม์โปรตีเนสจากลำไส้ปลาทูน่าพันธุ์โอแถบ: การทำบริสุทธิ์และการจำแนกคุณลักษณะ
DOI: 10.5281/zenodo.1293050
title: Tcga-Rcc

description: Renal cell carcinoma data from TCGA
DOI: 10.5281/zenodo.1293051
title: Tcga-Rcc

description: Renal cell carcinoma data from TCGA
DOI: 10.14457/kmitl.res.2009.144
title: กระบวนการประยุกต์ใช้กลีเซอรอลที่เป็นผลพลอยได้จากกระบวนการผลิต ไบโอดีเซลเป็นอาหารเลี้ยงเชื้อเพื่อเพิ่มการผลิตสารแอสตาแซนทินจากเชื้อ
DOI: 10.14457/kmutt.res.2016.2
title: การผลิตเชื้อเพลิงชีวมวลจากสบู่ดำ
DOI: 10.14457/ksu.res.2010.1
title: การศึกษาคุณภาพนํ้าในเขื่อนลำปาว จังหวัดกาฬสินธุ์
DOI: 10.17632/d54vkn8hgp.1
title: cationic functionalized imatinib nanocrystals

description: In vitro and in vivo evaluation of cationic functionalized imatinib nanocrystals
DOI: 10.17632/sgsyn672nf.1
title: A block Jacobi method for complex skew-symmetric matrices with applications in the time-dependent variational principle

description: An iterative Jacobi-like algorithm is described for transforming a skew-symmetric complex matrix A of even dimension into Murnaghan’s normal form. The decomposition allows to determine the singular values of A and to solve the system of linear equations Ax = b in a least square sense without accidentally destroying the skew-symmetry. Complex skew-symmetric matrices arise in the context of the time-dependent variational principle (TDVP), that maps a quantum mechanical system to a Hamiltonian system in a high-dimensional curved phase space. When the skew-symmetric phase space metric becomes singular because of parameter redundancies, the equations of motion have to be solved in a least square sense. The presented algorithm ensures that the symplectic structure is retained also in the least square solution. As a test case it is applied to studying the deflection of a photoelectron by a hydrogen atom using the TDVP. A Fortran implementation of the skew-Jacobi algorithm is provided as supplementary material.
DOI: 10.17632/w9hyyjz992.1
title: cationic functionalized imatinib nanocrystals (raw)

description: characterization of cationic functionalized imatinib nanocrystals
DOI: 10.4225/57/5b29dcd792808
title: Contractile activity of the bladder urothelium and lamina propria

description: This project involves investigating the receptors, genes and neuronal systems modulating a unique contractile activity generated from within the bladder wall. The activity may be an underlying cause of lower urinary tract diseases and this research has identified a range of novel therapeutic targets which can be clinically utilised for therapeutic treatments.
DOI: 10.13135/ela-208
title: List of parthenoi honoured
DOI: 10.4225/57/5b29e16c92809
title: Determining the gaps between Cochrane reviews and trials of effectiveness of interventions for acute respiratory infections: An audit

description: Cochrane primarily aims to systematically review trials of effectiveness that are important to inform clinical decisions. Editorial groups support authors to achieve high quality reviews and prioritise review proposals in their clinical domain that are submitted or elicited. Prioritising proposals requires two approaches, identifying: 1) clinical practices for which the evidence of effectiveness is uncertain; and 2) interventions in which there are trials of effectiveness (especially randomised controlled trials, RCTs) not systematically reviewed. This study addresses this second approach for the Cochrane Acute Respiratory Infections Group (CARIG).
DOI: 10.6073/pasta/6446933e2156ededb89b762b000bb87e
title: CSM06 Seasonal summary of numbers of small mammals on miscellaneous traplines in prairie habitats that were trapped from 1 to 11 years at Konza Prairie

description: Data set contains seasonal summaries (spring, summer and autumn) of the number of individuals of each species of small mammal captured (relative abundance) on each prairie trapline. Each record contains year, season, trapline and number of individuals captured of each species. These live trap records are based on daily captures during 4-day trapping periods in spring (early March to early April), summer (late June to late July) and autumn (early October to mid-November) for each permanent trapline (two traplines per treatment). These treatments include annual burns, 2-year burns, 4-year burns and 10-year burns; none were grazed by bison. This data set includes 14 traplines sampled in autumn and spring and 30 traplines in summer.
DOI: 10.17632/c85nth69rb.1
title: Description of speleothem samples collected for U-series dating of Paleolithic cave art in Shulgan-Tash cave, Southern Ural, Russia

description: The data set describes sampling sites and samples of: (1) Flowstone underlying and overgrowing Paleolithic cave art in Shulgan-Tash cave collected for U-series dating; (2) Stalagmites, collected in Shulgan-Tash and three more caves (Kulyurtamak, Victoria, Gryoz) for U-series dating and paleoclimate studies; (3) Cryogenic cave calcite collected in Shulgan-Tash and Victoria cave for U-series dating and paleoenvironmental studies. Numeric results of dating are NOT reported in this data set.
DOI: 10.17632/gjn3dthy2b.1
title: Stereoselective Synthesis of a Composite Knot with Nine Crossings

description: Spectroscopic data of 'Stereoselective Synthesis of a Composite Knot with Nine Crossings'. Mass spectrometric data in zip file.
DOI: 10.17632/xs8zthsm33.1
title: Compilation of 14C ages from Palaeolithic site Shulgan-Tash (Kapova) Cave, Southern Ural, Russia

description: Shulgan-Tash (a.k.a. Kapova) cave in Southern Ural, Russia is the easternmost European cave art monument of late Palaeolithic age. The data set contains 10 radiocarbon age dates from the cave published by different researchers between 1996-2016. Most of the dates were reported in difficult-to-access internal reports or proceedings, in Russian language. In many later re-publications the data were presented without explicit mentioning of whether or not the reported dates are calibrated and, sometimes, contained errors. This has led to “contamination” of the scientific record with non-calibrated 14C ages presented and interpreted (explicitly or implicitly) as calendar years. In this data set all available 14C ages from Shulgan-Tash cave are reported according to the standards of radiocarbon age presentation.
DOI: 10.5281/zenodo.1293927
title: Berger Dope Simulations (Versions 1 And 2) 271 K - De Vries Repulsive H

description: Two Berger-based DOPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was converted from an equilibrated DOPC membrane simulated with the GROMOS-CKP force field. The DOPE parameters were constructed following the approach used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), and so include a small repulsive potential on the explicit hydrogen atoms.
DOI: 10.5281/zenodo.1293928
title: Berger Dope Simulations (Versions 1 And 2) 271 K - De Vries Repulsive H

description: Two Berger-based DOPE bilayer simulations performed using GROMACS 4.0.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions with a dispersion correction. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was converted from an equilibrated DOPC membrane simulated with the GROMOS-CKP force field. The DOPE parameters were constructed following the approach used by de Vries et al (https://pubs.acs.org/doi/abs/10.1021/jp0366926), and so include a small repulsive potential on the explicit hydrogen atoms.
DOI: 10.5517/ccdc.csd.cc1njl70
title: CCDC 1535282: Experimental Crystal Structure Determination

description: Related Article: Alexander N. Semenenko, Nikolay L. Babak, Svitlana V. Shishkina, Vladimir I. Musatov, Alexander V. Mazepa, Victoria V. Lipson|2018|J.Mol.Struct.|1171|605|doi:10.1016/j.molstruc.2018.06.009
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.cc1njl81
title: CCDC 1535283: Experimental Crystal Structure Determination

description: Related Article: Alexander N. Semenenko, Nikolay L. Babak, Svitlana V. Shishkina, Vladimir I. Musatov, Alexander V. Mazepa, Victoria V. Lipson|2018|J.Mol.Struct.|1171|605|doi:10.1016/j.molstruc.2018.06.009
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.cc1pfgwg
title: CCDC 1562086: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pfgxh
title: CCDC 1562087: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pfgyj
title: CCDC 1562088: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pfgzk
title: CCDC 1562089: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pfh0m
title: CCDC 1562090: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pfh1n
title: CCDC 1562091: Experimental Crystal Structure Determination

description: Related Article: Zhi-Peng Zhao, Kai Zheng, Hao-Ran Li, Cheng-Hui Zeng, Shengliang Zhong, Seik Weng Ng, Yanqiong Zheng, Yun Chen|2018|Inorg.Chim.Acta|482|340|doi:10.1016/j.ica.2018.06.027
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.cc1pkgb1
title: CCDC 1565913: Experimental Crystal Structure Determination

description: Related Article: Xin Zhang,  Brandon L. Frey,  Yu-Sheng Chen,  Jian Zhang|2018|J.Am.Chem.Soc.|140|7710|doi:10.1021/jacs.8b04277
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.cc1pkgc2
title: CCDC 1565914: Experimental Crystal Structure Determination

description: Related Article: Xin Zhang,  Brandon L. Frey,  Yu-Sheng Chen,  Jian Zhang|2018|J.Am.Chem.Soc.|140|7710|doi:10.1021/jacs.8b04277
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.