cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc24zpxr
title: CCDC 1995715: Experimental Crystal Structure Determination

description: Related Article: Xiaodan Ding, Daniel K. Unruh, Ryan H. Groeneman, Kristin M. Hutchins|2020|Chemical Science|11|7701|doi:10.1039/D0SC02795B
DOI: 10.5517/ccdc.csd.cc24zpys
title: CCDC 1995716: Experimental Crystal Structure Determination

description: Related Article: Xiaodan Ding, Daniel K. Unruh, Ryan H. Groeneman, Kristin M. Hutchins|2020|Chemical Science|11|7701|doi:10.1039/D0SC02795B
DOI: 10.5517/ccdc.csd.cc24zpzt
title: CCDC 1995717: Experimental Crystal Structure Determination

description: Related Article: Xiaodan Ding, Daniel K. Unruh, Ryan H. Groeneman, Kristin M. Hutchins|2020|Chemical Science|11|7701|doi:10.1039/D0SC02795B
DOI: 10.5517/ccdc.csd.cc24v1z1
title: CCDC 1991253: Experimental Crystal Structure Determination

description: Related Article: Deb Pratim Mukhopadhyay, Domenik Schleier, Sara Wirsing, Jacqueline Ramler, Dustin Kaiser, Engelbert Reusch, Patrick Hemberger, Tobias Preitschopf, Ivo Krummenacher, Bernd Engels, Ingo Fischer, Crispin Lichtenberg|2020|Chemical Science|11|7562|doi:10.1039/D0SC02410D
DOI: 10.5517/ccdc.csd.cc252x06
title: CCDC 1998787: Experimental Crystal Structure Determination

description: Related Article: Elena Lucenti, Alessandra Forni, Andrea Previtali, Daniele Marinotto, Daniele Malpicci, Stefania Righetto, Clelia Giannini, Tersilla Virgili, Piotr Kabacinski, Lucia Ganzer, Umberto Giovanella, Chiara Botta, Elena Cariati|2020|Chemical Science|11|7599|doi:10.1039/D0SC02459G
DOI: 10.5517/ccdc.csd.cc252x17
title: CCDC 1998788: Experimental Crystal Structure Determination

description: Related Article: Elena Lucenti, Alessandra Forni, Andrea Previtali, Daniele Marinotto, Daniele Malpicci, Stefania Righetto, Clelia Giannini, Tersilla Virgili, Piotr Kabacinski, Lucia Ganzer, Umberto Giovanella, Chiara Botta, Elena Cariati|2020|Chemical Science|11|7599|doi:10.1039/D0SC02459G
DOI: 10.5517/ccdc.csd.cc252x28
title: CCDC 1998789: Experimental Crystal Structure Determination

description: Related Article: Elena Lucenti, Alessandra Forni, Andrea Previtali, Daniele Marinotto, Daniele Malpicci, Stefania Righetto, Clelia Giannini, Tersilla Virgili, Piotr Kabacinski, Lucia Ganzer, Umberto Giovanella, Chiara Botta, Elena Cariati|2020|Chemical Science|11|7599|doi:10.1039/D0SC02459G
DOI: 10.17632/pcypd8y9v2.1
title: Data for: Delta-9-THC exposure during zebra finch sensorimotor vocal learning increases cocaine reinforcement in adulthood

description: Zebra finch cocaine-reinforced place conditioning and developmental THC sensitization of this effect.
DOI: 10.5281/zenodo.3384590
title: Global nitrous oxide fluxes estimated using atmospheric inversions

description: Nitrous oxide emissions are presented from three independent atmospheric inversion frameworks. The frameworks are: 1) INVICAT: an inversion using the atmospheric transport model, TOMCAT and a 4D-Var optimisation method; 2) JAMSTEC: an inversion using the MIROC4-ACTM atmospheric transport model and a Bayesian analytical optimisation method; and 3) PYVAR: an inversion using the LMDZ5 atmospheric transport model and a 4D-var optimisation method. The emissions were optimised monthly and have been re-gridded from the model native resolution to 1.0 by 1.0 degrees. The files for TOMCAT and LMDZ5 (i.e. the inversion frameworks INVICAT and PYVAR, respectively) contain two flux variables: 1) the prior fluxes as estimated a priori, and 2) the posterior fluxes as estimated by the inversion. The file for the JAMSTEC inversion, contains five flux variables: 1) flux_apri_land: the prior fluxes over land, 2) flux_apri_ocean: the prior fluxes over ocean, 3) flux_apri_fossil: the prior estimate of emissions from combustion, 4) flux_apos_land: posterior fluxes over land estimated by the inversion, and 5) flux_apos_ocean: the posterior fluxes over ocean estimated by the inversion. Note that flux_apri_fossil was not optimised in the inversion but for the total posterior N<sub>2</sub>O emission, needs to be added to the flux_apos_ocean and flux_apos_land variables.
description: {"references": ["Thompson, R. L. et al. Nitrous oxide emissions 1999 to 2009 from a global atmospheric inversion, Atmos. Chem. Phys. 14, 1801-1817 (2014)", "Wilson, C. et al. Development of a variational flux inversion system (INVICAT v1.0) using the TOMCAT chemical transport model. Geosci Model Dev 7(5), 2485\u20132500 (2014)", "Patra, P. K. et al. Improved Chemical Tracer Simulation by MIROC4.0-based Atmospheric Chemistry-Transport Model (MIROC4-ACTM). SOLA 14, 91\u201396 (2018)."]}
DOI: 10.5281/zenodo.3384591
title: Global nitrous oxide fluxes estimated using atmospheric inversions

description: Nitrous oxide emissions are presented from three independent atmospheric inversion frameworks. The frameworks are: 1) INVICAT: an inversion using the atmospheric transport model, TOMCAT and a 4D-Var optimisation method; 2) JAMSTEC: an inversion using the MIROC4-ACTM atmospheric transport model and a Bayesian analytical optimisation method; and 3) PYVAR: an inversion using the LMDZ5 atmospheric transport model and a 4D-var optimisation method. The emissions were optimised monthly and have been re-gridded from the model native resolution to 1.0 by 1.0 degrees. The files for TOMCAT and LMDZ5 (i.e. the inversion frameworks INVICAT and PYVAR, respectively) contain two flux variables: 1) the prior fluxes as estimated a priori, and 2) the posterior fluxes as estimated by the inversion. The file for the JAMSTEC inversion, contains five flux variables: 1) flux_apri_land: the prior fluxes over land, 2) flux_apri_ocean: the prior fluxes over ocean, 3) flux_apri_fossil: the prior estimate of emissions from combustion, 4) flux_apos_land: posterior fluxes over land estimated by the inversion, and 5) flux_apos_ocean: the posterior fluxes over ocean estimated by the inversion. Note that flux_apri_fossil was not optimised in the inversion but for the total posterior N<sub>2</sub>O emission, needs to be added to the flux_apos_ocean and flux_apos_land variables.
description: {"references": ["Thompson, R. L. et al. Nitrous oxide emissions 1999 to 2009 from a global atmospheric inversion, Atmos. Chem. Phys. 14, 1801-1817 (2014)", "Wilson, C. et al. Development of a variational flux inversion system (INVICAT v1.0) using the TOMCAT chemical transport model. Geosci Model Dev 7(5), 2485\u20132500 (2014)", "Patra, P. K. et al. Improved Chemical Tracer Simulation by MIROC4.0-based Atmospheric Chemistry-Transport Model (MIROC4-ACTM). SOLA 14, 91\u201396 (2018)."]}
DOI: 10.17632/mbmd6fstjh.1
title: Data for: Dispositional Mindfulness Predicts Cortisol, Cardiovascular, and Psychological Stress Responses in Adolescence
DOI: 10.17632/vs884zxvn3.1
title: Institutional moderation: the next generation

description: A description
DOI: 10.17894/ucph.51d7ef85-1b1f-43e2-9ab1-83025c749ea5
title: TASTI field data
DOI: 10.5061/dryad.1rk753f/1
title: Dryad Item 10.5061/DRYAD.1RK753F/1

description: (:tba)
DOI: 10.5517/ccdc.csd.cc21r7y0
title: CCDC 1899182: Experimental Crystal Structure Determination

description: Related Article: Z. Li, P. Yang, H. Liu, J. Liu, S. Zhu, X. Li, W. Zhuang, J. Wu, H. Ying|2020|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|76|524|doi:10.1107/S2052520620006265
DOI: 10.5517/ccdc.csd.cc21r803
title: CCDC 1899184: Experimental Crystal Structure Determination

description: Related Article: Z. Li, P. Yang, H. Liu, J. Liu, S. Zhu, X. Li, W. Zhuang, J. Wu, H. Ying|2020|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|76|524|doi:10.1107/S2052520620006265
DOI: 10.25532/opara-37
title: NAD(P)H/FAD FLIM data D. melanogaster tissues
DOI: 10.17632/7vs546y5ky.1
title: Data for: Chronic Inflammation Is Associated with Neural Responses to Faces in Bangladeshi Children
DOI: 10.5517/ccdc.csd.cc21hrkw
title: CCDC 1891978: Experimental Crystal Structure Determination

description: Related Article: M. Chahkandi, A. Keivanloo Shahrestanaki, M. Mirzaei, M. Nawaz Tahir, J.T. Mague|2020|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|76|591|doi:10.1107/S2052520620006472
DOI: 10.14457/cu.the.2011.147
title: Fabrication of silver ion selective electrodes and their applications in biosensors

description: Six calix[4]arene derivatives containing various donor atoms and different topology (L1 – L6) have been synthesized and used as neutral ionophores to fabricate silver ion selective electrodes (Ag-ISEs). The characteristics of six synthesized ionophores in polymeric membranes were compared in order to find the best one in terms of potentiometric selectivities and complex formation constants. The electrode based on L2 containing two benzothiazole groups showed the highest selectivity coefficient towards Ag+ which resulted from two nitrogen and two sulfur donor atoms of benzothiazole groups forming a stronger complex with Ag+ yielding a high complex formation constant. L2 was optimized in polymeric membrane to obtain the best characteristics of Ag-ISE using L2 (10 mmol kg⁻¹) and KTpClPB (50 mol% related to the ionophore) in the o-NPOE plasticized PVC membrane (1:2; PVC:o-NPOE by weight). The Ag-ISE fabricated from ionophore L2 exhibited good properties with a Nernstian response (59.7 ± 0.8 mV decade⁻¹ for macroelectrode and 59.8 ± 1.0 mV decade⁻¹ for microelectrode) with a low detection limit (ca. 5.0 x 10⁻⁷ M) and a wide linear working range (10⁻⁶ to 10⁻² M). The sensors could be used in a wide pH range (pH 2 – 8) with a response time less than 5 seconds. The electrodes were used as an indicator electrode for the argentometric titration of the mixture of Cl⁻ and Br⁻. The fabricated electrodes were also used for the ﬁrst time in speciation analysis of silver nanoparticles (AgNPs) with good accuracy and precision. The macroelectrode fabricated from L2 was then applied in glucose biosensor by using AgNPs as cation marker. Basically, the enzyme-substrate reaction between β-D-glucose and glucose oxidase (GOx) produced hydrogen peroxide (H2O2) as a product. The generated H2O2 was able to oxidize AgNPs to free Ag+. The amount of Ag+ corresponded to the concentration of glucose could be directly monitored using the Ag-ISE. The working linear range was 0.1 – 3 mM in 10 mM magnesium acetate buffer pH 6.0. Parameters affected the reaction rate such as pH and the amount of GOx and AgNPs were explored. The lower detection limit was 1.0 x 10⁻⁵ M. The proposed sensor provided a double selective function and could be used to determine glucose in beverages with good accuracy and precision. The fabricated microelectrode from L2 was used to determine Ag+ in 1000 µL sample with the detection limit around 1 µM using sodium ion selective microelectrode as pseudo reference electrode. Such potentiometric measurement was then applied to detect the DNA hybridization on gold substrates immobilized with lipoic acid modified by pyrrolidinyl peptide nucleic acid carrying a 2-aminocyclopentanecarboxylic acid (Lip-acpcPNA) probe by dissolution of positively charged encapped AgNPs with H2O2. The detection limit of DNA was 2 µM (20 pmol) in 1000 µL sample. This Lip-acpcPNA probe could discriminate fully complementary DNA, non-complementary DNA and single base mismatched DNA using the simple potentiometric method.
DOI: 10.14457/cu.the.2011.148
title: Polylactic acid/chitosan/polycaprolactone film for wound dressing

description: Doxycycline and monosodium glutamate (MSG) loaded CHI/PLA/PCL blendfilm was prepared by the modified spontaneous emulsification-solvent diffusion method. The results in this study clearly revealed that the blend film prepared could be possibly used as a device to deliver the active ingredients to the targeted human organ which in this case was the skin with an opened wound. From the film characteristic test, it was found that the CHI/PLA/PCL blend film containing 60% CHI, 28% PLA, and 12% PCL exhibited the good film properties for making the dressing device. Doxycycline/MSG loaded CHI/PLA/PCL blend film could rapidly deliver both doxycycline and MSG at the high release percentage approaching 100% of the amounts loaded. It was observed that MSG accelerated blood clotting and fibrin formation; thus, it demonstrated the good hemostatic activity. The antibacterial activity of doxycycline loaded CHI/PLA/PCL blend film against the gram positive Staphylococcus aureus and the gram negative Escherichia coli was also investigated. It was cleared that doxycycline released from the blend film played the crucial role in bacterial inhibition as observed from the lowest bacterial cell dry weight observed when compared with the control bacterial culture or the bacterial cultures with the presence of other film studied.
DOI: 10.14457/cu.the.2011.150
title: Bf2-curcumin-based and anthraquinone imidazole-based sensors for detection of nucleotides

description: A new fluorescence sensor (L1), based on BF2-Curcumin and dpa (bis (2-pyridylmethyl)amine) for detection of Zn2+and Cu2+ ions was synthesized. The sensor demonstrates the blue-shifted absorption band from 472 nm to 421 nm and the fluorescence quenching at 587 nm in acetonitrile after adding both metal ions. The dpa-Zn complex was expected to be used as chemosensor for detecting biological nucleoside polyphosphates in aqueous solution. Unfortunately, in aqueous system two Zn2+ ions upon dpa-Zn complex were released by water. Therefore, we developed the chemosensor containing pyrene and dpa-Zn complex (L2•Zn) for detection of nucleotide in aqueous solution. This sensor has a high selectivity for PPi in aqueous solution. In contrast for the case of DMSO:HEPES (0.01 M, pH 7.4 90:10 v/v), L2•Zn selectively bind to nucleoside polyphosphates such as ATP and UTP with a large fluorescence enhancement. The Principal Component Analysis (PCA) was used to discriminate between 10 nucleotides by two solvent systems. This approach was found to identify 10 analytes with 88% accuracy. To illustrate the utility of this approach for ATP hydrolysis application, the ratio between the product of reaction (PPi) and the reactant (ATP) can be used in quantitative identification of the PPi and ATP ratios.
DOI: 10.14457/cu.the.2011.151
title: Biochemical and structural characterization of levansucrase from bacillus licheniformis RN-01

description: Levansucrase (Ls) is a fructosyltransferase belonging to family 68 of glycosyltransferase using sucrose as a sole substrate to synthesize levan, a fructose polymer. Bacillus licheniformis RN-01, isolated from soil in Thailand was found to produce high Ls activity. In sucrose containing medium, Ls was detected mainly in culture medium and membrane-bound fraction. To characterize the enzyme, ls of B. licheniformis RN-01 was cloned. The nucleotide sequence of 1793 bp revealed a single open reading frame of 1446 bp and the putative endogenous promoter at 5' of the structural gene. The encoded amino acid sequence contained 482 amino acids with N-terminal signal peptide of 29 residues. The ls was expressed under two expression systems, the endogenous promoter and T7 promoter. The best condition to produce Ls from the strain RN-01 (LsRN) was the expression under putative promoter by E. coli Top-10 in 3xLB medium for 36 h. LsRN was purified by DEAE-and Butyl Toyopearl-650M. The optimal condition for catalysis was at 50oC in sodium citrate pH 6.0. The Km, kcat, and kcat / Km values were 9.12 mM, 86.0 s-1, and 9.43 mM-1s-1 for hydrolysis reaction, and 6.94 mM, 32.3 s-1 and 4.65 mM-1s-1 for transfructosylation reaction. The polymer synthesized by LsRN was identified as a levan by 13C-NMR. The Mw of levan was determined by HPLC, the reaction temperature and the addition of NaCl affected the size of levan. By rational mutagenesis, N251 was identified at +2 subsite. Mutation at this residue abolished the synthesis of levan polymer. By error prone PCR, the surface residue Y246 was involved in control of product size distribution. Mutation at this residue shifted the main product from levan polymer to oligomer. For applicable use, levan nanoparticles (NPs) were enzymatically synthesized and their ability to encapsulate O-acetyl-α-tocopherol was demonstrated.
DOI: 10.14457/cu.the.2011.152
title: Stability of polystyrene thin films containing copolymers and fe3o4 nanoparticles as additives

description: This research investigates efficiency of poly(styrene-stat-chloromethylstyrene (ClMS)) (P(S-ClX)) copolymers and Fe3O4 nanoparticles as dewetting inhibitors for polystyrene (PS) thin films of thickness less than 50 nm. Chloromethylstyrene (ClMS) ratios in the P(S-ClX) copolymers are 5, 20 and 45 mol% and the copolymer concentrations are controlled to provide 0.5, 1.0, 1.5 and 2.0% of ClMS group in thin films. Concentration of Fe3O4 nanoparticles are 0.05, 0.01, 0.02 and 0.03 wt%. The atomic force microscopy and optical microscopy are utilized to follow the morphological change of the blended and filled films upon annealing above their glass transition temperature. We have found that thermal stability of the PS films is greatly improved when small amount of the copolymers is added into the system, estimates 1 mol% of ClMS group. The polar ClMS groups provide anchoring sites with polar SiOx/Si substrate while the styrene segments favorably interact with PS matrix. The effectiveness of the copolymers as dewetting inhibitors is also found to vary with molar ratio of ClMS group in the copolymers and film thickness. For polystyrene (PS) thin film filled with magnetic Fe3O4 nanoparticles, the results indicate that the addition of Fe3O4 nanoparticles suppresses dewetting dynamics of the thin film coated on Si/SiOx solid substrate. The efficiency of Fe3O4 nanoparticles depend on film thickness and Fe3O4 concentration. We expect that Fe3O4 nanoparticles provide a pinning effect followed by a decrease in hydrodynamic fluid flow process during film rupture, which in turn leads to the increase of film stability.
DOI: 10.15128/r2pk02c977f
title: On Lagrangian mechanics and the material point method for large deformation elasto-plasticity [dataset]

description: Figure dataset for "On Lagrangian mechanics and the material point method for large deformation elasto-plasticity"
description: The material point method is ideally suited to modelling problems involving large deformations where conventional mesh-based methods would struggle. However, total and updated Lagrangian approaches are unsuitable and non-ideal, respectively, in terms formulating equilibrium for the method. This is due to the basis functions, and particularly the derivatives of the basis functions, of material point methods normally being defined based on an unformed, and sometimes regular, background mesh. It is possible to map the basis function spatial derivatives using the deformation at a material point but this introduces additional algorithm complexity and computational expense. This paper presents a new Lagrangian statement of equilibrium which is ideal for material point methods as it satisfies equilibrium on the undeformed background mesh at the start of a load step. The formulation is implemented using a quasi-static implicit algorithm which includes the derivation of the consistent tangent to achieve optimum convergence of the global equilibrium iterations. The method is applied to a number of large deformation elasto-plastic problems, with a specific focus of the convergence of the method towards analytical solutions with the standard, generalised interpolation and CPDI2 material point methods. For the generalised interpolation method, different domain updating methods are investigated and it is shown that all of the current methods are degenerative under certain simple deformation fields. A new domain updating approach is proposed that overcomes these issues. The proposed material point method framework can be applied to all existing material point methods and adopted for implicit and explicit analysis, however its advantages are mainly associated with the former.
description: material point method
description: finite element method
DOI: 10.5281/zenodo.3384961
title: Fibre Identification Blind Test dataset: Images of longitudinal and cross-section views of hemp, nettle, and flax fibres

description: Dataset produced by Denis Waudby while undertaking analysis of a sample of fibres presented to him as a blind test of a new fibre identification methodology designed to reduce subjectivity in fibre identification protocols for distinguishing bast fibres (specifically Hemp, Nettle, and Flax)
DOI: 10.5281/zenodo.3384962
title: Fibre Identification Blind Test dataset: Images of longitudinal and cross-section views of hemp, nettle, and flax fibres

description: Dataset produced by Denis Waudby while undertaking analysis of a sample of fibres presented to him as a blind test of a new fibre identification methodology designed to reduce subjectivity in fibre identification protocols for distinguishing bast fibres (specifically Hemp, Nettle, and Flax)
DOI: 10.14457/cu.the.2011.154
title: Development of enzyme-linked immunosorbent assay test kit for 1-aminohydantoin detection

description: CPAHD, a carboxyphenyl derivative of AHD, was prepared and conjugated to immunogenic carrier protein and used in mice immunization. After conventional somatic cell fusion technique, a monoclonal antibody (MAb), clone number 28/10E/8B/1E, was obtained. The antibody was found to be highly specific for nitrophenylbenzal-1-aminohydantoin (NPAHD) and exhibited high sensitivity with the 50% inhibition concentration (IC50) at 41.8 part per billion (ppb). This antibody showed specificity only against NPAHD, CPAHD and nitrofurantoin, and no cross reactivity to unrelated drugs was found. Using the partially purified antibody, the antibody captured competitive indirect ELISA format (biotinylated antibody) exhibited the best sensitivity with IC50 and limit of detection (LOD) values of 4.905 and 0.113 ppb. When applied ELISA to detect AHD in shrimp samples, the recovery rate are in the range of 85% – 118% for intra-assay and 98% – 111% for inter-assay. Analysis of AHD in fortified shrimp samples using the developed ELISA and LC-MS/MS was comparable. Detection capability (CCβ) of the developed ELISA was found to be 0.40 ppb.