cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n.1
title: 4-ethynyl-N,N-dimethylaniline
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3, and canonical SMILES descriptor[cheminf_000007]: C#Cc1ccc(cc1)N(C)C, and by the IUPAC name[cheminf_000107]: 4-ethynyl-N,N-dimethylaniline. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-35937 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 150.4 (Cq), 133.2 (2C, CH), 111.7 (2C, CH), 108.8 (Cq), 84.8 (Cq), 74.7 (Cq), 40.2 (2C, CH3).
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.38–7.36 (m, 2H), 6.64–6.60 (m, 2H), 2.98 (s, 7H).
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/zwmaylmvfscmms-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (4-ethynyl-N,N-dimethylaniline)
title: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.57841/casdc.0002962
title: 湿压缩对超临界空气离心式压缩机影响的数值研究
DOI: 10.15151/esrf-dc-1388445221
title: SAXS data related to the manuscript "Morphological analysis of polydisperse nanoplatelets using SAXS"

description: In the work related to this dataset, we propose a fast and quantitative method for the in situ characterization of dispersions of polydisperse nanoplatelets on the example of graphene nanoplatelets (GNPs) and gibbsite. The method relies on synchrotron small-angle X-ray scattering (SAXS). The SAXS data are fitted with a polydisperse form factor for platelets, which yields size distributions in both thickness and radius.
DOI: 10.5281/zenodo.10068594
title: Test datasets for iwc workflow : Assembly with HiC phasing VGP4
DOI: 10.5281/zenodo.10068595
title: Test datasets for iwc workflow : Assembly with HiC phasing VGP4
DOI: 10.6084/m9.figshare.24486157
title: Cooperatives Loan

description: This research proposes a credit score model for cooperatives using machine learning. Until now, there is no standard credit score assessment in savings and loan cooperatives in Indonesia. There are still many savings and loan cooperatives that provide loans due to closeness to the management or manager of the cooperative. The purpose of this research is to obtain a credit scoring method through machine learning that is effective, efficient and high accuracy.To predict the chance of default, this research uses seven machine learning algorithms namely Logistic Regression Classifier, Support Vector Machine Classifier, K-Neighbors Classifier, Decision Tree Classifier, Random Forest Classifier, XGBoost Classifier, and Light Gradient Boosting Machine Classifier. The data taken from the loan data of 851 members of Bank BPD Jateng "Yakekar" Cooperative, Semarang, Indonesia.The results show that Logistic Regression, Support Vector Machine Classifier, and K-Neighbors Classifier are the models that have relatively better performance in identifying 'Current' collectibility. However, all models have difficulty in classifying other collectibility ('Bad' and 'Doubtful') with low precision and recall.
DOI: 10.15151/esrf-dc-1388443717
title: SAXS data related to the manuscript "Morphological analysis of polydisperse nanoplatelets using SAXS"

description: In the work related to this dataset, we propose a fast and quantitative method for the in situ characterization of dispersions of polydisperse nanoplatelets on the example of graphene nanoplatelets (GNPs) and gibbsite. The method relies on synchrotron small-angle X-ray scattering (SAXS). The SAXS data are fitted with a polydisperse form factor for platelets, which yields size distributions in both thickness and radius.
DOI: 10.6084/m9.figshare.24494878
title: Carbonate system data in the SYS and ECS.zip

description: Dataset for the carbonate system parameters observed in the southern Yellow Sea and the East China Sea during winter of 2020 and spring of 2021
DOI: 10.6084/m9.figshare.24494878.v1
title: Carbonate system data in the SYS and ECS.zip

description: Dataset for the carbonate system parameters observed in the southern Yellow Sea and the East China Sea during winter of 2020 and spring of 2021
DOI: 10.6084/m9.figshare.21516142
title: Designing empirical experiments to compare interactive multiobjective optimization methods

description: Interactive multiobjective optimization methods operate iteratively so that a decision maker directs the solution process by providing preference information, and only solutions of interest are generated. These methods limit the amount of information considered in each iteration and support the decision maker in learning about the trade-offs. Many interactive methods have been developed, and they differ in technical aspects and the type of preference information used. Finding the most appropriate method for a problem to be solved is challenging, and supporting the selection is crucial. Published research lacks information on the conducted experiments’ specifics (e.g. questions asked), making it impossible to replicate them. We discuss the challenges of conducting experiments and offer realistic means to compare interactive methods. We propose a novel questionnaire and experimental design and, as proof of concept, apply them in comparing two methods. We also develop user interfaces for these methods and introduce a sustainability problem with multiple objectives. The proposed experimental setup is reusable, enabling further experiments.
DOI: 10.6084/m9.figshare.21505070
title: A mixed-integer programming model for identifying intuitive ambulance dispatching policies

description: Markov decision process models and algorithms can be used to identify optimal policies for dispatching ambulances to spatially distributed customers, where the optimal policies indicate the ambulance to dispatch to each customer type in each state. Since the optimal solutions are dependent on Markov state variables, they may not always correspond to a simple set of rules when implementing the policies in practice. Restricted policies that conform to a priority list for each type of customer may be desirable for use in practice, since such policies are transparent, explainable, and easy to implement. A priority list policy is an ordered list of ambulances that indicates the preferred order to dispatch the ambulances to a customer type subject to ambulance availability. This paper proposes a constrained Markov decision process model for identifying optimal priority list policies that is formulated as a mixed integer programming model, does not extend the Markov state space, and can be solved using standard algorithms. A series of computational examples illustrate the benefit of intuitive policies. The optimal mixed integer programming solutions to the computational examples have objective function values that are close to those of the unrestricted model and are superior to those of heuristics.
DOI: 10.6084/m9.figshare.21516142.v1
title: Designing empirical experiments to compare interactive multiobjective optimization methods

description: Interactive multiobjective optimization methods operate iteratively so that a decision maker directs the solution process by providing preference information, and only solutions of interest are generated. These methods limit the amount of information considered in each iteration and support the decision maker in learning about the trade-offs. Many interactive methods have been developed, and they differ in technical aspects and the type of preference information used. Finding the most appropriate method for a problem to be solved is challenging, and supporting the selection is crucial. Published research lacks information on the conducted experiments’ specifics (e.g. questions asked), making it impossible to replicate them. We discuss the challenges of conducting experiments and offer realistic means to compare interactive methods. We propose a novel questionnaire and experimental design and, as proof of concept, apply them in comparing two methods. We also develop user interfaces for these methods and introduce a sustainability problem with multiple objectives. The proposed experimental setup is reusable, enabling further experiments.
DOI: 10.6084/m9.figshare.21505070.v1
title: A mixed-integer programming model for identifying intuitive ambulance dispatching policies

description: Markov decision process models and algorithms can be used to identify optimal policies for dispatching ambulances to spatially distributed customers, where the optimal policies indicate the ambulance to dispatch to each customer type in each state. Since the optimal solutions are dependent on Markov state variables, they may not always correspond to a simple set of rules when implementing the policies in practice. Restricted policies that conform to a priority list for each type of customer may be desirable for use in practice, since such policies are transparent, explainable, and easy to implement. A priority list policy is an ordered list of ambulances that indicates the preferred order to dispatch the ambulances to a customer type subject to ambulance availability. This paper proposes a constrained Markov decision process model for identifying optimal priority list policies that is formulated as a mixed integer programming model, does not extend the Markov state space, and can be solved using standard algorithms. A series of computational examples illustrate the benefit of intuitive policies. The optimal mixed integer programming solutions to the computational examples have objective function values that are close to those of the unrestricted model and are superior to those of heuristics.
DOI: 10.25345/c5ng4h31s
title: MassIVE MSV000093286 - GNPS - Pseudoalteromonas and Phaeobacter coexistence study
title: Study involving two marine bacteria, Pseudoalteromonas piscicida and a Phaeobacter sp., both isolated from Jyllinge Harbor, Zealand, Denmark. Processed files from MZmine for FBMN are included as well as the metadata.
DOI: 10.5281/zenodo.10068425
title: Machine Learning Dataset for Rabies Diagnosis and Outbreak Prediction

description:  .
DOI: 10.5281/zenodo.10068426
title: Machine Learning Dataset for Rabies Diagnosis and Outbreak Prediction
DOI: 10.5281/zenodo.10068758
title: Machine Learning Dataset for Rabies Diagnosis and Outbreak Prediction

description:  .
DOI: 10.6084/m9.figshare.24494953
title: Differential effects of lipid bilayers on αPSM peptide functional amyloid formation

description: Phenol-soluble modulins (PSM) are key virulence factors of <i>S. aureus </i>and they comprise the structural scaffold of biofilm as they self-assemble into functional amyloids. They have been shown to interact with cell membranes as they display toxicity towards human cells through cell lysis with αPSM3 being the most cytotoxic. Besides causing cell lysis in mammalian cells PSMs have also been shown to interact with bacterial cell membranes through antimicrobial effects. Here, we present a study on the effects of lipid bilayers on the aggregation mechanism of αPSM using chemical kinetics to study the effects of lipid vesicles on the aggregation kinetics and using CD, FTIR and TEM to investigate the corresponding secondary structure of the aggregates. We find that the effects of lipid bilayers on αPSM aggregation are not homogeneous between lipid type and αPSM peptides although none of the lipids caused changes in the dominating aggregation mechanism. In the case of αPSM3 all types of lipids slowed down aggregation to a varying degree with DOPC having the most pronounced effect. For αPSM1 lipids have opposite effects where DOPC decelerated aggregation and LPS accelerated the aggregation while DOPG had no effect. For αPSM4 both DOPG and LPS accelerated the aggregation but only at high concentration while DOPC showed no effect. None of the lipids were capable of inducing aggregation of αPSM2. Our data reveal a complex interaction pattern between PSMs peptides and lipid bilayers that causes changes in the aggregation kinetics by affecting different kinetic parameters along with only subtle changes in morphology.
DOI: 10.6084/m9.figshare.24494953.v1
title: Differential effects of lipid bilayers on αPSM peptide functional amyloid formation

description: Phenol-soluble modulins (PSM) are key virulence factors of <i>S. aureus </i>and they comprise the structural scaffold of biofilm as they self-assemble into functional amyloids. They have been shown to interact with cell membranes as they display toxicity towards human cells through cell lysis with αPSM3 being the most cytotoxic. Besides causing cell lysis in mammalian cells PSMs have also been shown to interact with bacterial cell membranes through antimicrobial effects. Here, we present a study on the effects of lipid bilayers on the aggregation mechanism of αPSM using chemical kinetics to study the effects of lipid vesicles on the aggregation kinetics and using CD, FTIR and TEM to investigate the corresponding secondary structure of the aggregates. We find that the effects of lipid bilayers on αPSM aggregation are not homogeneous between lipid type and αPSM peptides although none of the lipids caused changes in the dominating aggregation mechanism. In the case of αPSM3 all types of lipids slowed down aggregation to a varying degree with DOPC having the most pronounced effect. For αPSM1 lipids have opposite effects where DOPC decelerated aggregation and LPS accelerated the aggregation while DOPG had no effect. For αPSM4 both DOPG and LPS accelerated the aggregation but only at high concentration while DOPC showed no effect. None of the lipids were capable of inducing aggregation of αPSM2. Our data reveal a complex interaction pattern between PSMs peptides and lipid bilayers that causes changes in the aggregation kinetics by affecting different kinetic parameters along with only subtle changes in morphology.
DOI: 10.4121/728a07f5-d9b0-468e-81c2-674a622221e7
title: Data underlying the publication: Diverse cropping systems lead to higher larval mortality of the cabbage root fly (Delia radicum)

description: This data belongs to the paper published in Journal of Pest Science, with the title: Diverse cropping systems lead to higher larval mortality of the cabbage root fly (Delia radicum). See the published paper and the readme files for information on methods, techniques and other relevant information.<br>Abstract:We studied how different diversified cropping systems affected the oviposition and abundance of the specialist cabbage root fly Delia radicum, the most important root herbivore in Brassica crops. The cropping systems included a monoculture, pixel cropping, and four variations of strip cropping with varying intra- and interspecific crop diversity, fertilization and spatial configuration. Furthermore, we assessed whether there was a link between D. radicum and other macroinvertebrates associated with the same plants. Cabbage root fly oviposition was higher in strip cropping designs compared to the monoculture and was highest in the most diversified strip cropping design. Despite the large number of eggs, there were no consistent differences in the number of larvae and pupae between the cropping systems, indicative of high mortality of D. radicum eggs and early instars especially in the strip cropping designs. D. radicum larval and pupal abundance positively correlated with soil-dwelling predators and detritivores and negatively correlated with other belowground herbivores. We found no correlations between the presence of aboveground insect herbivores and the number of D. radicum on the roots. Our findings indicate that root herbivore presence is determined by a complex interplay of many factors, spatial configuration of host plants, and other organisms residing near the roots.<br>
DOI: 10.4121/728a07f5-d9b0-468e-81c2-674a622221e7.v1
title: Data underlying the publication: Diverse cropping systems lead to higher larval mortality of the cabbage root fly (Delia radicum)

description: This data belongs to the paper published in Journal of Pest Science, with the title: Diverse cropping systems lead to higher larval mortality of the cabbage root fly (Delia radicum). See the published paper and the readme files for information on methods, techniques and other relevant information.<br>Abstract:We studied how different diversified cropping systems affected the oviposition and abundance of the specialist cabbage root fly Delia radicum, the most important root herbivore in Brassica crops. The cropping systems included a monoculture, pixel cropping, and four variations of strip cropping with varying intra- and interspecific crop diversity, fertilization and spatial configuration. Furthermore, we assessed whether there was a link between D. radicum and other macroinvertebrates associated with the same plants. Cabbage root fly oviposition was higher in strip cropping designs compared to the monoculture and was highest in the most diversified strip cropping design. Despite the large number of eggs, there were no consistent differences in the number of larvae and pupae between the cropping systems, indicative of high mortality of D. radicum eggs and early instars especially in the strip cropping designs. D. radicum larval and pupal abundance positively correlated with soil-dwelling predators and detritivores and negatively correlated with other belowground herbivores. We found no correlations between the presence of aboveground insect herbivores and the number of D. radicum on the roots. Our findings indicate that root herbivore presence is determined by a complex interplay of many factors, spatial configuration of host plants, and other organisms residing near the roots.<br>
DOI: 10.34740/kaggle/dsv/6871631
title: Egypt Gold Prices | Daily Updated
DOI: 10.5281/zenodo.10055462
title: Mont Blanc ice core data for NH3 source investigation in Europe

description: Dataset to interpret the δ15N(NH4+) in a Mont Blanc ice core
DOI: 10.5281/zenodo.10055461
title: Mont Blanc ice core data for NH3 source investigation in Europe

description: Dataset to interpret the δ15N(NH4+) in a Mont Blanc ice core
DOI: 10.60522/o:5484
title: GaitRec-VR: 3D Gait Analysis of Healthy Walks Overground and in Virtual Reality

description: This data descriptor introduces GaitRec-VR, a 3D gait analysis dataset consisting of 20 healthy participants (9 males, 11 females, age range 21-56) walking at self-selected speeds in a real-world laboratory and the virtual reality (VR) replicas of this laboratory. Utilizing a head-mounted display and a 12-camera motion capture system alongside a synchronized force plate, the dataset encapsulates real and virtual walking experiences. A direct kinematic model and an inverse dynamic approach were employed for kinematics and computation of joint moments respectively, with an average of 23 ± 6 steps for kinematics and five clean force plate strikes per participant for kinetic analysis. GaitRec-VR facilitates a deeper understanding of human movement in virtual environments, particularly focusing on dynamic balance during walking in healthy adults, crucial for effective VR applications in clinical settings. The dataset, available in both .c3d and .csv formats, allows further exploration into VR's impact on gait, bridging the gap between physical and virtual locomotion.
DOI: 10.1285/i22840753n3p103
title: Il conflitto ambientale nell'agenda mediatica. Il caso Ilva

description: The environmental conflict in the media agenda. The case of Ilva. On July, 26th a judge of the Public Prosecutor's Office in Taranto had signed the order of seizure for the largest steel plant of Europe, the ILVA, because it produces "sickness and death". Environmental conflict is unprecedented in Italy's history. Immediately, branches of governement clashed with lobbyists about the causes and duties. The government of Prime Minister Mario Monti and Confindustria (the Italian employers' federation) support the excecutive board of Ilva, on the other hand civic committees and the majority of the citizens support the Public Prosecutor's Office. A lot of managers of the plant were arrested and the Steel-based capitalism system of Italy was shaken down to its deepest roots cause the three strand of investigation. The local political class was overtaken by the events. In the following essay, the evolution of the jurisdiction's conflict between executive and judiciary powers has been left out deliberately, to preserve the economy of the written. As the same the political-economical and union conflicts were overlooked in this dissertation. I decided to focus on the plan of analysis and research, choosing to investigate the media dimension of the Ilva's conflict, above all I am interested on the precious moments this issue obtain a international dimension