cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.1436336
title: Product solubility control in cellooligosaccharide production by coupled cellobiose and cellodextrin phosphorylase

description: We provide here the underlying data of the scientific publication "Product solubility control in cellooligosaccharide production by coupled cellobiose and cellodextrin phosphorylase". Please find the abstract below: Soluble cellodextrins (linear β‐1,4‐D‐gluco‐oligosaccharides) have interesting<br> applications as ingredients for human and animal nutrition. Their bottom‐up synthesis<br> from glucose is promising for bulk production, but to ensure a completely watersoluble<br> product via degree of polymerization (DP) control (DP ≤ 6) is challenging.<br> Here, we show biocatalytic production of cellodextrins with DP centered at 3 to 6<br> (~96 wt.% of total product) using coupled cellobiose and cellodextrin phosphorylase.<br> The cascade reaction, wherein glucose was elongated sequentially from α‐glucose<br> 1‐phosphate (αGlc1‐P), required optimization and control at two main points. First,<br> kinetic and thermodynamic restrictions upon αGlc1‐P utilization (200 mM; 45°C,<br> pH 7.0) were effectively overcome (53% → ≥90% conversion after 10 hrs of reaction)<br> by in situ removal of the phosphate released via precipitation with Mg2+. Second, the<br> product DP was controlled by the molar ratio of glucose/αGlc1‐P (∼0.25; 50mM<br> glucose) used in the reaction. In optimized conversion, soluble cellodextrins in a total<br> product concentration of 36 g/L were obtained through efficient utilization of the<br> substrates used (glucose: 98%; αGlc1‐P: ∼80%) after 1 hr of reaction. We also showed<br> that, by keeping the glucose concentration low (i.e., 1–10 mM; 200mM αGlc1‐P), the<br> reaction was shifted completely towards insoluble product formation (DP ∼9–10). In<br> summary, this study provides the basis for an efficient and product DP‐controlled<br> biocatalytic synthesis of cellodextrins from expedient substrates.
DOI: 10.5281/zenodo.1436337
title: Product solubility control in cellooligosaccharide production by coupled cellobiose and cellodextrin phosphorylase

description: We provide here the underlying data of the scientific publication "Product solubility control in cellooligosaccharide production by coupled cellobiose and cellodextrin phosphorylase". Please find the abstract below: Soluble cellodextrins (linear β‐1,4‐D‐gluco‐oligosaccharides) have interesting<br> applications as ingredients for human and animal nutrition. Their bottom‐up synthesis<br> from glucose is promising for bulk production, but to ensure a completely watersoluble<br> product via degree of polymerization (DP) control (DP ≤ 6) is challenging.<br> Here, we show biocatalytic production of cellodextrins with DP centered at 3 to 6<br> (~96 wt.% of total product) using coupled cellobiose and cellodextrin phosphorylase.<br> The cascade reaction, wherein glucose was elongated sequentially from α‐glucose<br> 1‐phosphate (αGlc1‐P), required optimization and control at two main points. First,<br> kinetic and thermodynamic restrictions upon αGlc1‐P utilization (200 mM; 45°C,<br> pH 7.0) were effectively overcome (53% → ≥90% conversion after 10 hrs of reaction)<br> by in situ removal of the phosphate released via precipitation with Mg2+. Second, the<br> product DP was controlled by the molar ratio of glucose/αGlc1‐P (∼0.25; 50mM<br> glucose) used in the reaction. In optimized conversion, soluble cellodextrins in a total<br> product concentration of 36 g/L were obtained through efficient utilization of the<br> substrates used (glucose: 98%; αGlc1‐P: ∼80%) after 1 hr of reaction. We also showed<br> that, by keeping the glucose concentration low (i.e., 1–10 mM; 200mM αGlc1‐P), the<br> reaction was shifted completely towards insoluble product formation (DP ∼9–10). In<br> summary, this study provides the basis for an efficient and product DP‐controlled<br> biocatalytic synthesis of cellodextrins from expedient substrates.
DOI: 10.18716/nmrshiftdb2/2192
title: NMR data for Agonodepside B
DOI: 10.18716/nmrshiftdb2/2191
title: NMR data for (-)-Buxakarachiamine; (20S)-20-Dimethylamino-2'-hydroxy-3-methyl-3'-methyl-butanoylamino-9,10-seco-buxa-9(11),10(19)-dien-31-ol
DOI: 10.5255/ukda-sn-853403
title: Historic droughts inventory of references from British tabloid newspapers 1992-2014
DOI: 10.15129/bf6809d0-4849-4fd7-a283-916b5e765950
title: Bi-regional Scotland-rest of the UK Social Accounting Matrix

description: The bi-regional Scotland-RUK SAM has been developed through the ESRC Future of the UK and Scotland Initiative (Ref: ES/L003325/1)). This is based on a UK Industry by Industry (IxI) analytical Input-Output Table. Unfortunately, the UK Office for National Statistics (ONS) does not supply the Input-Output accounts for the UK in this form. Furthermore, ONS does not give access to a full set of Supply and Use tables that would enable the straightforward construction of the IxI table. The ONS only publishes a full Product by Product (PxP) IO table, a Use table and an incomplete Supply Table, where some of the entries are suppressed due to confidentiality issues.

The second step is to construct the SAM for Scotland. The starting point is the 2010 Input-Output Table for Scotland produced by the Scottish Government. Data from the households and government income accounts given by the Scottish National Accounts Programme are used to fill the sub-matrices of the SAM. These sources are sufficient to obtain a detailed SAM. However, the lack of data on the secondary distribution processes inhibits a proper assembly of the sub matrix of income transfers between institutions as against what is available for the UK. Therefore, where the information coming from the Scottish sources described above is not sufficient to split payments and receipts among institutions, we use shares derived from the UK SAM to determine the missing values.

Data available for download are the following:

    The Scottish SAM ,
    The UK analytical Table ,
    The UK SAM ,
    and the Scot-RUK SAM .
DOI: 10.18716/nmrshiftdb2/2193
title: NMR data for 9-(3-Hydroxy-3-methylpentanoyloxy)parthenolide
DOI: 10.18716/nmrshiftdb2/2195
title: NMR data for 2-O--L-arabinofuranosyl-3',5',6-trihydroxy-4-methoxybenzophenone; Annulatophenonoside
DOI: 10.5281/zenodo.3237822
title: Mock community REMEI

description: Mock community sequenced with Illumina for quality control purposes.
DOI: 10.5281/zenodo.3237823
title: Mock community REMEI

description: Mock community sequenced with Illumina for quality control purposes.
DOI: 10.18716/nmrshiftdb2/2196
title: NMR data for 5-Methoxy-6-oxa-benzo[def]chrysen-3-one
DOI: 10.18716/nmrshiftdb2/234
title: NMR data for warburganal
DOI: 10.5519/qd.m2b8lcp6
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (0 records)
DOI: 10.17632/kjzr7g74nk.1
title: Data for: Steering the propagation direction of a non-linear acoustic wave in a solid material

description: Ultrasonic data from non-collinear wave mixing experiments.
DOI: 10.18746/bmth.data.00000064
title: The contribution of visual attention and declining verbal memory abilities to age-related route learning deficits 2015-2018
DOI: 10.17632/6mp2c3jdbw.1
title: Data for: Hierarchical prediction based on two-level gaussian mixture model clustering for bike-sharing system
DOI: 10.5258/soton/d0949
title: Dataset supporting the article entitled "A Low-Energy Inductive Transceiver using Spike-Latency Encoding for Wireless 3D Integration"

description: This dataset supports the article entitled: 'A Low-Energy Inductive Transceiver using Spike-Latency Encoding for Wireless 3D Integration', accepted for publication in the ACM/IEEE International Symposium on Low Power Electronics and Design , Lausanne, 2019.
DOI: 10.5281/zenodo.3238274
title: CellSIUS provides sensitive and specific detection of rare cell populations from complex single cell RNA-seq data: Codes and processed data

description: Codes and processed data to reproduce the analysis discussed in: 

Wegmann <em>et Al.</em>,<strong> CellSIUS provides sensitive and specific detection of rare cell<br>
populations from complex single cell RNA-seq data</strong>, Genome Biology 2019 (Accepted)<br>
description: {"references": ["Wegmann et Al., CellSIUS provides sensitive and specific detection of rare cell populations from complex single cell RNA-seq data, Genome Biology 2019 (Accepted)"]}
DOI: 10.5281/zenodo.3238275
title: CellSIUS provides sensitive and specific detection of rare cell populations from complex single cell RNA-seq data: Codes and processed data

description: Codes and processed data to reproduce the analysis discussed in: 

Wegmann <em>et Al.</em>,<strong> CellSIUS provides sensitive and specific detection of rare cell<br>
populations from complex single cell RNA-seq data</strong>, Genome Biology 2019 (Accepted)<br>
description: {"references": ["Wegmann et Al., CellSIUS provides sensitive and specific detection of rare cell populations from complex single cell RNA-seq data, Genome Biology 2019 (Accepted)"]}
DOI: 10.17632/3cgdb4x3tc.1
title: Data for: Formation of mixed Eu(III)-CO3-fulvic acid complex: spectroscopic evidence and NICA-Donnan modeling

description: Isotherm of 10 µM Eu fixed to varying SRFA concentration or free in solution at pH ca. 7 and at equilibrium with total carbonate concentration of 10 mM
DOI: 10.6073/pasta/f9d643fa78847eaad7f2da0da2397ac4
title: Monthly precipitation data from a network of standard gauges at the Jornada Experimental Range in southern New Mexico, January 1916 - May 2019

description: This ongoing dataset contains monthly precipitation measurements from
  a network of standard can rain gauges at the Jornada Experimental
  Range in Dona Ana County, New Mexico, USA. Precipitation physically
  collects within gauges during the month and is manually measured with
  a graduated cylinder at the end of each month. This network is
  maintained by USDA Agicultural Research Service personnel. This
  dataset includes 39 different locations but only 29 of them are
  currently sampled. Other precipitation data exist for this area,
  including event-based tipping bucket data with timestamps, but do not
  go as far back in time as this dataset.
DOI: 10.17632/kjzr7g74nk.2
title: Data for: Steering the propagation direction of a non-linear acoustic wave in a solid material

description: Ultrasonic data from non-collinear wave mixing experiments.
DOI: 10.25387/g3.8014703
title: Supplemental Material for Arbeitman, 2019

description: Mouse Husbandry Table<br>
DOI: 10.25387/g3.8014703.v1
title: Supplemental Material for Arbeitman, 2019

description: Mouse Husbandry Table<br>
DOI: 10.5281/zenodo.3237420
title: POPC with 0, 10, 20, and 30 mol-% of cholesterol at 310 K. Charmm36 force field.

description: A POPC bilayer consisting of 200 lipids (100 per leaflet) is simulated in the presence of 0% (0 molecules), 10 % (22 molecules), 20 % (50 molecules), or 30 % (86 molecules) of cholesterol. The Charmm36 model [1] is employed for lipids and the Charmm-compatible variant of the tip3p model for water.

The Charmm36 force field parameters were obtained from CHARMM-GUI [2] at http://www.charmm-gui.org

*** IMPORTANT ***

This is a correction to an earlier dataset simulated with some missing dihedrals, see: DOI: 10.5281/zenodo.61649

––––––––––––––––––––––––––––––––––––––––––––––––––––––

The files are in GROMACS format. Trajectory (.xtc) is 100 ns long with data saved every 100 ps. Additionally, the initial structure (.gro), topology (.top), index file (.ndx), simulation paremeter file (.mdp), binary run input file for GROMACS v. 5.0–&gt; (.tpr) and the energy output file (.edr) are provided. 

UPDATE: Longer 500 ns trajectories are updated together with the checkpoint files.

––––––––––––––––––––––––––––––––––––––––––––––––––––––

[1] Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites,  Joseph W. O’Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D. MacKerell, Jr., and Richard W. Pastor

The Journal of Physical Chemistry B 2010 114 (23), 7830-7843

DOI: 10.1021/jp101759q

 

[2] CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Jumin Lee, Xi Cheng, Jason M. Swails, Min Sun Yeom, Peter K. Eastman, Justin A. Lemkul, Shuai Wei, Joshua Buckner, Jong Cheol Jeong, Yifei Qi, Sunhwan Jo, Vijay S. Pande, David A. Case, Charles L. Brooks, III, Alexander D. MacKerell, Jr., Jeffery B. Klauda, and Wonpil Im

Journal of Chemical Theory and Computation 2016 12 (1), 405-413

DOI: 10.1021/acs.jctc.5b00935
DOI: 10.7910/dvn/xiq0co/c35sdg
title: geo_small_cleaned.tab

description: :unav
DOI: 10.7910/dvn/xiq0co/l9w3bl
title: geo_self_cleaned.tab

description: :unav
DOI: 10.7910/dvn/xiq0co/shzudy
title: geo_self_codebook.tab

description: :unav
DOI: 10.17632/74zvns9m4j.1
title: Data for: A novel method for extracting information on pores from cast thin section images

description: They are three images of cast thin section (CTS) dyed by cyan-, blue- and magenta-epoxy, respectively. They can be used for extracting information on pores from cast thin section images.
DOI: 10.5281/zenodo.640858
title: POPC with 40 and 50 mol-% of cholesterol at 310 K. Charmm36 force field.

description: A POPC bilayer consisting of 200 lipids (100 per leaflet) is simulated in the presence of 40% (134 molecules) and 50 % (200 molecules) of cholesterol. The Charmm36 model [1] is employed for lipids and the Charmm-compatible variant of the tip3p model for water.

The Charmm36 force field parameters were obtained from CHARMM-GUI [2] at http://www.charmm-gui.org

––––––––––––––––––––––––––––––––––––––––––––––––––––––

The files are in GROMACS format. Trajectory (.xtc) is 100 ns long with data saved every 100 ps. Additionally, the initial structure (.gro), topology (.top), index file (.ndx), simulation paremeter file (.mdp), binary run input file for GROMACS v. 5.0–&gt; (.tpr) and the energy output file (.edr) are provided. 

UPDATE: Longer 500 ns trajectories are updated together with the checkpoint files.

––––––––––––––––––––––––––––––––––––––––––––––––––––––

[1] Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites,  Joseph W. O’Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D. MacKerell, Jr., and Richard W. Pastor

The Journal of Physical Chemistry B 2010 114 (23), 7830-7843

DOI: 10.1021/jp101759q

 

[2] CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Jumin Lee, Xi Cheng, Jason M. Swails, Min Sun Yeom, Peter K. Eastman, Justin A. Lemkul, Shuai Wei, Joshua Buckner, Jong Cheol Jeong, Yifei Qi, Sunhwan Jo, Vijay S. Pande, David A. Case, Charles L. Brooks, III, Alexander D. MacKerell, Jr., Jeffery B. Klauda, and Wonpil Im

Journal of Chemical Theory and Computation 2016 12 (1), 405-413

DOI: 10.1021/acs.jctc.5b00935
DOI: 10.7910/dvn/xiq0co/y2jjjx
title: geo_small_codebook.tab

description: :unav
DOI: 10.5281/zenodo.3238157
title: POPC with 40 and 50 mol-% of cholesterol at 310 K. Charmm36 force field.

description: A POPC bilayer consisting of 200 lipids (100 per leaflet) is simulated in the presence of 40% (134 molecules) and 50 % (200 molecules) of cholesterol. The Charmm36 model [1] is employed for lipids and the Charmm-compatible variant of the tip3p model for water.

The Charmm36 force field parameters were obtained from CHARMM-GUI [2] at http://www.charmm-gui.org

––––––––––––––––––––––––––––––––––––––––––––––––––––––

The files are in GROMACS format. Trajectory (.xtc) is 100 ns long with data saved every 100 ps. Additionally, the initial structure (.gro), topology (.top), index file (.ndx), simulation paremeter file (.mdp), binary run input file for GROMACS v. 5.0–&gt; (.tpr) and the energy output file (.edr) are provided. 

UPDATE: Longer 500 ns trajectories are updated together with the checkpoint files.

––––––––––––––––––––––––––––––––––––––––––––––––––––––

[1] Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites,  Joseph W. O’Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D. MacKerell, Jr., and Richard W. Pastor

The Journal of Physical Chemistry B 2010 114 (23), 7830-7843

DOI: 10.1021/jp101759q

 

[2] CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Jumin Lee, Xi Cheng, Jason M. Swails, Min Sun Yeom, Peter K. Eastman, Justin A. Lemkul, Shuai Wei, Joshua Buckner, Jong Cheol Jeong, Yifei Qi, Sunhwan Jo, Vijay S. Pande, David A. Case, Charles L. Brooks, III, Alexander D. MacKerell, Jr., Jeffery B. Klauda, and Wonpil Im

Journal of Chemical Theory and Computation 2016 12 (1), 405-413

DOI: 10.1021/acs.jctc.5b00935
DOI: 10.17632/2wg2d8765v.6
title: Data for: miR-141-5p regulate ATF2 via Effecting MAPK1/ERK1 Signaling To Promote Preeclampsia

description: miR-141-5p regulate ATF2 via Effecting MAPK1/ERK1 Signaling To Promote Preeclampsia
DOI: 10.7910/dvn/egmlqg/cnpr94
title: TABLE1data.tab

description: :unav
DOI: 10.5286/isis.e.rb1900162
title: In Situ Measurement of the Spin Seebeck Effect

description: The spin Seebeck effect (SSE) is a newly discovered phenomenon that if harnessed, could result in a significant improvement of the efficiency of thermoelectric generators. The SSE is the generation of a spin polarised current when a magnetic material is subjected to a temperature gradient and is typically measured indirectly using the inverse spin Hall effect. Polarised neutron reflectivity can provide complementary data that enable determination of the spin polarisation of the film and the magnetic ordering at the surface and interface. This is especially important as the influence of the interface is still not well understood.We propose using PNR in conjunction with an adapted sample environment to investigate the magnetic depth profile of a multi-layer sample for different temperature gradients. The fundamental aim is to demonstrate direct observation of the SSE for the first time.
DOI: 10.5286/isis.e.rb1900162-1
title: In Situ Measurement of the Spin Seebeck Effect

description: The spin Seebeck effect (SSE) is a newly discovered phenomenon that if harnessed, could result in a significant improvement of the efficiency of thermoelectric generators. The SSE is the generation of a spin polarised current when a magnetic material is subjected to a temperature gradient and is typically measured indirectly using the inverse spin Hall effect. Polarised neutron reflectivity can provide complementary data that enable determination of the spin polarisation of the film and the magnetic ordering at the surface and interface. This is especially important as the influence of the interface is still not well understood.We propose using PNR in conjunction with an adapted sample environment to investigate the magnetic depth profile of a multi-layer sample for different temperature gradients. The fundamental aim is to demonstrate direct observation of the SSE for the first time.
DOI: 10.17632/wmxhff6zg6.1
title: Data for: Study on channel flow control regulation of particle agent in fractured-vuggy carbonate reservoirs via CFD-DEM coupling method

description: Study on channel flow control regulation of particle agent in fractured-vuggy carbonate reservoirs via CFD-DEM coupling method
DOI: 10.5519/qd.k6o03ciz
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (167 records)
DOI: 10.17632/8z44snspvb.1
title: Data for: Workload Equity in Vehicle Routing: The Impact of Alternative Workload Resources

description: Electronic appendix containing the instances and solution sets used for the study.
DOI: 10.5519/qd.oyioaxes
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (32 records)
DOI: 10.17632/fk2b4r69bs.1
title: Data for: Modeling Flow Pattern Transitions in Electrical Submersible Pump under Gassy Flow Conditions

description: Experimental data for ESP performance under gassy flow conditions
DOI: 10.7910/dvn/f6qcp1/ijzmxc
title: slic-processed-data.zip

description: Clustered (SLIC) images of minitablets for different rug loads: 2.5%, 5%, 9% and 20%
DOI: 10.5281/zenodo.3238180
title: PROSEU survey questionnaire. New energy for Europe: Renewable Energy Prosumers Initiatives

description: As part of work package nº2 of the H2020 PROSEU project, which aimed to establish a baseline review and characterisation of renewable energy sources (RES) prosumer (self-consumption) initiatives across Europe, data were collected for nine EU member states (Belgium, Croatia, France, Germany, Italy, Portugal, Spain, the Netherlands, and the United Kingdom) using a self-administered online survey launched in these countries in eight languages, from October 2018 to January 2019. The results of the survey are presented in deliverable D2.1. The present document contains the English version of the questionnaire used in the survey.
description: H2020 project PROSEU - Prosumers for the Energy Union: Mainstreaming active participation of citizens in the energy transition. WP2 - Baseline analysis and Characterization of RE Prosumer Initiatives.
DOI: 10.5281/zenodo.3238181
title: PROSEU survey questionnaire. New energy for Europe: Renewable Energy Prosumers Initiatives

description: As part of work package nº2 of the H2020 PROSEU project, which aimed to establish a baseline review and characterisation of renewable energy sources (RES) prosumer (self-consumption) initiatives across Europe, data were collected for nine EU member states (Belgium, Croatia, France, Germany, Italy, Portugal, Spain, the Netherlands, and the United Kingdom) using a self-administered online survey launched in these countries in eight languages, from October 2018 to January 2019. The results of the survey are presented in deliverable D2.1. The present document contains the English version of the questionnaire used in the survey.
description: H2020 project PROSEU - Prosumers for the Energy Union: Mainstreaming active participation of citizens in the energy transition. WP2 - Baseline analysis and Characterization of RE Prosumer Initiatives.
DOI: 10.25919/5cf65e8a06d32
title: Parkes observations for project P991 semester 2019APRS_04

description: Finding radio pulsars orbiting near Sgr A* is a major goal of pulsar surveys with existing telescopes and future telescopes such as the Square Kilometer Array (SKA). The discovery of such pulsars will allow us to measure relativistic effects through timing of pulsars in tight orbits around Sgr A*, to characterise the distribution of dark matter near Sgr A*, to study the stellar population in the GC region and to probe the scattering region around Sgr A*. Although several surveys of the GC region have done, the Ultra-Wideband Low (UWL) receiver provides us a much wider frequency coverage with great sensitivity and therefore it is an excellent chance to revisit the GC region. At around 4GHz, a survey with UWL will achieve a sensitivity significantly higher than previous Parkes and Green Bank surveys, especially for pulsars with short spin periods and high dispersion measures.