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zenodo40/100

Bruch's Membrane Opening Area Assessment to Unmask the Secret of Choroidal Elongation in Acute Uveitis

<p><span>This dataset contains information on uveitic patients' BMOA and other </span></p> <p><span>ophthalmological parameters. It includes patient IDs, names, ages, </span></p> <p><span>geographical zones, visual acuity in the right and left eyes, and various </span></p> <p><span>medical conditions.</span></p>

opencc-by-4.0Jun 2024View details →
zenodo40/100

BRAIN Journal-Isomorphism Between Estes' Stimulus Fluctuation Model and a Physical- Chemical System-Figure 1. Two compartments containing solution separated by a membrane.

<p>In fact, this equation will be found first if one consults physical or chemical textbooks for<br> diffusion. Also one may be able to find already-existing diffusion simulators to see vivid images of<br> the process.</p>

opencc-by-4.0Oct 2013View details →
zenodo40/100

Molecular Architecture of the Major Membrane Ring Component of the Nuclear Pore Complex

<p>This repository contains the modeling files and the analysis related to the article&nbsp;<a href="https://www.ncbi.nlm.nih.gov/pubmed/28162953">&quot;Molecular Architecture of the Major Membrane Ring Component of the Nuclear Pore Complex&quot;</a>&nbsp;by Upla et al. in Structure 2017.</p> <p><strong>For more information</strong>&nbsp;about how to reproduce this modeling, see the&nbsp;<a href="https://salilab.org/pom152/">Sali lab website</a> or the README file.</p>

opencc-by-sa-4.0Mar 2017View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with NaCl Counterions

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with NaCl counterions.</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760.</p> <p><strong>Number of NaCl&nbsp;ions:&nbsp;</strong>24</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Amber ff99 [J&nbsp;&Aring;qvist&nbsp;<em>J. Phys. Chem.</em>&nbsp;<strong>94</strong>&nbsp;8021 (1990)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup:&nbsp;</strong>2.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;300&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0May 2018View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with KCl Counterions

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with KCl counterions.</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760.</p> <p><strong>Number of KCl&nbsp;ions:&nbsp;</strong>24</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Amber ff99 [J&nbsp;&Aring;qvist&nbsp;<em>J. Phys. Chem.</em>&nbsp;<strong>94</strong>&nbsp;8021 (1990)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup:&nbsp;</strong>2.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;300&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0May 2018View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with Ca+2 Counterions

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with Ca+2 counterions</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760.</p> <p><strong>Number of Ions: </strong>12.</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Li/Merz Ions [Li, P.&nbsp;<em>J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;2733-2748 (2013)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup: </strong>2.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;100&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0May 2018View details →
zenodo40/100

A new and highly robust light-responsive Azo-UiO-66 for highly selective and low energy post-combustion CO2 capture and its application in a mixed matrix membrane for CO2/N2 separation

<p>Supporting information for publication in Journal of Materials Chemistry A, <a href="https://dx.doi.org/10.1039/C8TA03553A">https://dx.doi.org/10.1039/C8TA03553A </a></p>

opencc-by-4.0Mar 2018View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with NaCl

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with 500, 1000, 2000,&nbsp;3000, and 4000&nbsp;mM of NaCl.</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760 (not present in the uploaded trajectories) .&nbsp;</p> <p><strong>Number of Na+ ions: </strong>52 (500mm), 104 (1000mm), 208 (2000mm), 311 (3000mm), 415 (4000mm)</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Amber ff99 [J&nbsp;&Aring;qvist&nbsp;<em>J. Phys. Chem.</em>&nbsp;<strong>94</strong>&nbsp;8021 (1990)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup:&nbsp;</strong>1.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;100&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0Apr 2018View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with CaCl2

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with&nbsp; various CaCl2 concentrations.&nbsp;</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760 (excluded from uploaded trajectories)</p> <p><strong>Number of Ca+2 Ions: </strong>52 (500mm), 104 (1000mm), 208 (2000mm), 311 (3000mm), 415 (4000mm)</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Li/Merz Ions [Li, P.&nbsp;<em>J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;2733-2748 (2013)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup:&nbsp;</strong>2.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;300&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0Jul 2018View details →
zenodo40/100

Amber Lipid17 Simulations of POPC/POPS Membranes with KCl

<p><strong>System:&nbsp;</strong>Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with 500, 1000, 2000,&nbsp;3000, and 4000&nbsp;mM of KCl.</p> <p><strong>Number of POPS:</strong>&nbsp;24.</p> <p><strong>Number of POPC</strong>&nbsp;120.</p> <p><strong>Number of waters:</strong>&nbsp;5760 (not present in the uploaded trajectories) .&nbsp;</p> <p><strong>Number of K+ ions: </strong>52 (500mm), 104 (1000mm), 208 (2000mm), 311 (3000mm), 415 (4000mm)</p> <p><strong>Lipid model:</strong>&nbsp;Amber Lipid 17 [IR&nbsp;Gould, AA Skjevik, CJ Dickson, BD Madej, RC&nbsp;Walker:&nbsp;&quot;Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids&quot;&nbsp;in prep.&nbsp;(2018)].</p> <p><strong>Ion models:&nbsp;</strong>&nbsp;Amber ff99 [J&nbsp;&Aring;qvist&nbsp;<em>J. Phys. Chem.</em>&nbsp;<strong>94</strong>&nbsp;8021 (1990)].</p> <p><strong>Water model:</strong>&nbsp;TIP3P&nbsp;[WL&nbsp;Jorgensen,&nbsp;J Chandrasekhar, JD&nbsp;Madura, RW&nbsp;Impey, ML&nbsp;Klein&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>79</strong>&nbsp;926 (1983)].</p> <p><strong>Simulation engine:</strong>&nbsp;Amber16 [DA&nbsp;Case et al.&nbsp;<em>AMBER 2017</em>&nbsp;UCSF&nbsp;(2017)].</p> <p><strong>Number of independent repeats per setup:&nbsp;</strong>1.<br> <strong>Trajectory lengths per repeat:</strong>&nbsp;200 ns.<br> <strong>Previously equilibrated for:</strong>&nbsp;100&nbsp;ns.<br> <strong>Sampling rate:</strong>&nbsp;every 10 ps.</p> <p><strong>Time integration step:</strong>&nbsp;2 fs.</p> <p><strong>Thermodynamic ensemble:</strong>&nbsp;NpT.&nbsp;<br> <strong>Temperature coupling:</strong>&nbsp;&#39;Langevin&#39;&nbsp;at T = 298&nbsp;K.<br> <strong>Pressure coupling: &#39;</strong>Berendsen&#39; [<em>J. Chem. Phys.</em>&nbsp;<strong>81</strong>&nbsp;3684 (1984);&nbsp;<em>J. Chem. Phys.</em>&nbsp;<strong>103</strong>&nbsp;10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no&nbsp;surface tension.</p> <p><strong>Electrostatics:&nbsp;</strong>PME [<em>J. Chem. Phys.</em>&nbsp;<strong>98</strong>&nbsp;10089 (1993);<em>&nbsp;J. Chem. Theory Comput.</em>&nbsp;<strong>9</strong>&nbsp;3878 (2013)].<br> <strong>Van der Waals:</strong>&nbsp;Turned off between&nbsp;1.0 nm and 1.5 nm.</p> <p><strong>Constraints:&nbsp;</strong>Lengths&nbsp;of covalent&nbsp;bonds involving Hydrogens&nbsp;in lipids using SHAKE&nbsp;[<em>J. Comput. Phys.</em>&nbsp;<strong>23</strong>&nbsp;327 (1977)], in water using SETTLE [<em>J. Comput. Chem.&nbsp;</em><strong>13</strong>&nbsp;952 (1992)].</p> <p><strong>Used in publications:&nbsp;</strong>OHS&nbsp;Ollila et al. &quot;NMRlipids IV: Headgroup &amp; glycerol backbone structures, and cation binding in bilayers with PS lipids&quot; in prep (2018).</p>

opencc-by-4.0Apr 2018View details →
zenodo40/100

Investigation of Azo-COP-2 as a photo-responsive low-energy CO2 adsorbent and porous filler in mixed matrix membranes for CO2/N2 separation

<p>Dataset supporting publication. All raw data for figures is included in the Excel file, and the full high-resolution SEM images are included in this repository.</p> <p>A preprint of the manuscript is available from <a href="https://doi.org/10.26434/chemrxiv.7593902">https://doi.org/10.26434/chemrxiv.7593902</a>&nbsp;</p> <p>The published paper is: Siyao Li, Nicholaus Prasetya, and Bradley P Ladewig,&nbsp;<em>Ind. Eng. Chem. Res.</em>, Just Accepted Manuscript<br> DOI: <a href="https://doi.org/10.1021/acs.iecr.9b00762">https://doi.org/10.1021/acs.iecr.9b00762</a></p>

opencc-by-4.0Oct 2018View details →
zenodo40/100

An Insight on the Effect of Azobenzene Functionalities Studied in UiO-66 Framework for Low Energy CO2 Capture and CO2/N2 Membrane Separation

<p>Data supporting journal manuscript. Includes an Excel spreadsheet with all the raw data for the figures in the manuscript, calibrations and calculations. Also includes 3D chemical structures of MOF units, and SEM images of MOF/polymer composite materials.</p> <p><strong>Abstract</strong></p> <p>In this paper, we report a simple approach to study the fundamental aspect of light-responsive metal organic framework (MOF) in UiO-66 topology through a mixed-ligand approach. Apart from change in the structural property, the loading of azobenzene linker inside the framework also affects the CO<sub>2&nbsp;</sub>light-responsive property and CO<sub>2</sub>/N<sub>2&nbsp;</sub>selectivity which could help to design future low-energy CO<sub>2&nbsp;</sub>adsorbents. Further study to incorporate the MOFs into mixed matrix membranes also indicates the benefit of higher azobenzene loading in the MOF to enhance the CO<sub>2</sub>/N<sub>2&nbsp;</sub>separation performance since it can improve the separation performance which could not be obtained in non-functionalized fillers.&nbsp;</p> <p><strong>Preprint manuscript</strong></p> <p>A Preprint&nbsp;version of the manuscript is available at:&nbsp;<a href="https://doi.org/10.26434/chemrxiv.7568696.v1">https://doi.org/10.26434/chemrxiv.7568696.v1</a>&nbsp;</p> <p><strong>Published article</strong></p> <p>Journal of Materials Chemistry A, 2019, DOI: <a href="https://doi.org/10.1039/C9TA02096A">https://doi.org/10.1039/C9TA02096A</a></p>

opencc-by-4.0Jan 2019View details →
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Fig. 6. Damesites sugata Forbes, 1846. A in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 6. Damesites sugata Forbes, 1846. A. UMUT MM 28661 from the middle Campanian in the Nio River, Nakagawa area, north Hokkaido. B. UMUT MM 28662 from the middle Campanian in the Nio River, Nakagawa area, north Hokkaido (all in median longitudinal section). A1. Unusually long septal neck, extending into the body chamber, showing locations of photo A2; its length is equivalent to the last cameral distance. A2. Anterior margin of the long septal neck, consisting of a nacreous layer. B1. Unusually long septal neck, extending into the body chamber, showing locations of photo B2; its length is equivalent to the last cameral distance. B2. Anterior margin of the long septal neck, consisting of a nacreous layer. Abbreviations: bc, body chamber; n, nacreous layer of septal neck; s, septum; sn, septal neck.

opencc-by-4.0Dec 2005View details →
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Fig. 2 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 2. Phyllopachyceras ezoense (Yokoyama, 1890). UMUT MM 28658 from the lower Campanian of the Nakanofutamata−zawa Creek, Haboro area, northwest Hokkaido (median longitudinal section). A. Occurrence of precursory siphuncular membranes in the rear part of the body chamber showing locations of photos B–D. B. Adoral end of the last septal neck, showing the outer conchiolin layer resting on the nacreous layer of the septal neck. C. Conchiolin membranes in the rear part of the body chamber, consisting of thinner inner and thicker outer layers. D. Adoral end of the conchiolin membranes in the body chamber, which consist only of the outer layer. Abbreviations: bc, body chamber; ic, inner conchiolin layer; n, nacreous layer of septal neck; s, septum; sn, septal neck; oc, outer conchiolin layer.

opencc-by-4.0Dec 2005View details →
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Fig. 1 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 1. Phyllopachyceras ezoense (Yokoyama, 1890). UMUT MM 28657 from the lower Campanian of the Nakanofutamata−zawa Creek, Haboro area, northwest Hokkaido (median longitudinal section). A. Occurrence of precursory siphuncular membranes in the rear part of the body chamber showing locations of photos B and C. B. Adoral end of the last septal neck, showing the outer conchiolin layer resting on the nacreous layer of the septal neck. C. Adoral portion of the conchiolin membranes in the body chamber, consisting of thinner inner and thicker outer layers. The outer layer consists of adorally tilted pillar−like units. Abbreviations: bc, body chamber; ic, inner conchiolin layer; n, nacreous layer of septal neck; oc, outer conchiolin layer; s, septum; sn, septal neck.

opencc-by-4.0Dec 2005View details →
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Fig. 5 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 5. Phyllopachyceras ezoense (Yokoyama, 1890). UMUT MM 28660. Same specimen as that in Fig. 4. A. Siphuncular tube at the beginning of the second whorl, consisting of inner and outer conchiolin layers. The ventral side is distinctly detached from the ventral shell wall at this stage. B. Closeup of the ventral side of the siphuncular tube in the third whorl, showing that the membranes branching from the outer layer are attached to the ventral shell wall. Abbreviations: ic, inner conchiolin layer; oc, outer conchiolin layer; s, septum; vw, ventral shell wall.

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Fig. 7 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 7. Successive stages of formation of the septal neck−siphuncular complex in Phyllopachyceras ezoense. A. Stage before anterior migration of the body and development of invagination of the septal epithelium in median dorsoventral (A1) and transverse (A2) sections. B. Development of the invagination of the septal epithelium followed by the gradual migration of the circumsiphonal portion of the body in median dorsoventral (B1) and transverse (B2) sections. Inner and outer layers of the primary conchiolin membranes are secreted by the siphuncular and septal epithelia, respectively. C. Gradual migration of the body and subsequent secretion of the nacreous septum by the septal epithelium. The inner layer of the siphuncular wall is thickened by additional conchiolin membranes secreted by the siphuncular epithelium, and the siphuncular wall at the preceding septal neck region is partly calcified (auxiliary deposit); median dorsoventral (C1) and transverse (C2) sections. Arrows point to the adoral direction.

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Fig. 4 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 4. Phyllopachyceras ezoense (Yokoyama, 1890). UMUT MM 28660 from the middle Campanian of the southern tributary in the Osousyunai Creek, Nakagawa area, northern Hokkaido (dorso−ventral cross section). A. Ventral side of the body chamber, showing the shape of the precursory siphuncular membranes that directly contact the outer shell wall and the locations of photos B–D. B–D. Precursory siphuncular membranes at the dorsal (B), ventrolateral (C) and ventral (D) sides. At every side, the membranes are made up of a thinner homogeneous inner layer and a thicker outer layer with pillar−like units. Abbreviations: bc, body chamber; ic, inner conchiolin layer; oc, outer conchiolin layer.

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Fig. 3 in Precursory siphuncular membranes in the body chamber of Phyllopachyceras and comparisons with other ammonoids

Fig. 3. Phyllopachyceras ezoense (Yokoyama, 1890). UMUT MM 28659 from the lower Campanian of the Nakanofutamata−zawa Creek, Haboro area, northwest Hokkaido (median longitudinal section). A. Occurrence of precursory siphuncular membranes in the rear part of the body chamber showing location of photos B, C. The membranes have a length equivalent to that of the two last camerae. B, C. Anterior end and close−up of the conchiolin membranes. The inner layer disappears just before the adoral end, whereas the outer layer still exists. Abbreviations: bc, body chamber; ic, inner conchiolin layer; n, nacreous layer of septal neck; oc, outer conchiolin layer; s, septum; sn, septal neck.

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Fig. 5 in The extent of the pterosaur flight membrane

Fig. 5. Photographs and line drawings of selected specimens showing a pronounced contraction of the wing. A. Rhamphorhynchus longicaudus (Münster, 1839), BSPG 1938 I 503a, Solnhofen Limestone (Upper Jurassic), Germany; photograph (A1), explanatory drawing (A2). B. Jeholopterus sp. (Ji and Yuan 2002), Lower Yixian Formation (Early Cretaceous), China; photograph (B1), explanatory drawing (B2). Tissue belonging to the wings is marked in bold outlines in A2 and B2.

opencc-by-4.0Sep 2010View details →

ScienceDex guides

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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.

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Allen Brain Atlas

Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.

allen-brain-atlas
neuroscienceopenDocumentation, web resources, and API references are available online.
Last verified 2026-04-30Open record

Annotated Behaviour and Observability Dataset (ABODe)

ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.

abode-home-cage
behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.
Last verified 2026-04-30Open record

DANDI Archive for NWB datasets

DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.

dandi-nwb
electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.
Last verified 2026-04-30Open record

International Brain Laboratory public data

The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.

ibl
behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.
Last verified 2026-04-29Open record

OpenNeuro

OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.

openneuro
neuroscienceopenPublished datasets are available on demand over the internet.
Last verified 2026-04-29Open record