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Fig. 3 in On the free radical scavenging and metallic ion chelating activities of pyridoxal - Could the pro-oxidant risk be competitive?

Fig. 3. Optimized structures of transition states (TSs) of RAF reactions at different sites between neutral pyridoxal and three radicals HOO●, NO ● and HO● in water. 2 Distances are in angstrom (Å) and angles are in degree (o).

opennotspecifiedJul 2022View details →
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Fig. 2 in On the free radical scavenging and metallic ion chelating activities of pyridoxal - Could the pro-oxidant risk be competitive?

Fig. 2. Optimized structures of transition states (TSs) of FHT reactions of neutral pyridoxal with HOO● and NO ● at C9H, and with HO● at C6H to C9H and O12H 2 calculated in water. Optimized structure of FHT with HO● at O10H obtained in the gas phase. Distances are in angstrom (Å) and angles are in degree (o).

opennotspecifiedJul 2022View details →
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Fig. 4 in On the free radical scavenging and metallic ion chelating activities of pyridoxal - Could the pro-oxidant risk be competitive?

Fig. 4. Optimized structures of the different Fe(II)/Fe(III)-neutral pyridoxal complexes calculated in water. Distances are in Å.

opennotspecifiedJul 2022View details →
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Fig. 4 in Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Fig. 4. UHPLC base peak ion chromatogram of CH2Cl2-soluble extract from leaves of Hyptis monticola. UHPLC-ESI-MS instrumental conditions: column C-18 (2.1 × 150 mm, 2 μm); mobile phase, gradient CH3CN:H2O; flow rate, 0.25 mL/min. Peaks assignments: tR 36.7 min =monticolide A (1); tR 27.6 min = monticolide B (2), tR 23.6 min = monticolide C (3); tR 29.6 min = monticolide D (4); tR 31.1 min = monticolide E (5); tR 19.1 min = monticolide F (6).

opennotspecifiedMay 2021View details →
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Fig. 6 in Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Fig. 6. Average for the relative quantification of monticolides A-F (1–6) in different plant organs (n = 15, mean with SD).

opennotspecifiedMay 2021View details →
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Fig. 3 in Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Fig. 3. Comparison of leaves extracts base peak chromatograms obtained with different solvents by UHPLC-ESI(+)-IT-MS. Analytical conditions: gradient mobile phase of CH3CN and 0.1% (v/v) aqueous formic acid; flow rate 0.25 mL/min; column C-18, 2.1 × 150 mm, 2 μm; sample concentration 0.5 mg/mL; mass spectrometry detection with ESI ionization in positive mode in the range of m/z 200 to 500. Peaks assignments: monticolides A-F, compounds 1–6.

opennotspecifiedMay 2021View details →
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Fig. 2 in Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Fig. 2. Recycling HPLC chromatogram for the separation of diacetylated monticolides B (2) and C (3) from the CCC fractions 8–12 (see, Fig. S1). Chromatographic conditions: mobile phase CH3CN; flow rate, 4.7 mL/min; NH2 column, 19 × 150 mm, 10 μm, DAD detector (290 nm); sample concentration, 30 mg/mL.

opennotspecifiedMay 2021View details →
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Fig. 5 in Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Fig. 5. PCA score plot of different extracts based on the relative abundances of total diagnostic ions for the distribution of monticolides A-F (1–6), which were registered by UHPLC-ESI(+)-IT-MS. Extracts prepared from flowers (HFL), leaves (HFO) and branches (HG). Codes were assigned according to the corresponding season and altitude as follows: HFL1, HFO1 and HG1-Spring collected at a low-altitude (1229 m) in 2013; HFL2, HFGO2 and HG2-winter collected at a low-altitude (1245 m) in 2017; HFL3, HFO3 and HG3-winter collected at a high-altitude (1310 m) in 2017; HFL4, HFO4 and HG4-summer collected at a low-altitude (1245 m) in 2018; and HFL5, HFO5 and HG5-summer collected at a high-altitude (1310 m) in 2018.

opennotspecifiedMay 2021View details →
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Fig. 7 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 7. Levels of major glucosinolates in leaves of first year rosette plants of the Gtype (A) and P-type (B) of Barbarea vulgaris in plants subjected to various challenges or no challenge as control. The contrasting general profile of the types is evident from dominance of BAR in the G-type and EBAR in the P-type. Treatment codes are: Control, un-challenged plants harvested after 7 days; Pieris 3d and Pieris 7d, herbivory by Pieris brassicae larvae until harvest at either day 3 or day 7; Plutella, herbivory by Plutella xylostella for 4 days; CuCl2, spraying of leaves with 10 mM CuCl2 (aq.) followed by recovery for 4 days. Bars represent means, whiskers indicate standard deviation (N = 3 for each group).

opennotspecifiedMay 2021View details →
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Fig. 6 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 6. Lack of the aliphatic glucosinolate (GSL) Pren (107) in B. vulgaris and spiking of pure (intact) Pren for establishing the limit of detection. A. Total ion chromatogram for the three dominating peaks in G-type B. vulgaris (dGSL preparation). B. Extracted ion trace for desulfo Pren in the same extract as A, showing lack of detection. C, D, E. Results of serial spiking of the crude extract with serial 10-fold dilutions of Pren before the desulfation procedure, showing linearity also at low levels and ability to detect trace levels.

opennotspecifiedMay 2021View details →
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Fig. 9 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 9. Extracted ion HPLC-MS chromatograms of desulfoglucosinolates prepared from glucosinolates (GSLs) in seeds (A–F) or leaves (G) of Reseda luteola and seeds of Reseda odorata (H). The three major peaks (A, B, C) represent PE, IM and BAR, much like many Barbarea spp. Focus on minor peaks (D) allowed conclusive identification of EBAR, confirmed by tR and the characteristic MS2 spectrum. A range of putative derivatives were not detected (E, F), but an unidentified hydroxybutylGSL was present (G), as was a known glycoside in R. odorata.

opennotspecifiedMay 2021View details →
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Fig. 5 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 5. MS2 spectra of desulfated glucosinolates (GSLs) confirming the identity of two 2-3homoMet-derived GSLs in C. hirsuta. While the spectrum of desulfo Buen contains only the usual fragments for this type of dGSL (a, [anhydroGlc+Na]+; b, [thioGlc+Na]+), the spectrum of desulfo Peen contains an additional usual fragment (c, [M-anhydroGlc Na]+) and two unusual + fragment ions suggesting a structure-specific cyclization and exchange of O during fragmentation: 201, [gluconolactone Na]+ and 152, [C H NS Na]+. + 6 11 + The unusual fragments can be rationalized as fragment a plus O and fragment c minus O, respectively.

opennotspecifiedMay 2021View details →
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Fig. 3 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 3. HPLC-MS chromatograms of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) in Planodes virginica (A) and Nasturtium officinale (B–C) seeds, showing qualitative similarities and quantitative contrasts. Major peaks (B) from N. officinale revealed many of the same GSLs as in A, but levels of EBAR (40R) were much lower while levels were much higher for the biosynthetic precursor PE (105). A focus on trace peaks from N. officinale (C) revealed sharp peaks representing a range of minor constituents. Due to the closely eluting peaks, the latter chromatograms (B–C) were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs. In C, the m/z 366 signal of d105 was omitted to allow visualization of minor coeluting peaks. An asterisk after a peak number indicates tentative identification. HPLC-MS conditions as in Olsen et al. (2016). TIC, total ion chromatogram, EIC, extracted ion chromatogram.

opennotspecifiedMay 2021View details →
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Fig. 4 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 4. HPLC-MS chromatogram of desulfoglucosinolates (dGSLs) prepared from glucosinolates (GSLs) from leaves (A) and petioles (B) of horseradish (Armoracia rusticana), focusing on trace level GSLs. The chromatograms were made by combining extracted ion chromatograms corresponding to [M+Na]+ of the indicated dGSLs, from analyses that were much overloaded with respect to the dominating dGSL d107 from Pren. In panel A, an insert shows magnification of the chromatogram from 5.2 to 5.8 min. Neither suggested BAR nor EBAR were detectable. In panel B, only extracted ion chromatograms of m/z 382 (BAR/EBAR), 352 (BZ), 366 (PE), 380 (3PP), 394 (4PB), 408 (5PP at high tR and 6mSOh at 5.4 min), 422 (7mSOh) and 436 (8mSOo) are included. Unlabeled trace peaks did not exhibit a combination of tR and m/z suitable for any of the mentioned candidates. HPLC conditions as in Olsen et al. (2016). Panel A depicts analysis of the Copenhagen garden accession; panel B from the naturalized population at Lake Fures¨o. An asterisk after a peak number indicates tentative identification.

opennotspecifiedMay 2021View details →
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Fig. 2 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 2. Detection of thioglucose-acylated glucosinolates (GSLs) by HPLC-MS of desulfated derivatives prepared from the indicated species. (A–C) Analysis of seeds of Arabidopsis thaliana Col-0 used as reference material for characteristic GSLs. Shown are the total ion chromatogram (A) and extracted ion chromatograms for sodium adducts of desulfo 6′Bz 4BzOb (d125) (B) and desulfo 6′Bz 4mSb (d127) (C). (D–F) Analysis of seeds of Barbarea grayi for dominating GSLs. Shown are total ion chromatograms (D), and extracted ion chromatograms for sodium adducts of desulfo 6'iF BAR (d131S) (E) and desulfo 6'iF PE (d129) (F).

opennotspecifiedMay 2021View details →
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Fig. 1 in Glucosinolate profiles and phylogeny in Barbarea compared to other tribe Cardamineae (Brassicaceae) and Reseda (Resedaceae), based on a library of ion trap HPLC-MS/MS data of reference desulfoglucosinolates

Fig. 1. MS2 spectra of pairs of desulfoglucosinolates with and without a side chain double bond. Four short chain desulfoglucosinolates were investigated, including Na+ adducts of all (A–D) and in addition H+ adducts of the methylthio substituted (E–F), as indicated in each spectrum. The desulfo derivative of the putative 9mSn ([89]), poorly characterized in the literature, was also investigated (G).

opennotspecifiedMay 2021View details →
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Assessing Sustainability Potential of Spent Lithium-ion Battery Mining using Deep Eutectic Solvents

<p>This dataset provides technical advantages/disadvantages, economic inputs/outputs, and life cycle environmental impacts of solvometallurgy (deep eutectic solvents), pyrometallurgy, and hydrometallurgy systems for critical metals recycling from spent lithium-ion battery.</p>

opencc-by-4.0Sep 2023View details →
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Electrodialysis with Bipolar Membranes for the Generation of NaOH and HCl Solutions from Brines: An Inter-Laboratory Evaluation of Thin and Ultrathin Non-Woven Cloth-Based Ion-Exchange Membranes

<p>The SEArcularMINE project aims to recover critical raw materials (CRMs) from brines from saltworks, thus facing a CRM shortage within Europe. To promote a fully circular scheme, the project valorises concentrated brines using electrodialysis with bipolar membranes (EDBM) to generate the required amounts of reactants (i.e., acids and bases). Regarding the performances of new non-woven cloth ion-exchange membranes (Suez): (i) an ultra-thin non-woven polyester cloth and (ii) a thin polypropylene cloth acting as the support structures were assessed. Additionally, the anion layer includes a catalyst to promote the water dissociation reaction. The effect of current density (100, 200, and 300 Am&minus;2) on the performance of two combinations of membranes in an inter-laboratory exercise using 2 M NaCl was evaluated. According to statistical analysis ANOVA, there was an agreement on the results obtained in both laboratories. NaOH/HCl solutions up to 0.8 M were generated working at 300 A m&minus;2 using both combinations of membranes. Regarding the performance parameters, stack set-ups incorporating thin polypropylene membranes showed lower specific energy consumption (SEC) and higher specific productivity (SP) than ultra-thin polypropylene ones. Hence, for ultra-thin polypropylene membranes, SEC was reported to be between 2.18 and 1.69 kWh kg&minus;1&nbsp;NaOH and SP&nbsp;between 974 and 314 kg m&minus;2 y&minus;1.<br> &nbsp;</p>

opencc-by-4.0Nov 2022View details →
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MD simulation trajectory for Heterogenous lipid bilayer with no counter-ions

<p>Equilibrated symmetric heterogenous lipid bilayer simulation ran with Gromacs 2020.4, Force field= Charmm36m, 300ns, T=300K, composed of&nbsp;152 POPC, 96 POPE, 20 POPS, 80 CHOL, 36 PSM, and 16 GM1 molecules, no ions, 19606 water (TIP3P)&nbsp;molecules.&nbsp;</p>

opencc-by-4.0Sep 2023View details →
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Supporting code and dataset for the ion drift at Mars

<p>This datasets include the code of Martian crustla fields. Readers could also download it&nbsp;<a href="https://github.com/gaojiawei321/Mars_G110_model">https://github.com/gaojiawei321/Mars_G110_model</a>.</p> <p>Furthermore, the traced magnetic field lines shown in the Figure 4 of the paper are also available in the .mat file&nbsp;</p> <p>The ion pitch angle distribution shown in Figure 3, the magnetic topology index&nbsp;shown in Supplementary Figure 2 are also available here.</p> <p>The wave properties, the distribution of curvature radius of field lines, gyroradius and the adiabatic parameter&nbsp;are all&nbsp;available here</p>

opencc-by-4.0Sep 2023View details →

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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

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