Find research datasets worth reusing

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor monomer simulation - 120 Lipids - q0.38 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide.

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor monomer simulation - 60 Lipids - q0.42 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide. Reduced saved frequency could not be generated and no-water was directly generated by hand and added here.

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor monomer simulation - 60 Lipids - q0.38 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide.

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor monomer simulation - 120 Lipids - q0.33 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide.

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor dimer simulation - 70 Lipids - q0.38 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide.

Bicelle size and lipid/surfactant ratio screening - Gwalp tail anchor monomer simulation - 120 Lipids - q0.33 - PBS neutralized - CHARMM36m - 310K - TIP3P water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide. Specific iteration to see the influence of the water model.

Bicelle size and lipid/surfactant ratio screening - Magaining 2 tail anchor monomer simulation - 120 Lipids - q0.38 - PBS neutralized - CHARMM36m - 310K - OPC water model

Bicelle size and lipid to surfactant ratio screening to investigate the influence on spin relaxation data with monomers of a given peptide.

opencc-by-4.0Jul 2023View details →

multitask_MHA_esm2_t30_150M_UR50D_neg_ratio_8+8_shift_30_mask_0.2_2023-03-25_90

data need for phos-ST run

opencc-by-4.0Jul 2023View details →

Tooth enamel nLC-MS dataset for: Unbalanced sex-ratio in the Neolithic individuals from the Escoural Cave (Montemor-o-Novo, Portugal) revealed by peptide analysis

nLC-MS .raw data of tooth enamel samples from archaeological human remains.  The dataset is related to the publication of Granja et al.

opencc-by-4.0Jul 2023View details →

Correlation between LDH/PDH activities ratio and tissue pH in the perfused mouse heart – a potential non-invasive indicator of cardiac pH provided by hyperpolarized magnetic resonance

Primary data for DOI: 10.1002/nbm.4444 NMR in Biomedicine. 2021;34:e4444. Title: Correlation between LDH/PDH activities ratio and tissue pH in the perfused mouse heart – a potential non-invasive indicator of cardiac pH provided by hyperpolarized magnetic resonance Authors: David Shaul, Assad Azar, Gal Sapir, Sivaranjan Uppala, Atara Nardi-Schreiber, Ayelet Gamliel, Jacob Sosna, J. Moshe Gomori, and Rachel Katz-Brull   These primary datasets contain data presented in the above publication and consist of: 1. 31P-NMR spectra 2. Hyperpolarized 13C-NMR spectra Please consult the Archive Guide.

Fig. 8 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 8. Reaction scheme for the formation of BOH (6) and BCOOH (8) from reactive benzaldehyde through a Cannizzaro type reaction, catalyzed by a benzaldehyde dehydrogenase (based on Wuensch et al., 2013). The proposed scheme would require only one enzymatic activity for both the oxidative and reductive half-reactions.

Fig. 7 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 7. Proposed scheme for reactions taking place during the maca drying. The sequence is based on the main hydrolytic metabolites observed during the drying process. Step A describes reactions generating the initial hydrolysis products and including BITC (2), BCN (4) and BIOC (7). Step B is the formation of BNH2 (3), the main accumulation product, from BITC (2). Step C describes deamination of BNH2 (3) to generate various deaminated benzenoids. Step D corresponds to the disproportionation reactions leading to pools of BCHO (5), BOH (6) and BCOOH (8) through the action of an aldehyde dehydrogenase. Step E is the condensation of BNH2 (3) with free fatty acids to produce macamides (MAC 9–13) and step F corresponds to esterification or glycosylation of BCOOH (8) as a detoxification mechanism. Numbers correspond to those in Fig. 1. Dark lines show favored reactions according to our results. Compounds in light gray are minor transient products.

Fig. 4. Pearson correlation values for glucosinolate hydrolytic products. Panel A in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 4. Pearson correlation values for glucosinolate hydrolytic products. Panel A shows the correlation of metabolites for the early stage of drying, where reactions are caused by direct damage to the tissue by shredding. Panel B shows the correlation between intermediaries as a result of the late stage tissue dehydration. BCOOR- 2, BCHO-2 and BCOOH-2 shown in panel B correspond to data points in Fig. 5 shown as part of the red solid line while BCOOR (8a), BCHO (5) and BCOOH (8) in panel A correspond to the early stage in the figure shown in solid black lines. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)

Fig. 6 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 6. Time course for the concentration of ammonium ion in maca tissues during drying. Deamination of benzyl amine and amino acids by amine oxidases are potential sources of ammonia under our short (72 h) drying conditions. Peak values of NH+ are 25 μmol g 1 dry wt.. Total amount of deaminated benzenoids 4 accounts for only 0.75 μmol g 1 dry wt. indicating other major sources of ammonium in the process. Curve adjusted by nonlinear regression (R2 = 0.9472).

Fig. 3 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 3. Tissue concentrations during oven drying for benzyl glucosinolate (BGL) and its metabolites. Drying maca tissue was extracted in solvent and the levels of benzyl glucosinolate, its primary hydrolytic products (BITC, BCN) and two products that accumulate in the flour, benzyl amine (BNH2) and macamides (MAC) were analyzed. RW represents residual humidity. Hydrolytic and final accumulation product patterns match those previously reported (Esparza et al., 2015), although for this study, a 72 h drying period and 35 ◦ C constant temperature were employed. Values are expressed in molar fraction of initial glucosinolate concentration, where 1 = 36 ± 5 μmol g 1 dry wt. (N = 6). Nonlinear regression coefficients for the compounds were: R2 = 0.941 (BGL, 1), R2 = 0.971 (BITC, 2), R2 = 0.777 (BCN, 4), R2 = 0.955 (BNH, 3), R2 = 0.985 (MAC, 9–13) and R2 = 0.993 (RW).

Fig. 2 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 2. Time course of major VOCs from glucosinolate hydrolysis measured by headspace SPME-GC-MS. Values are expressed as percentage of average peak total ion current (TIC) for each compound. Compounds, from top left are: benzyl isothiocyanate (BITC, 2), benzyl nitrile (BCN, 4), benzaldehyde (BCHO, 5), benzyl alcohol (BOH, 6), benzyl isocyanate (BIOC, 7), and average relative humidity (RH) inside the chamber (N = 9). Peak TIC values (x 107) for the compounds were: 238.42 (2, 100%); 2.88 (4, 1.2%); 34.9 (5,14.6%); 28.17 (6, 11.8%) and 3.75 (7, 1.6%). Values in parenthesis after the compound number denote the relative intensity of the peak in relation to the isothiocyanate peak. RH = relative humidity in the headspace.

Fig. 5 in Glucosinolate catabolism during postharvest drying determines the ratio of bioactive macamides to deaminated benzenoids in Lepidium meyenii (maca) root flour

Fig. 5. Time course profiles for transient and final deaminated benzenoid products in drying maca tissues. Kinetic profiles show two stages, early "fast" kinetics (solid black lines) that take place in the initial 12 h, corresponding to damage to the tissues done by shredding to reduce size for drying and a second "slow" stage (solid red lines) that shows the dehydration of the tissues in the later part of the drying process. Data points corresponding to the initial and the late phases have been subjected to nonlinear regression separately. The nonlinear regression coefficients for the metabolites were for BCHO (5): R2 = 0.9962 (early phase), R2 = 0.9880 (late phase), for BOH (6): R2 = 0.9999 (early), R2 = 0.9522 (late), BCOOH (8): R2 = 0.9999 (early), R2 = 0.9526 (late), BCOOR (8a): R2 = 0.9677. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)