Find research datasets worth reusing

opencc-by-sa-4.0Jul 2024View details →

EU Biotransform - Repository on existing impact assessment methodologies

A thorough review of already existing methodologies to assess environmental/social/economic impacts of fossil/bio-based and linear/circular economies, as well as their transitions, e.g. impact forecasting through theory of change, full or simplified LCAs, material flow analyses, and outlook like automated data extraction with AI, at macro level (country or regional level).

opencc-by-sa-4.0Jul 2024View details →

EU Biotransform - Summary of interviews

5 local policymakers or other stakeholders were interviewed in each case-study region to depict their views on the limits of the current linear-based economies and the barriers to transition to circular bioeconomy.

opencc-by-4.0Sep 2020View details →

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer

This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. <a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a> This dataset is extracted from the database behind BioTransformer (<a href="http://biotransformer.ca/">http://biotransformer.ca/</a>) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues, for addition to the PubChem Transformations section. Change logs and version tracking at the <a href="https://git-r3lab.uni.lu/eci/pubchem/-/tree/master/annotations/tps/MetXBioDB">ECI GitLab site</a>. Please cite the BioTransformer article when using this set: <a href="https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5">https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5</a> NOTE: This deposition is work in progress ... Change log: 13 Oct: added InChIKey file. 16 Oct: updated substances with missing CIDs and transformations. 5/11 many bug fixes finally committed, added DTXSIDs. 22/6/2023 adjusted one CID that changed upon PubChem standardization. 15 Nov 2023: fixed typo in reaction description. 26 Feb 2024: corrected name for CID 65564. 6 Aug 2024: fixed many triazine synonyms.

opencc-by-4.0Oct 2024View details →

Molecular structure discovery for untargeted metabolomics using biotransformation rules and global molecular networking

Comparative analysis of SIRIUS to evaluate our method, Biotransformation-based Annotation Method (BAM). This dataset includes all scripts, data, and results relevant to this analysis. BAM can be found on GitHub (https://github.com/HassounLab/BAM).

opennotspecifiedFeb 2021View details →

Fig. 4 in Biotransformation of betulinic acid by Circinella muscae and Cunninghamella echinulata to discover anti-inflammatory derivatives

Fig. 4. Inhibition against NO production of betulinic acid, 1–4, and 7–10 in LPS-induced RAW 264.7 cells.

opencc-by-4.0Dec 2023View details →

Multienzymatic biotransformation of flavokawain B by entomopathogenic filamentous fungi

The record contains raw data regarding the publication: Chlipała P,* Tronina T, Dymarska M, Urbaniak M, Kozłowska E, Stępień Ł, Kostrzewa-Susłow E, Janeczko T.* "Multienzymatic biotransformation of flavokawain B by entomopathogenic filamentous fungi: structural modifications and pharmacological predictions." Microbial Cell Factories, 2024, 23:65. https://doi.org/10.1186/s12934-024-02338-9. In the "UPLC data" folder, chromatograms are available depicting substrate conversions in cultures of investigated microorganisms over time. In the "NMR data of isolated biotransformation products" folder, NMR spectra of substrates and isolated/purified biotransformation products are provided.

opencc-by-4.0Nov 2022View details →

Raw NMR FID data of biotransformed phenolic xyloside by Lentinus brumalis

This is NMR FID data of biotransformed phenolic xyloside by Lentinus brumalis. Isolation and structural elucidation of these compounds will be reported in the article titled "Uncovering detoxification enzymes diversity of wood-decaying fungi through qualitative untargeted metabolomics", which will be submitted soon.

opennotspecifiedMay 2021View details →

Fig. 5 in Biotransformation of artemisinic acid to bioactive derivatives by endophytic Penicillium oxalicum B4 from Artemisia annua L.

Fig. 5. Time course for the biotransformation of artemisinic acid (AA) by Penicillium oxalicum B4. AA (3.50 mg/50 mL) was added to 2-day-old culture for the biotransformation.

opennotspecifiedMay 2021View details →

Fig. 4 in Biotransformation of artemisinic acid to bioactive derivatives by endophytic Penicillium oxalicum B4 from Artemisia annua L.

Fig. 4. Time course of mycelial biomass (A) and the biotransformation of artemisinic acid (AA) by Penicillium oxalicum B4. AA (3.50 mg/50 mL) was added to 2-day-old culture for the biotransformation. Data presented are the means ± SD of results from three independent experiments.

opennotspecifiedMay 2021View details →

Fig. 7 in Biotransformation of artemisinic acid to bioactive derivatives by endophytic Penicillium oxalicum B4 from Artemisia annua L.

Fig. 7. Inhibitory effects of metabolite 4 (A) and 7 (B) on cell viability and LPSinduced nitrite production in RAW 264.7 cells. Normal cells were incubated for 24 h with metabolite 4 and 7 at indicated concentrations. Cells were pretreated with the indicated concentrations of metabolite 4 and 7 for 1 h followed by treatment with LPS (1.0 μg/mL). After 24 h of incubation, the amount of nitrite in the culture supernatants and cell viability were measured. Data presented are the means ± SD of results from three independent experiments (###p <0.001 versus untreated group; *p <0.05, **p <0.01 versus LPS treated group. The small letters indicate the significant difference (p <0.05) between groups).

opennotspecifiedMar 2021View details →

Fig. 2 in Biotransformation of papaverine and in silico docking studies of the metabolites on human phosphodiesterase 10a

Fig. 2. Docked poses of the five papaverine-based biotransformation products with better docking scores than the native ligand in the Human PDE-10 A crystal structure, PDB: 2WEY; 4 (red), 1 (yellow), 6 (blue), 3 (blum), 5 (faded orange). (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)

Fig. 4. A in Biotransformation of xenobiotics by hairy roots

Fig. 4. A Biotransformation of paracetamol into conjugates of glutathione to form a stable complex during phase II reaction stage B Biotransformation of paracetamol into conjugates of glucoside to form a stable complex which undergoes storage into lignin fraction of cell wall during phase III reaction by HRs of A. rusticana.

Fig. 5 in Biotransformation of xenobiotics by hairy roots

Fig. 5. Biotransformation of oxybenzone into conjugates of glucose and malonyl-glucoside during phase II reaction and further storage of malonyl conjugate in vacuole or cell wall during phase III reaction by HRs of A. rusticana.

Fig. 2 in Biotransformation of xenobiotics by hairy roots

Fig. 2. Biotransformation of phenols by hydroxylation, dehydrogenation, ortho-cleavage and oxidation reactions of Phase I reaction by HRs of H. annuus.

Fig. 7 in Biotransformation of xenobiotics by hairy roots

Fig. 7. Proposed biotransformation stages of TNT (2,4,6-trinitrotoluene) to 4-amino-2,6-dinitrotoluene and 2-amino-4,6-nitrotoluene by HRs of C. roseus.

Fig. 3 in Biotransformation of xenobiotics by hairy roots

Fig. 3. Biotransformation of 2, 4-dichlorophenol into 2-chloro-6-(2,4-dichlorophenoxy)-1,4-benzoquinone by HRs of N. tabacum during phase II reaction.

Fig. 6 in Biotransformation of xenobiotics by hairy roots

Fig. 6. Biotransformation of DDT to DDD, DDE, and DDMU during phase I reaction by HRs of B. juncea and C. intybus.

Fig. 8 in Biotransformation of xenobiotics by hairy roots

Fig. 8. Biotransformation of textile azo dyes: A) Reactive Red 198, B) Acid Red 114 by HRs of T. patula and I. carnea, respectively.