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opencc-by-4.0Apr 2020View details →

S67 | TBUTYLPHENOLS | List of tert-butyl phenols from KEMI

This is the collection associated with list S67 TBUTYLPHENOLS List of tert-butyl phenols from KEMI on the NORMAN Suspect List Exchange. <a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a> A list of tert-butyl phenols from KEMI (Swedish Chemicals Agency), partner list to BISPHENOLS. Includes exposure score. Dataset DOI: 10.5281/zenodo.3779849.

opencc-by-4.0Feb 2024View details →

Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures

Enzymatic decarboxylation of biobased hydroxycinnamic acids gives access to phenolic styrenes for adhesive production. Phenolic acid decarboxylases are proficient enzymes that have been applied in aqueous systems, organic solvents, biphasic systems, and deep eutectic solvents, which makes stability a key feature. Stabilization of the enzyme would increase the total turnover number and thus reduce the energy consumption and waste accumulation associated with biocatalyst production. In this study, we used ancestral sequence reconstruction to generate thermostable decarboxylases. Investigation of a set of 16 ancestors resulted in the identification of a variant with an unfolding temperature of 78.1 °C and a half-life time of 45 h at 60 °C. Crystal structures were determined for three selected ancestors. Structural attributes were calculated to fit different regression models for predicting the thermal stability of variants that have not yet been experimentally explored. The models rely on hydrophobic clusters, salt bridges, hydrogen bonds, and surface properties and can identify more stable proteins out of a pool of candidates. Further stabilization was achieved by the application of mixtures of natural deep eutectic solvents and buffers. Our approach is a straightforward option for enhancing the industrial application of the decarboxylation process.

opencc-by-4.0Mar 2023View details →

Synthesis of Phenol-Tagged Ruthenium Alkylidene Olefin Metathesis Catalysts for Robust Immobilisation Inside Met-al-Organic Framework Support

Data confirming the structure of the new compounds obtained within the project, published in Catalysts 2023, 13(2), 297; <a href="https://doi.org/10.3390/catal13020297">https://doi.org/10.3390/catal13020297</a> The research was supported by the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 860322 for the ITN-EJD “Coordination Chemistry Inspires Molecular Catalysis” (CCIMC) and by the National Science Centre, Poland (OPUS grant 2017/27/B/ST5/00941).

opencc-by-4.0Aug 2023View details →

Photodegradation of phenol (τOH) by TiO2-based nanophotocatalysts determined in line with the SAPNet methodology

The independent variable (predictor) is the intensity of photoluminescence at 398 nm and with use of logistic regression model connects ability of photocatalytic degradation of phenol (endpoint) with this experimentally derived property. The equation goes as follow: 4.32(±2.10) – 0.051(±0.03)(PL398) The developed model is included into the SAPNet workflow (Structure-Activity Prediction Network). In an additional step of SAPNet workflow developed model correlates the structure of a nanomaterial to the selected endpoint- photodegradation of phenol (τOH) by titanium dioxide synthesized in the presence of ionic liquids (IL).   Each sample is described by surface area, the amount of nitrogen and carbon atoms, ionic liquid decomposition rate (ΔIL), molar ratio and the type of cations and anions, that influences photoluminescence

opencc-by-4.0May 2023View details →

Relationship between decay resistance and moisture properties in wood modified with phenol formaldehyde and sorbitol-citric acid

This dataset contains measurement data from the following publication: Belt, T.; Kyyrö, S.; Kilpinen, A. T. (2023) Relationship between decay resistance and moisture properties in wood modified with phenol formaldehyde and sorbitol-citric acid. Journal of Materials Science, 10.1007/s10853-023-08874-w. Small samples of Scots pine sapwood were modified using different concentrations of phenol formaldehyde (2.5, 5, 10, 20 and 30% resin solids content) and sorbitol-citric acid (5, 10, 20, 30 and 40% resin solids content) and then exposed to brown rot decay by Coniophora puteana and Rhodonia placenta. Sample masses and dimensions were measured at different points to determine their weight gain, anti-swelling efficiency and moisture exclusion efficiency due to modification, their mass loss due to decay and their moisture content at the end of the decay test. Fluorescence images were collected from decayed and control samples after the decay test. Further details on the experimental procedures can be found in the publication.  The "Sample IDs and measurement data.csv" -file contains the sample IDs and all measured dimensions and mass data for every sample. Areas Adry0, Adry1, Awet, and Adry2 are the cross-sectional areas of the samples in the dry state before modification, in the dry state after modification and before leaching, in the wet state during leaching, and in the dry state after leaching, respectively. Masses mdry0, mdry1, mdry2, mRH85, mwet, and mdry3 are the masses of the samples in the dry state before modification, in the dry state after modification and before leaching, in the dry state after leaching, in the conditioned state at RH 85%, in the wet state at the end of the decay test, and in the dry state after the decay test, respectively. The "Fluorescence images" -folder contains fluorescence images collected from the samples. The image files are named according to the ID of the imaged sample, followed by additional tags. The samples modified using phenol formaldehyde were imaged using both green and UV excitation, and the file names contain the tag "green" or "UV" to denote the used excitation wavelengths. For all samples, the sample ID (and the excitation tag) are followed by a number to differentiate replicate images collected from the sample.

opencc-by-4.0Sep 2023View details →

Dataset for "Phenolic Substitution in Fidaxomicin: A Semisynthetic Approach to Antibiotic Activity Across Species"

ZIP File: Characterisation data (such as e.g. NMR, IR, MS spectra) NMR raw data, .mnova files ChemDraw drawings (.cdx files) PDF file: Supporting information for Phenolic Substitution in Fidaxomicin: A Semisynthetic Approach to Antibiotic Activity Across Species Erik Jung,[a] Anastassia Kraimps,[a] Silvia Dittmann,[b] Tizian Griesser,[c] Jordan Costafrolaz,[d] Yves Mattenberger,[d] Simon Jurt,[a] Patrick H. Viollier,[d] Peter Sander,[c] Susanne Sievers,[b] and Karl Gademann*[a] [a] E. Jung, A. Kraimps, S. Jurt, Prof. Dr. K. Gademann Department of Chemistry, University of Zurich 8057 Zürich (Switzerland) E-mail: karl.gademann@uzh.ch [b] S. Dittmann, Dr. S. Sievers Department of Microbial Physiology and Molecular Biology Institute of Microbiology Center for Functional Genomics of Microbes University of Greifswald Greifswald (Germany) [c] T. Griesser, Prof. Dr. P. Sander Institute of Medical Microbiology University of Zurich Zurich (Switzerland) [d] J. Costafrolaz, Dr. Y. Mattenberger, Prof. Dr. P. H. Viollier Department of Microbiology and Molecular Medicine Faculty of Medicine, University of Geneva Geneva (Switzerland)   Abstract of the corresponding publication: Fidaxomicin (Fdx) is a natural product antibiotic with potent activity against Clostridioides difficile and other Gram-positive bacteria such as Mycobacterium tuberculosis. Only a few Fdx derivatives have been synthesized and examined for their biological activity in the 50 years since its discovery. Fdx has a well-studied mechanism of action, namely inhibition of the bacterial RNA polymerase. Yet, the targeted organisms harbor different target protein sequences, which poses a challenge for the rational development of new semisynthetic Fdx derivatives. We introduced substituents on the two phenolic hydroxy groups of Fdx and evaluated the resulting trends in antibiotic activity against M. tuberculosis, C. difficile, and the Gram-neg- ative model organism Caulobacter crescentus. As suggested by the target protein structures, we identified the preferable derivatisation site for each organism. The derivative ortho- methyl Fdx also exhibited activity against the Gram-negative C. crescentus wild type, a first for fidaxomicin antibiotics. These insights will guide the synthesis of next-generation fidaxomicin antibiotics.

opencc-by-4.0Nov 2024View details →

Evaluating the Role of Biochar in Altering Chlorinated Phenol Behavior in Alluvial Soil Systems

<div> <div> <div> <div> <div> </div> </div> </div> </div> </div> <div> <div> <div> <div> <div> <div> Row and modelled data were obtained for four types of chlorinated phenols during transport in sandy alluvial soil and biochar-enriched soil. Raw data are provided for the characterization of sandy alluvial soil used in this study. The data are used for the preparation of a manuscript titled Evaluating the Role of Biochar in Altering Chlorinated Phenol Behavior in Alluvial Soil Systems. </div> </div> </div> </div> </div> </div>

opencc-by-4.0Nov 2024View details →

The processed clean data of 16S rRNA V4 amplicon sequecnces for the six stage of phenolic microbiome domestication

Open the record for dataset details and reuse information.

dryad40/100

Data from: Effect of altitude on volatile organic and phenolic compounds of artemisia brevifolia wall ex Dc. from the Western Himalayas

Adaptation to changing environmental conditions is a driver of plant diversification. Elevational gradients offer a unique opportunity for investigating adaptation to a range of climatic conditions. The use of specialized metabolites as volatile and phenolic compounds is a major adaptation in plants, affecting their reproductive success and survival by attracting pollinators and protecting themselves from herbivores and other stressors. The wormseed Artemisia brevifolia can be found across multiple elevations in the Western Himalayas, a region that is considered a biodiversity hotspot and is highly impacted by climate change. This study aims at understanding the volatile and phenolic compounds produced by A. brevifolia in the high elevation cold deserts of the Western Himalayas with the view to understanding the survival strategies employed by plants under harsh conditions. Across four sampling sites with different elevations, polydimethylsiloxane (PDMS) sampling and subsequent GCMS analyses showed that the total number of volatile compounds in the plant headspace increased with elevation and that this trend was largely driven by an increase in compounds with low volatility, which might improve the plant's resilience to abiotic stress. HPLC analyses showed no effect of elevation on the total number of phenolic compounds detected in both young and mature leaves. However, the concentration of the majority of phenolic compounds decreased with elevation. As the production of phenolic defense compounds is a costly trait, plants at higher elevations might face a trade-off between energy expenditure and protecting themselves from herbivores. This study can therefore help us understand how plants adjust secondary metabolite production to cope with harsh environments and reveal the climate adaptability of such species in highly threatened regions of our planet such as the Himalayas.

opencc-zeroApr 2022View details →

opencc-by-4.0Aug 2022View details →

supplementary data about Extraction, Isolation and Structure elucidation of Two Phenolic acids from Aerial parts of Celery and Coriander.

supplementary  data about Extraction, Isolation and Structure elucidation of Two Phenolic acids from Aerial parts of Celery and Coriander. caffiec acid nmr 2.pdf                supplementary data.docx <a href="https://zenodo.org/api/files/52908924-99c6-4a2c-8047-ef7131714205/p%20coumaric%20acid%20nmr%202.pdf">p coumaric acid nmr 2.pdf</a>

opencc-by-4.0Jun 2024View details →

Database of phenolic measurements of European ivies (Hedera L., Araliaceae)

We present two databases of phenolic content measurements of three ivy species (Hedera L., Araliaceae) that are naturally distributed across continental Europe: H. helix, H. hibernica, and H. iberica. We sampled a total of 82 ivy populations in the wild in the Iberian Peninsula representing adequately the natural distribution of the species in the sampled area and the global distribution of H. iberica, endemic of the south-west of the Iberian Peninsula. In each population five individuals were sampled whenever it was possible and a leaf from a vegetative branch (VL) and another from a reproductive branch (RL) were collected for phenolic measurement. Geographic information (latitude, longitude and altitude) was retrieved for each population. Phenolic content was estimated as the absorbance at 329 nm per mg of fresh leaf weight (A329), as the absorption peak of phenylpropanoids, the most abundant phenolic compounds of ivies, is located at this wavelength (Murray & Hackett, 1991). As an additional estimate we measured the area under the absorbance curve for the interval 280-400 nm per mg of fresh leaf weight (AUC280-400) following Del-Castillo-Alonso et al. (2015). Climatic information for each locality was retrieved for 22 macroclimatic variables available in WorldClim 2.1 with a 2.5min resolution, including 19 bioclimatic variables, solar radiation, water vapor pressure and wind speed (Fick and Hijmans, 2017). The first version of the presented databases (v1) includes all the geographic, phenolic and climatic information used for the analyses in Gallego-Narbón et al. (under review). All the samples collected are available at the herbarium of Universidad Autónoma de Madrid (MAUAM). <ul> <li>The first database (Hedera_Phenolics_samples_v1.xlsx) includes sample information (species, population, individual number, leaf type and sample id), geographic information (latitude, longitude and altitude) and phenolic content measurements (A329 and AUC280-400) for 748 leaf samples of 82 ivy populations of H. helix, H. hibernica and H. iberica, This information is included in the first sheet (SamplePhen). The second sheet includes an explanation of the variables of the first sheet (SampleVar).</li> <li>The second database (Hedera_Phenolics_populations_v1.xlsx) includes population information (species, population, individual number, leaf type and sample id), geographic information (latitude, longitude and altitude) and mean phenolic content measurements (A329 and AUC280-400) per population for 82 ivy populations of H. helix, H. hibernica and H. iberica, and climatic information for the 22 macroclimatic variables extracted from WorldClim 2.1 per population. This information is included in the first sheet (PopulationPhen). The second sheet includes an explanation of the variables of the first sheet (PopulationVar).</li> </ul>

Figure 1 in Phytochemical screening and evaluation of antioxidant, total phenolic and flavonoid contents in various weed plants associated with wheat crops

Figure 1. DPPH Assay for Convolvulus arvensis, Chenopodium murale, Avena fatua, Phalaris minor extracts in different solvents.

Figure 3. H 2O2 in Phytochemical screening and evaluation of antioxidant, total phenolic and flavonoid contents in various weed plants associated with wheat crops

Figure 3. H 2O2 Scavenging assay for Convolvulus arvensis, Chenopodium murale, Avena fatua, Phalaris minor extracts in different solvents.

Figure 5 in Phenolic compound and fatty acid properties of some microalgae species isolated from Erbil City

Figure 5. Scatterplot matrix shows the correlation between palmitic acid, stearic acid, oleic acid and linoleic acid in a- Spirogyra sp. b- Spirulina sp. c- Chara sp. d- Chlorella sp.

Figure 3 in Phenolic compound and fatty acid properties of some microalgae species isolated from Erbil City

Figure 3. The distribution of DPPH and total phenol shows the same across categories of Treatment, Independent-Samples KruskalWallis Test and rejects the hypothesis on the base of Null Hypothesis with highly significant levels. A- Spirogyra sp., b-Spirulina sp. c- Chlorell sp. a d- Chara sp.

Figure 1 in Phenolic compound and fatty acid properties of some microalgae species isolated from Erbil City

Figure 1. Morphology of Algal genera isolated from Erbil City (a-Spirogyra, b-Spirulina, C-Chlorella d- Chara).