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42 results for “Triazoles”
Triazole-Extended Anthracenes as Optical Force Probes
<p><sup>1</sup>H- and <sup>13</sup>C-NMR FID of compounds <strong>2</strong> (Figure S1-S2), <strong>3 </strong>(Figure S4-S5), and <strong>6 </strong>(Figure S7-S8) of the Supporting Information.</p>
Data from: Cu-Al mixed oxide-catalysed multicomponent synthesis of gluco- and allofuranose-linked 1,2,3-triazole derivatives
<p><span>A series of carbohydrate linked-1,2,3-triazole derivatives were synthetized in good yields from glucofuranose and allofuranose diacetonides using as key step a three-component 1,3-dipolar azide-alkyne cycloaddition catalyzed by a Cu-Al mixed oxide. In this multicomponent reaction, Cu-Al mixed oxide/sodium ascorbate system serves as highly reactive, recyclable and efficient heterogeneous catalyst for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles. The reported protocol has significant advantages over classical CuI/DIPEA or CuSO<sub>4</sub>/sodium ascorbate conditions in terms of efficiency and reduced synthetic complexity. In addition, the selective deprotection of synthesized di-<i>O</i>-isopropylidene derivatives was also carried out leading to the corresponding mono-<i>O</i>-isopropylidene products in moderate yields. Some of the synthesized triazole glycoconjugates were tested for their <em>in vitro</em> antimicrobial activity using the disk diffusion method against Gram-positive bacteria (<i>Staphylococcus aureus</i> and <i>Bacillus subtilis</i>), Gram-negative bacteria (<i>Escherichia coli</i> and <i>Pseudomonas aeruginosa</i>), as well as fungus (<i>Aspergillus niger</i>) and yeast (<i>Candida utilis</i>). The results revealed that these compounds exhibit moderate to good antimicrobial activity mainly against Gram-negative bacteria. </span></p>
Data and code AEM article: Catching some air: A method to spatially quantify aerial triazole resistance in Aspergillus fumigatus
<h2>Name</h2> <p>Catching_some_air</p> <h2><a href="#description"></a>Description</h2> <p>This script project was written to visualise and analyse the data used in the manuscript: Catching some air: A method to spatially quantify aerial triazole resistance in <em>Aspergillus fumigatus</em>.</p> <p>In the R script we load and clean the data from the international air sampling pilot, analyse it, generate figures of the sampled regions, the CFU totals and resistance fractions. The genotyping and phenotyping data of isolated resistant strains.</p> <p>The following files are required to run this R script:</p> <ul> <li>RF_air_IP_cleaned.csv This fine contains total and resistance counts as well as metadata on samples from international air sampling pilot and includes the following variables:</li> </ul> <p>Sample ID: an arbitrary number given to the packages prior to them being handed out</p> <p> </p> <p>Country: Country in which sample was taken</p> <p>Region: Circular area with a 50 km radius within which the samples were clustered for analysis</p> <p>City/Town: City/Town in which the sample was taken</p> <p>Start date: date on which the trap was deployed and the stickers exposed to the air</p> <p>End date: date on which the trap was taken down and the stickers were re-covered and no longer exposed to the air</p> <p>Total.ITR: A. fumigatus CFU count in the permissive layer of the itraconazole-treated plate</p> <p>Res.ITR: CFU count of colonies that had breached the surface of the itraconazole-treated layer after incubation and were visually (with the unaided eye) sporulating.</p> <p>RF.ITR: The itraconazole (~4 mg/L) resistance fraction = Res.ITR/Total.ITR</p> <p>Total.VOR: A. fumigatus CFU count in the permissive layer of the voriconazole-treated plate</p> <p>Res.VOR: CFU count of colonies that had breached the surface of the voriconazole-treated layer after incubation and were visually (with the unaided eye) sporulating.</p> <p>RF.VOR: The voriconazole (~2 mg/L) resistance fraction = Res.VOR/Total.VOR</p> <p>Total control: CFU count on the untreated growth control plate</p> <p>Date.Batch: The date on which proccessing of the sample was started. To be more specific, the date at which Flamingo medium was poured over the seals of the sample and incubation was started.</p> <p>Note: note on the sample based on either information given the participant or observations in the lab.</p> <p>Exclude: Binary to quickly filter out samples that were considered unsuitable for further analysis either because low or high CFU counts. See manuscript for rationale.</p> <p>Lat: Latitude at the centre of the sampled region, does not relate to sample-specific location.</p> <p>Long: Longitude at the centre of the sampled region, does not relate to sample specific location.</p> <ul> <li>Weather_data_IP_study_nov_dec_jan22_23.csv : contains raw weather data of the sampled regions during the sampling interval of the pilot downloaded from: <a href="https://cds.climate.copernicus.eu/cdsapp#!/dataset/reanalysis-era5-single-levels-monthly-means?tab=overview" target="_blank" rel="nofollow noreferrer noopener">https://cds.climate.copernicus.eu/cdsapp#!/dataset/reanalysis-era5-single-levels-monthly-means?tab=overview</a> (see link for full description of the data and the units). Contains the following variables:</li> </ul> <p>Region: Circular area with a 50 km radius within which the samples were clustered for analysis</p> <p>Wind Nov : 10 m Wind speed (m/S) for the month november 2022 This parameter is the horizontal speed of the wind, or movement of air, at a height of ten metres above the surface of the Earth.</p> <p>Wind Dec : 10 m Wind speed (m/S) for the month december 2022 This parameter is the horizontal speed of the wind, or movement of air, at a height of ten metres above the surface of the Earth.</p> <p>Wind Jan : 10 m Wind speed (m/S) for the month januari 2023 This parameter is the horizontal speed of the wind, or movement of air, at a height of ten metres above the surface of the Earth.</p> <p>UV Nov: UV radiation at the surface (J/m^2) for the month november 2022. This parameter is the amount of ultraviolet (UV) radiation reaching the surface. It is the amount of radiation passing through a horizontal plane.</p> <p>UV Dec: UV radiation at the surface (J/m^2) for the month december 2022. This parameter is the amount of ultraviolet (UV) radiation reaching the surface. It is the amount of radiation passing through a horizontal plane.</p> <p>UV Jan: UV radiation at the surface (J/m^2) for the month januari 2023. This parameter is the amount of ultraviolet (UV) radiation reaching the surface. It is the amount of radiation passing through a horizontal plane.</p> <p>Temp Nov: Temperature (K) for the month november 2022. This parameter is the temperature of air at 2m above the surface of land, sea or inland waters. 2m temperature is calculated by interpolating between the lowest model level and the Earth's surface, taking account of the atmospheric conditions.</p> <p>Temp Dec: Temperature (K) for the month december 2022. This parameter is the temperature of air at 2m above the surface of land, sea or inland waters. 2m temperature is calculated by interpolating between the lowest model level and the Earth's surface, taking account of the atmospheric conditions.</p> <p>Temp Jan: Temperature (K) for the month januari 2023. This parameter is the temperature of air at 2m above the surface of land, sea or inland waters. 2m temperature is calculated by interpolating between the lowest model level and the Earth's surface, taking account of the atmospheric conditions.</p> <p>Precipitation Nov: Total precipitation (m) for the month november 2022. This parameter is the accumulated liquid and frozen water, comprising rain and snow, that falls to the Earth's surface. It is the sum of large-scale precipitation and convective precipitation.</p> <p>Precipitation Dec: Total precipitation (m) for the month december 2022. This parameter is the accumulated liquid and frozen water, comprising rain and snow, that falls to the Earth's surface. It is the sum of large-scale precipitation and convective precipitation.</p> <p>Precipitation Jan: Total precipitation (m) for the month januari 2023. This parameter is the accumulated liquid and frozen water, comprising rain and snow, that falls to the Earth's surface. It is the sum of large-scale precipitation and convective precipitation.</p> <p>lat_rep: Latitude at the centre of the sampled region, does not relate to sample specific location.</p> <p>lon_rep: Longitude at the centre of the sampled region, does not relate to sample specific location.</p> <ul> <li>Genotyping_IP_cleaned.csv : contains the TR-type genotypes of the isolated resistant strains Contains the following variable:</li> </ul> <p>Order: Ordering variable included in the file to readily be able to order the isolates by the order in which they were isolated. Contains the following variables:</p> <p>Strain: Strain code with "I" for strains isolated from itraconazole and V for strains isolated from voriconazole followed by a number indicating the order in which they were isolated from the air sample plate.</p> <p>Air sample: The plate/air sample from which the isolate originates</p> <p>Triazole: The triazole treatment the resistant strain grew on can be ITRA (itraconazole) or VORI (voriconazole)</p> <p>Country: Country in which sample was taken</p> <p>Region: Circular area with a 50 km radius within which the samples were clustered for analysis</p> <h2><a href="#project-status"></a>Project status</h2> <p>The manuscript has been published in AEM under the DOI: https://doi.org/10.1128/aem.00271-24</p>
Data from: Cu-Al mixed oxide-catalysed multicomponent synthesis of gluco- and allofuranose-linked 1,2,3-triazole derivatives
Open the record for dataset details and reuse information.
Data for: On-resin synthesis and late-stage functionalization of macrocyclic atosiban mimetics via 5-iodo-1,4-triazoles
Open the record for dataset details and reuse information.
Research data supporting "Dynamic pH responsivity of triazole-based self-immolative linkers"
<p>Raw data supporting:</p> <p>Roberts D.A. et al., (2020), Chemical Science, DOI: 10.1039/d0sc00532k.</p>
Supplementary Data for "Tuning the Redox Activity of Metal–Organic Frameworks for Enhanced, Selective O2 Binding: Design Rules and Ambient Temperature O2 Chemisorption in a Cobalt–Triazolate Framework"
<p>Supplementary dataset to support "Tuning the Redox Activity of Metal–Organic Frameworks for Enhanced, Selective O<sub>2</sub> Binding: Design Rules and Ambient Temperature O<sub>2</sub> Chemisorption in a Cobalt–Triazolate Framework"</p>
Experimental Data for Dynamic Flow Reactions of 1,2,4-Triazole with Acrylonitrile
<p>The reaction input flow rates, temperatures and concentrations are provided for time intervals of roughly 12 s. At each of these points, the concentration of four species was measured by online benchtop NMR analysis and these concentrations are provided.</p> <p>Experiments 1-7 and the self-optimization data are detailed in the manuscript (part 1).</p>
Exploring Mechanistic Routes for Light Alkane Oxidation with an Iron-Triazolate Metal–Organic Framework
<p>Dataset to accompany "Exploring Mechanistic Routes for Light Alkane Oxidation with an Iron-Triazolate Metal–Organic Framework" by Andrew S. Rosen, Justin M. Notestein, and Randall Q. Snurr</p>
Evaluation of [18F]Fluoroethyl Triazole Labelled [Tyr3]-Octreotate Analogues for the Imaging of Neuroendocrine Tumours.
ClinicalTrials.gov study NCT06456723. IPD Sharing: NO. Countries: 0. Publications: 2.
Scheme 4 from: Ihnatova T, Kaplaushenko A, Frolova Y, Pryhlo E (2021) Synthesis and antioxidant properties of some new 5-phenethyl-3-thio-1,2,4-triazoles. Pharmacia 68(1): 129-133. https://doi.org/10.3897/pharmacia.68.e53320
Scheme 4 Synthesis of salts of 2-(4-)((4-phenyl-5-phenethyl-4H-1,2,4-triazole-3-yl)thio)ethanoic acids.
Scheme 7 from: Ihnatova T, Kaplaushenko A, Frolova Y, Pryhlo E (2021) Synthesis and antioxidant properties of some new 5-phenethyl-3-thio-1,2,4-triazoles. Pharmacia 68(1): 129-133. https://doi.org/10.3897/pharmacia.68.e53320
Scheme 7 Synthesis of 6-((4-R-5-phenethyl-1,2,4-triazole-3-ylthio)pyridine-3-yl)-(alkyl-, heteryl)methanimines.
Data from: Adsorption and corrosion inhibition behavior of new theophylline-triazole based derivatives for steel in acidic medium
The design and synthesis of a series of theophylline derivatives containing 1,2,3-triazole moieties is presented. The corrosion inhibition activities of these new triazole-theophylline compounds were evaluated by studying the corrosion of API 5L X52 steel in 1 M HCl media. The results showed that an increase in the concentration of the theophylline-triazole derivatives also increases the charge transference resistance (Rct) value, enhancing inhibition efficiency and decreasing the corrosion process. The electrochemical impedance spectroscopy under static conditions studies revealed that the best inhibition efficiencies (~90%) at 50 ppm are presented by the all- substituted compounds. According to the Langmuir isotherm, the compounds 4 and 5 analyzed exhibit physisorption-chemisorption process, with exception of the hydrogen 3, bromo 6 and iodo 7 substituted compound, which exhibit chemisorption process. The corrosion when submerging a steel bar in 1 M HCl was studied using SEM-EDS. This experiment showed that the corrosion process decreases considerably in the presence of 50 ppm of the organic inhibitors. Finally, theoretical study showed a correlation between EHOMO, hardness (η), electrophilicity (W), atomic charge and the inhibition efficiency in which the iodo 7 substituted compound presents the best inhibitor behavior.
Data from: Evolution of cross-resistance to medical triazoles in Aspergillus fumigatus through selection pressure of environmental fungicides
Resistance to medical triazoles in Aspergillus fumigatus is an emerging problem for patients at risk of aspergillus diseases. There are currently two presumed routes for medical triazole-resistance selection: (i) through selection pressure of medical triazoles when treating patients and (ii) through selection pressure from non-medical sterol-biosynthesis-inhibiting (SI) triazole fungicides which are used in the environment. Previous studies have suggested that SI fungicides can induce cross-resistance to medical triazoles. Therefore, to assess the potential of selection of resistance to medical triazoles in the environment, we assessed cross-resistance to three medical triazoles in lineages of A. fumigatus from previous work where we applied an experimental evolution approach with one of five different SI fungicides to select for resistance. In our evolved lines we found widespread cross-resistance indicating that resistance to medical triazoles rapidly arises through selection pressure of SI fungicides. All evolved lineages showed similar evolutionary dynamics to SI fungicides and medical triazoles, which suggests that the mutations inducing resistance to both SI fungicides and medical triazoles are likely to be the same. Whole-genome sequencing revealed that a variety of mutations were putatively involved in the resistance mechanism, some of which are in known target genes.
Figure 1 from: Bak PG, Belenichev IF, Kucherenko LI, Abramov AV, Khromylоva OV (2021) Morpho-functional indicators changes of rats' myocardium in experimental doxorubicin-induced chronic heart failure and its pharmacological modulation with new 4-amino-1,2,4-triazole derivative. Pharmacia 68(4): 919-925. https://doi.org/10.3897/pharmacia.68.e75298
Figure 1 Hypothetical mechanism of the compound "Hypertril" positive effect on the morpho-functional parameters of rat cardiomyocytes in experimental doxorubicin-induced CHF.
Figure 5 from: Dovbnya DV, Kaplaushenko AH, Frolova YS, Pruglo ES (2022) Synthesis and antioxidant properties of new (2,4- and 3,4-dimethoxyphenyl)-1,2,4-triazoles. Pharmacia 69(1): 135-142. https://doi.org/10.3897/pharmacia.69.e74107
Figure 5 Mass spectra of 2-((5-(2,4-dimethoxyphenyl)-3H-1,2,4-triazole-3-yl)thio)acetonitrile (2.1).
Figure 4 from: Dovbnya DV, Kaplaushenko AH, Frolova YS, Pruglo ES (2022) Synthesis and antioxidant properties of new (2,4- and 3,4-dimethoxyphenyl)-1,2,4-triazoles. Pharmacia 69(1): 135-142. https://doi.org/10.3897/pharmacia.69.e74107
Figure 4 Mass spectra of 4-((5-(2,4-dimethoxyphenyl)-3H-1,2,4-triazole-3-yl)thio)butanenitrile (2.3).
Figure 2 from: Dovbnya DV, Kaplaushenko AH, Frolova YS, Pruglo ES (2022) Synthesis and antioxidant properties of new (2,4- and 3,4-dimethoxyphenyl)-1,2,4-triazoles. Pharmacia 69(1): 135-142. https://doi.org/10.3897/pharmacia.69.e74107
Figure 2 Scheme of the synthesis of ((5-(2,4- and 3,4-dimethoxyphenyl)-3H-1,2,4-triazole-3-yl)thio)aceto(propanoic, benzoic)acids (compounds 2.12–2.14).
Figure 1 from: Dovbnya DV, Kaplaushenko AH, Frolova YS, Pruglo ES (2022) Synthesis and antioxidant properties of new (2,4- and 3,4-dimethoxyphenyl)-1,2,4-triazoles. Pharmacia 69(1): 135-142. https://doi.org/10.3897/pharmacia.69.e74107
Figure 1 Scheme of the synthesis of ((5-(2,4- and 3,4-dimethoxyphenyl)-3H-1,2,4-triazole-3-yl)thio)aceto(propano-, butano-, benzo)nitriles (compounds 2.1–2.11).
Figure 3 from: Dovbnya DV, Kaplaushenko AH, Frolova YS, Pruglo ES (2022) Synthesis and antioxidant properties of new (2,4- and 3,4-dimethoxyphenyl)-1,2,4-triazoles. Pharmacia 69(1): 135-142. https://doi.org/10.3897/pharmacia.69.e74107
Figure 3 IR spectra of 2-(((5-(3,4-dimethoxyphenyl)-3H-1,2,4-triazole-3-yl)thio)methyl)benzonitrile (2.9).
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