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Figure 2 in Characterization of the orchid bee Euglossa viridissima (Apidae: Euglossini) and a novel cryptic sibling species, by morphological, chemical, and genetic characters

Figure 2. Allele size distribution of Euglossa viridissima- like males from the Yucatán peninsula, Mexico, at the microsatellite locus ann02. Overall, bidentate males (grey bars) had significantly smaller allele sizes than tridentate individuals (black bars), and there was little overlap in allele size. The seven individuals indicated as red circles were also tridentate, but had been clustered with bidentate males in the analysis of perfume similarity (see Fig. 1), lacking HNDB. These seven individuals had the third (central) mandibular tooth significantly displaced towards the tip of the mandible (nearer to the distal tooth, see Fig. 3B), unlike in other tridentate males. Their ann02 allele size suggests that they in fact belong to the bidentate lineage. See text for further explanation.

Figure 4 in Characterization of the orchid bee Euglossa viridissima (Apidae: Euglossini) and a novel cryptic sibling species, by morphological, chemical, and genetic characters

Figure 4. Results of a PCA of 15 morphological variables measured in male Euglossa viridissima and Euglossa dilemma sp. nov. Components 1 and 3, which showed significant differences between the species, are used for this two-dimensional representation. Note that E. dilemma shows slightly less variability and is essentially nested within E. viridissima morphospace. Centroids of distributions are shown.

Figure 3. A in Characterization of the orchid bee Euglossa viridissima (Apidae: Euglossini) and a novel cryptic sibling species, by morphological, chemical, and genetic characters

Figure 3. A, Euglossa viridissima-like males attracted to a bait dish at Xmatkuil, Yucatán, Mexico. B, mandibular morphology of males of tridentate Euglossa dilemma sp. nov., and tridentate and bidentate males of E. viridissima. The position of the central mandibular tooth in tridentate individuals is expressed as the ratio of the distance between the distal and the central tooth to the distance between the central and the basal tooth. Means and standard deviations are given.

Figure 1 in Characterization of the orchid bee Euglossa viridissima (Apidae: Euglossini) and a novel cryptic sibling species, by morphological, chemical, and genetic characters

Figure 1. Differences in the chemical composition of tibial perfumes between tridentate (black circles) and bidentate (grey circles) Euglossa viridissima-like males as revealed by a multidimensional scaling (MDS) analysis. Only tridentate males contained HNDB. Tridentate males without HNDB are highlighted (red symbols).

opencc-by-4.0Mar 2024View details →

Molecular docking and quantum-chemical characterization of inhibitory activity of procyanidins and flavonol glucosides from Graptopetalum paraguayense E. Walther against nonstructural proteins of SARS-Cov-2

The dataset includes: <ol> <li>Optimized geometries of all ligands, NSPs and their complexes in gas phase</li> <li>Total energies (a.u.) and interaction energies (a.u. and kcal mol-1) of the complexes, ligands and NSPs in gas phase and in argon</li> <li>Mass spectra (full ms) and product ion spectra (ms2) of standards and identified components from GP. </li> <li>Output files from quantum-chemical calculations.</li> <li>pdb files of NSPs</li> <li>mol files of all complexes</li> </ol>

opencc-by-4.0Mar 2022View details →

Chemical characterization of deep-sea corals from the continental slope of Santos Basin (southeastern Brazilian upper margin)

Supplementary Material of the article "Chemical characterization of deep-sea corals from the continental slope of Santos Basin (southeastern Brazilian upper margin)": - Supplementary Material Table S1: Correlation between elementary ratios (mmol mol-1), carbon and oxygen stable isotopics composition (δ13C and δ18O, &permil;) in corals and environmental parameters: temperature (T ºC), salinity (Sal) and depth (Dep; m). Pearson's correlation coefficient (r) \ p value. Significant correlations in bold.

opencc-by-4.0May 2024View details →

A large intestinal calculus from the Pleistocene of Paraguay: characterization by physical and chemical techniques

All data in this study are raw, with no modifications such as baseline adjustments, noise reduction filters, or other alterations to the spectra, signals, or images. The X-ray fluorescence data, exported using Bruker software in txt format, are organized in the EDXRF folder. This data spans five regions and is presented in two columns: energy in KeV and intensity, all found in the EDXRF.zip file. Raman data, also in txt format, include 10 representative spectra chosen and exported using BWSpec® software. These spectra feature Raman Shifts (cm-1) and the intensities of the Raman bands, accessible in the Raman.zip file. Similarly, the 10 representative infrared responses by FTIR are in txt format, with data exported via the IRAffinity-1S software, showing wavenumber and intensity in the FTIR.zip file. The diffraction pattern data, detailing diffraction angle (2 theta deg) and intensity, is available in txt and .xrdml formats within the XRD.zip file. Microscale images from SEM EDS are provided in png format, comprising 7 images of different areas at varying magnifications, located in the SEM-EDS.zip file. Additionally, the computed tomography images, along with the necessary auxiliary files, are stored in the Tomography.zip file.

opencc-by-4.0Sep 2023View details →

Chemical and Structural In-Situ Characterization of Model Electrocatalysts by Combined Infrared Spectroscopy and Surface X-Ray Diffraction

Raw and treated data

opencc-by-4.0Jun 2024View details →

Electrochemical and physico-chemical characterization of ALD prepared thin films

The compressed folder contains electrochemical and physico-chemical characterization of thin films prepared by Atomic Layer Deposition at University of Milano-Bicocca, within the framework of NEUREKA (A smart, hybrid neural-computo device for drug discovery).

opencc-by-4.0Aug 2024View details →

Best-fit Abundances, Observed Spectra and Spectral Models for the New Sample of Ultracool Dwarf Benchmarks with Detailed Chemical Characterization

Dataset associated with Fisher et al. 2024 in RNAAS <a href="https://iopscience.iop.org/article/10.3847/2515-5172/ad79f0">[link to publication]</a> <code>summary.mrt</code> is a table of identifiers, photometry, fundamental stellar parameters and detailed chemical compositions for 13 candidate wide binary systems with FGK Main Sequence primaries (5100 K < Teff < 6300 K) and ultracool dwarf companions (2500 K < Teff < 3100 K). Refer to the file header for detailed description of columns and units. <code>stars.zip</code> contains the high-resolution spectra of primaries observed with the Automated Planet Finder (APF, program <code>2021B_A010</code>), as well as the corresponding best-fit spectral models. Each FITS file in the archive represents an individual exposure of the primary. The files are arranged in directories by identifiers of the primaries. The total number of exposures varies from source to source. FITS files are composed of a primary HDU and 6 extensions. <ul> <li>The primary HDU contains the unmodified sky-subtracted spectrum of the object as produced by the APF pipeline and published on <a href="https://jump.caltech.edu/">Jump</a>. The spectrum is stored as a 2D array organized by Echelle orders.</li> <li>The first extension contains the corresponding air wavelengths [in A] transformed to the rest frame of the source.</li> <li>The second extension is the boolean mask of pixels included in model fitting.</li> <li>The third extension is the adopted statistical weights of each pixel, estimated as inverse variances under the assumption of Poisson noise.</li> <li>The fourth extension contains the best-fit synthetic spectrum in CGS units of surface intensity per wavelength in A.</li> <li>The fifth extension is the best-fit spline continuum correction between the model and the data.</li> <li>The final extension contains the adopted FWHM of the line spread function in each pixel, estimated by combining in quadrature a wavelength-dependent component with λ/Δλ=120,000 and a best-fit wavelength independent component (the <code>quickblur</code> parameter of the <a href="https://github.com/Roman-UCSD/chemfit">chemfit</a> package)</li> </ul> This repository is for the research note "New Sample of Ultracool Dwarf Benchmarks with Detailed Chemical Characterization" by Fisher et al. It is associated with manuscript number AAS58102.

Fig. 7 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 7. Agarose gel electrophoresis of MCF-7 cell genomic DNA. 1, ladder marker; 2, negative control; 3, cyclophosphamide (CP)-treated; 4–7, ethanolic extracts of Mimosa caesalpiniifolia leaves (EEM) in different concentrations (5.0; 20.0; 160.0 and 320.0 μg/mL). The results are representative of three independent experiments carried out in the same conditions. DNA ladder formation indicates apoptosis as seen in lanes 3–7.

Fig. 6. MCF-7 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 6. MCF-7 cell death (%) after treatment with cyclophosphamide (CP, 550 μg/mL) and different concentrations (5.0–320.0 μg/mL) of the ethanolic extract of Mimosa caesalpiniifolia leaves (EEM) for 24 h, compared to the negative control cells (NC), estimated by the Fast green color dye exclusion. Results are expressed as mean ± SEM of three independent experiments. Different letters indicate significant differences (p <0.01) by the Tukey test. Inset: appearance of cells after fast green-hematoxylin–eosin staining; 1, living cell; 2, green dead cell. EEM treatment kills MCF-7 cells in a concentrationdependent manner.

Fig. 3 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 3. Morphology of MCF-7 cells stained with hematoxylin–eosin, after 24 and 48 h incubation. NC, negative control cells; CP, cells treated with 550 μg/mL cyclophosphamide; 5, 80 and 320, cells treated, respectively, with 5.0, 80.0 and 320.0 μg/mL ethanolic extract of Mimosa caenalpiniifolia leaves. All the pictures are typical of three independent experiments, each carried out under identical conditions. Bar = 5 μm. Arrow—nucleolus; R—rounding; CC—chromatin condensation.

Fig. 2. MCF-7 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 2. MCF-7 cell protein content decreasing (%), estimated by the sulforhodamine B assay, after treatment with cyclophosphamide (CP, 550 μg/mL) and different concentrations of the ethanolic extract of Mimosa caesalpiniifolia leaves (EEM 5.0 - 320.0 μg/mL) for 24 and 48 h. The results are expressed as mean ± SEM of three independent experiments. Different letters indicate significant differences (p <0.001) by the Tukey test. Protein content was calculated relative to the negative control and 320.0 μg/mL EEM produced the maximum effect.

Fig. 1 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 1. HPLC-DAD-ESI-MS analysis of the ethanolic extract of Mimosa caesalpiniifolia leaves. (A) UV 360 nm; (B) ESI-MS, base peak chromatogram, negative ion mode, m/z 100–1500. No additional peaks were detected when the UV trace was recorded at wavelengths down to 360 nm. Peaks assigned as m/z: 288.97, 318.00, and 576.77 were identified, respectively, as catechin, 2,3 dihydroquercetagetin, and procyanidin B2 [(epi)catechin–(epi)catechin)] (see structures).

Fig. 4. MCF-7 in Ethanolic extract of Mimosa caesalpiniifolia leaves: Chemical characterization and cytotoxic effect on human breast cancer MCF-7 cell line

Fig. 4. MCF-7 cell diameter (μm) after treatment with cyclophosphamide (CP, 550 μg/mL) and different concentrations (5.0–320.0 μg/mL) of the ethanolic extract of Mimosa caesalpiniifolia leaves (EEM) for 24 or 48 h, compared to the negative control cells (NC). Results are expressed as mean ± SEM of three independent experiments. Different letters indicate significant differences (p <0.01) by the Tukey test. Note cell-diameter reduction after treatment, in comparison to the negative control cells, thereby indicating EEM cytotoxicity.

Physico-chemical characterization of sterilized Co2.25Fe0.75O4 nanoparticles by XPS / HAXPES / SEM

Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. Co2.25Fe0.75O4 nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000406, ERM00000448, ERM00000427). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers.  First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a Supra 40 (Zeiss) SEM equipped with a Quantax 400 (Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (Quantes from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: sample_treatment (n), with n a consecutive number. XPS / HAXPES:   For the .spe files Pn.m.o.sample_treatment and for the corresponding .npl files: m.npl with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.

Physico-chemical characterization of sterilized Co0.75Fe2.25O4 nanoparticles by XPS / HAXPES / SEM

Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. Co0.75Fe2.25O4 nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifiers in the project: ERM00000408, ERM00000450, ERM00000429). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers.  First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a Supra 40 (Zeiss) SEM equipped with a Quantax 400 (Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (Quantes from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: sample_treatment (n), with n a consecutive number. XPS / HAXPES:   For the .spe files Pn.m.o.sample_treatment and for the corresponding .npl files: m.npl with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.

Physico-chemical characterization of sterilized ZnO nanoparticles by XPS / HAXPES / SEM

Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. ZnO nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR-Identifiers in the project: ERM00000416, ERM00000458, ERM00000437). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers.  First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a Supra 40 (Zeiss) SEM equipped with a Quantax 400 (Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (Quantes from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: sample_treatment (n), with n a consecutive number. XPS / HAXPES:   For the .spe files Pn.m.o.sample_treatment and for the corresponding .npl files: m.npl with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.

Physico-chemical characterization of sterilized Co3O4 nanoparticles by XPS / HAXPES / SEM

Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. Co3O4 nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000405, ERM00000447, ERM00000426). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers.  First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a Supra 40 (Zeiss) SEM equipped with a Quantax 400 (Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (Quantes from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: sample_treatment (n), with n a consecutive number. XPS / HAXPES:   For the .spe files Pn.m.o.sample_treatment and for the corresponding .npl files: m.npl with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.