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BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Co(II) meso-tetraphenyl porphyrine at high fluence, ~100 electrons per square Angstrom) at 200 keV

This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: "CompoundName_AcceleratingVoltage_Temperature.zip" Diffraction datasets within each folder are named according to the format: CompoundName_static_diffraction_AcceleratingVoltage_Temperature_series#.mrc

BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Co(II) meso-tetraphenyl porphyrin) at 200 keV

BIR-MicroED: selected area electron diffraction datasets from tilting microcrystals, with multiple sweeps of data collected on each crystal (Co(II) meso-tetraphenyl porphyrin) at 200 keV

<div> This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). For each crystal, multiple subsequent sweeps (passes) at the same incident flux covering the same angular range are given. Zip files are named according to the format: "CompoundName_multipass_RotationSpeed_FrameRate_SpotSize_tiltseries_Temperature.zip" Where spot size 11 = 0.01 electrons per square Angstrom per second incident flux, and spot size 10 = 0.03 electrons per square Angstrom per second incident flux Diffraction datasets within each folder are named according to the format: "CompoundName_tiltseries_AcceleratingVoltage_Temperature_IncidentFlux_crystal#sweep#.mrc" Where crystal1sweep1 and crystal1sweep2 indicate the first and second sweep of data acquired on the same crystal, respectively. </div>

BIR-MicroED: selected area electron diffraction datasets from slowly rotating (0.09 degrees/second) microcrystals (biotin, Zn(II)-methionine, and Co(II)-porphyrin) at 200 keV

This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: "CompoundName_slowrotation_0pp09dps_tiltseries_Temperature.zip" Diffraction datasets within each folder are named according to the format: "CompoundName_slowrotation_0p09dps_tiltseries_AcceleratingVoltage_Temperature_series#.mrc"

BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Zn(II)-histidine, Co(II) meso-tetraphenyl porphyrin, AVAAGA) at 300 keV

This deposition contains a series zip files each containing electron diffraction datasets in .tvips file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: "CompoundName_AcceleratingVoltage_Temperature.zip" Diffraction datasets within each folder are named according to the format: CompoundName_static_diffraction_AcceleratingVoltage_Temperature_series#.tvips

opencc-by-4.0Feb 2022View details →

Database for the Geospatial Synthesis of Biogeochemical Attributions of Porphyrins to Oil Pollution in Marine Sediments of the Gulf of México

This dataset is associated with the journal article "Geospatial Synthesis of Biogeochemical Attributions of Porphyrins to Oil Pollution in Marine Sediments of the Gulf of México" by Muñoz-Arriola and Macias-Zamora (2022). The porphyrin and biogeochemical data were obtained by and analyzed at the Universidad Autónoma de Baja California's Instituto de Investigaciones Oceanológicas. The samples were collected to identify the effects of natural and human-originated oil spills in the Campeche Sound, and these efforts are part of the oceanographic campaign Xaman-Ek.   Associated references are: Munoz-Arriola, F. and V. Macias-Zamora (2022) Geospatial Synthesis of Biogeochemical Attributions of Porphyrins to Oil Pollution in Marine Sediments of the Gulf of México. Geosciences. https://doi.org/10.3390/ geosciences12020077. Macias-Zamora, J. V., J. A. Villaescusa-Celaya; A. Munoz-Barbosa; and G. Gold-Bouchot (1999). Trace metals in sediment cores from the Campeche shelf, Gulf of Mexico. Environmental Pollution. Vol 104:69-77.

opencc-by-4.0May 2022View details →

Data from: Photoinactivation of Yeast and Biofilm Communities of Candida albicans Mediated by ZnTnHex-2-PyP4+ Porphyrin

Data supporting the figures presented in the research article Photoinactivation of Yeast and Biofilm Communities of Candida albicans Mediated by ZnTnHex-2-PyP4+ Porphyrin.   Candida albicans is the main cause of superficial candidiasis. While the antifungals available are defied by biofilm formation and resistance emergence, antimicrobial photodynamic inactivation (aPDI) arises as an alternative antifungal therapy. The tetracationic metalloporphyrin Zn(II) meso-tetrakis(N-n-hexylpyridinium-2-yl)porphyrin (ZnTnHex-2-PyP4+) has high photoefficiency and improved cellular interactions. We investigated the ZnTnHex-2-PyP4+ as a photosensitizer (PS) to photoinactivate yeasts and biofilms of C. albicans strains (ATCC 10231 and ATCC 90028) using a blue light-emitting diode. The photoinactivation of yeasts was evaluated by quantifying the colony forming units. The aPDI of ATCC 90028 biofilms was assessed by the MTT assays, propidium iodide (PI) labeling, and scanning electron microscopy. Mammalian cytotoxicity was investigated in Vero cells using MTT assay. The aPDI (4.3 J/cm2) promoted eradication of yeasts at 0.8 and 1.5 µM of PS for ATCC 10231 and ATCC 90028, respectively. At 0.8 µM and same light dose, aPDI-treated biofilms showed intense PI labeling, about 89% decrease in the cell viability, and structural alterations with reduced hyphae. No considerable toxicity was observed in mammalian cells. Our results introduce the ZnTnHex-2-PyP4+ as a promising PS to photoinactivate both yeasts and biofilms of C. albicans, stimulating studies with other Candida species and resistant isolates.

opencc-by-4.0Oct 2022View details →

Data set for the journal article: Tandem electrocatalytic CO2 reduction with Fe-porphyrins and Cu nanocubes enhances ethylene production

Copper-based tandem schemes have emerged as promising strategies to promote the formation of multi-carbon products of the electrocatalytic CO2 reduction reaction. In such approaches, the CO-generating component of the tandem catalyst increases the local concentration of CO and thereby enhances the intrinsic carbon-carbon (C-C) coupling on copper. However, the optimal characteristics of the CO-generating catalyst for maximizing eventual C2 production are currently unknown. In this work, we developed tunable tandem catalysts comprising iron porphyrin (Fe-Por), as the CO-generating component, and Cu nanocubes (Cucub) to understand how the turnover frequency for CO (TOFCO) of the molecular catalysts impacts C-C coupling on the Cu surface. First, we tuned the TOFCO of the Fe-Por by varying the number of orbitals involved in the π-system. Then, by coupling these molecular catalysts with the Cucub, we assessed the current densities and faradaic efficiencies, discovering that all of the designed Fe- Por boost ethylene production. The most efficient Cucub/Fe-Por tandem catalyst was the one including the Fe-Por with the highest TOFCO and exhibited a nearly 22-fold increase in the ethylene selectivity and 100 mV positive shift of the onset potential with respect to the pristine Cucub. These results reveal that coupling the TOFCO tunability of molecular catalysts along with copper nanocatalysts opens up new possibilities towards the development of Cu-based catalysts with enhanced selectivity for multi-carbon product generation at low overpotential.

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Single-cell profiling reveals immune-based mechanisms underlying tumor radiosensitization by a novel Mn porphyrin clinical candidate, MnTnBuOE-2-PyP5+ (BMX-001)

Manganese porphyrins reportedly exhibit synergic effects when combined with irradiation. However, an in-depth understanding of intratumoral heterogeneity and immune pathways, as affected by Mn porphyrins, remains limited. Here, we explored the mechanisms underlying immunomodulation of a clinical candidate, MnTnBuOE-2-PyP5+ (BMX-001, MnBuOE), using single-cell analysis in murine carcinoma model. Mice bearing 4T1 tumors were divided into 4 groups: control, MnBuOE, radiotherapy (RT), combined MnBuOE, and radiotherapy (MnBuOE/RT). In epithelial cells, epithelial-mesenchymal transition, TNF-α signaling via NF-кB, angiogenesis, and hypoxia-related genes were significantly downregulated in the MnBuOE/RT compared to the RT. All subtypes of cancer-associated fibroblasts (CAFs) were reduced in MnBuOE and MnBuOE/RT. Inhibitory receptor-ligand interactions, in which epithelial cells and CAFs interacted with CD8+ T cells, were significantly lower in the MnBuOE/RT than in the RT. Trajectory analysis showed that DC maturation-associated markers were increased in MnBuOE/RT. M1 macrophages were significantly increased in the MnBuOE/RT compared to the RT, whereas myeloid-derived suppressor cells were decreased. CellChat analysis showed that the number of cell-cell communications was the lowest in the MnBuOE/RT. Our study is the first to provide evidence for the combined radiotherapy with a novel Mn porphyrin clinical candidate, BMX-001 from the perspective of each cell type within the tumor microenvironment.

opencc-zeroApr 2024View details →

opencc-by-4.0Sep 2024View details →

EBEC-MicroED: Static electron diffraction movies collected at different incident flux on a direct electron detector (DE Apollo) on crystals of (S,S) Jacobsen's salen ligand and Co(II) porphyrin, and diffraction tilt series recorded on the DE Apollo and CetaD detector for the same crystals of Jacobsen's Ligand

This record contains static diffraction movies recorded from crystals of (S,S) Jacobsen's salen ligand, and crystals of Co(II) meso-tetraphenyl porphyrin, using a direct electron detector (DE Apollo) in counting mode. Data were acquired at varying different incident flux settings, referred to as "spotsize11" or "spot11" (0.01 electrons per square Angstoms per second),  "spotsize10" or "spot10" (0.03 electrons per square Angstrom per second),  "spotsize9" or "spot9" (0.045 electrons per square angstrom per second)", and "spotsize8" or "spot8" (0.084 electrons per sqaure Angstrom per second. For each compound these trials, the same crystal ("crystal1", "crystal2", etc.) was conserved across a dose series, and illuminated at each incident flux from lowest to highest in sequence. Additionally, this record contains diffraction tilt series acquired from crystals of (S,S) Jacobsen's ligand, first on the Ceta D and next on the DE Apollo, rotating at 2 degrees per second with an incident flux of either 0.01 or 0.045 electrons per square Angstrom per second. All data is saved in mrc file format, with the exception of movies from the Ceta D, which are saved in ser file format.

opencc-by-4.0Jan 2023View details →

Data from: A novel strategy based on Zn(II) porphyrins and silver nanoparticles to photoinactivate Candida albicans

Data supporting the figures presented in the research article "A novel strategy based on Zn(II) porphyrins and silver nanoparticles to photoinactivate Candida albicans" Background: Photodynamic inactivation (PDI) has been an attractive alternative to treat Candida albicans infections, especially considering the spread of resistant strains. The combination of the photophysical advantages of Zn(II) porphyrins (ZnPs) and the plasmonic effect of silver nanoparticles (AgNPs) has the potential to further improve PDI. In this context, this study aimed to evaluate PDI action in C. albicans using ZnTnHex-2-PyP4+ or ZnTE-2-PyP4+ associated with AgNPs. Methods: AgNPs stabilized with polyvinylpyrrolidone (PVP) were chosen to allow for (i) overlap between NP extinction and ZnP absorption spectra and (ii) favor AgNPs-ZnPs contact; prerequisites for exploring the plasmonic effect. Optical and zeta potential (ζ) characterizations were performed, and ROS generation was also evaluated. Yeasts were incubated with ZnPs alone or in combination with AgNPs (AgNPs-ZnPs systems), at various concentrations of ZnPs and two proportions of AgNPs, then irradiated with a blue LED. Interactions between yeasts and the systems (ZnP alone or AgNPs-ZnPs) were evaluated by fluorescence microscopy. Results: Subtle spectroscopic changes were observed for ZnPs after association with AgNPs, and the ζ analyses confirmed AgNPs-ZnPs interaction. PDI using ZnP-hexyl (0.8 µM) and ZnP-ethyl (5.0 µM) promoted a 3 and 2 log10 reduction of yeasts, respectively. On the other hand, AgNPs-ZnP-hexyl (0.2 µM) and AgNPs-ZnP-ethyl (0.6 µM) systems led to complete fungal eradication under the same parameters and lower porphyrin concentrations. An increase in the ROS level was observed when ZnPs were associated with AgNPs. Enhanced interaction of yeasts with AgNPs-ZnPs was observed, when compared with ZnPs alone. Conclusion: We hypothesize that the plasmonic effect combined with the greater interactions between cells and AgNPs-ZnPs systems resulted in an efficient and improved C. albicans yeast PDI, encouraging further developments toward inactivation of resistant Candida spp.

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Single-cell profiling reveals immune-based mechanisms underlying tumor radiosensitization by a novel Mn porphyrin clinical candidate, MnTnBuOE-2-PyP5+ (BMX-001)

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publicApr 2024View details →

opencc-by-4.0Dec 2023View details →

π-Conjugated Metal Free Porphyrin as Organic Cathode for Aluminum Batteries

A metal-free porphyrin (TDPP) with a diphenylamino-Phenyl group is proposed as an electrode for aluminum-based batteries. The electrochemical performance is explored thoroughly. The extended porphyrin conjugated structure by the diphenylamino-phenyl groups shows a reversible capacity of 83 mAh.g-1 at 1 A. g-1 after 200 cycles and good cycling stability.

UV-Vis spectroscopic investigation of WS2 flakes, AuNP@WS2 and porphyrin-functionalized AuNP@WS2

This dataset contains UV-Vis spectroscopic analysis of WS2 nanoflakes decorated with Au NP and THPP (5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin).

DLS measurements of AuNPs and porphyrin liposomes

This dataset contains DLS (dynamic light scattering) investigations on AuNPs and porphyrin liposomes.

opencc-zeroApr 2024View details →

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Data from: Numerical data for systemic effects of photoactivated 5,10,15,20-tetrakis(N-methylpyridinium-3-yl) porphyrin on healthy Drosophila melanogaster

Porphyrins are commonly used as photosensitizing agents (PA) in photodynamic therapy (PDT), a non-invasive method predominantly used for the treatment of subcutaneous tumors. Development of novel PA with increased tissue selectivity and effectiveness is important for the wider use of PDT in the treatment of various types of cancers. We used Drosophila melanogaster as a model organism to study the systemic effects of 5,10,15,20-tetrakis(N-methylpyridinium-3-yl)-porphyrin (TMPyP3). First, we defined the optimal feeding protocol and showed that TMPyP3 was absorbed and retained longer in the neuronal than the non-neuronal extracts. Hydrogen peroxide (H2O2) concentration increased 24 hours after the photoactivation of orally delivered TMPyP3 but only in the head extracts. After 7 days, regardless of the photoactivation, TMPyP3 led to lower concentration of H2O2, which correlated with the decreased climbing ability measured as negative geotaxis. The results suggest that systemic treatment with TMPyP3 may interfere with redox regulation and thus impair cellular signaling and behavioral output. Further studies are needed to establish the disruptive effect that porphyrins have on redox homeostasis, how long it persists, and mechanistic differences of retention between different tissues.

opencc-by-4.0Nov 2024View details →

Data from the paper "Porphyrin central metal ion driven self-assembling in heterogeneous ZnTPP – CoTPP films grown on Fe(001)-p(1 × 1)O"

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