Resultados totales (Incluyendo duplicados): 34661
Encontrada(s) 3467 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382392
Dataset. 2024

FIGURE 5. EFFECT OF ML MODELS AND THRESHOLDS ON THE TYPE OF DETECTED SWR

  • Menéndez de la Prida, Liset
  • Navas-Olive, Andrea
  • Rubio, Adrián
Frequency of True Positive SWR detected by each architecture. Each dot represents the mean frequency of detected ripples of one test session (21 sessions from 8 animals). e) Spectral power of True Positive events detected by each architecture. Same boxplot representation as in d)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/382392, https://doi.org/10.6084/m9.figshare.24999170.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382392
HANDLE: http://hdl.handle.net/10261/382392, https://doi.org/10.6084/m9.figshare.24999170.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382392
PMID: http://hdl.handle.net/10261/382392, https://doi.org/10.6084/m9.figshare.24999170.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382392
Ver en: http://hdl.handle.net/10261/382392, https://doi.org/10.6084/m9.figshare.24999170.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382392

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382395
Dataset. 2024

FIGURE 4. COMPARISON BETWEEN BEST PERFORMING ML MODELS

  • Menéndez de la Prida, Liset
  • Navas-Olive, Andrea
  • Rubio, Adrián
a) F1 against threshold from the 10-best models of each architecture as evaluated in the test set, and the 10-best filters of all possible parametric combinations. Each line represents the performance of one trained model, colored by its maximal F1 (mean from all sessions is plotted in dark color). b) F1-scores for the best model of panel A, and ensemble model of panel e). Thresholds used are: 0.4 for XGBoost, 0.5 for SVM, 0.4 for LSTM, 0.1 for CNN2D, 0.5 for CNN1D, 4.5SD for Filter. c) Stability index for the same models as in panel b) (bottom), and the stability index vs the F1 (top). d) Similarity between predicted events of different architectures. Models are the same as in panels b)-c). To measure the similarity, the mean F1 across test sessions have been computed, using detected events in the y-axis as detections, and detected events in the x-axis as ground truth. Note the similarity between LSTM and 1D-CNN (white *), and that by XGBoost against SVM, LSTM and 1D-CNN (white +). e) Ensemble model, trained using the output of the best models of the machine learning architectures. Weights were: w1=-0.11 (XGBOOST); w2=-1.56 (SVM); w3=5.33 (LSTM); w4= 2.03 (2D-CNN); w5= 4.07 (1D-CNN); bias= -4.97. On the right, mean F1 score (line) ±95% confidence interval (shadow) for test sessions. Maximum F1-score and stability index for test sessions has been included in panels b) and c) to facilitate comparison with the rest of the methods., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/382395, https://doi.org/10.6084/m9.figshare.24999164.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382395
HANDLE: http://hdl.handle.net/10261/382395, https://doi.org/10.6084/m9.figshare.24999164.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382395
PMID: http://hdl.handle.net/10261/382395, https://doi.org/10.6084/m9.figshare.24999164.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382395
Ver en: http://hdl.handle.net/10261/382395, https://doi.org/10.6084/m9.figshare.24999164.v2
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382395

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382880
Dataset. 2025

HIGH THROUGHPUT SCREENING OF FIVE COMPOUND LIBRARIES FOR ANTHELMINTIC ACTIVITY AND TOXICITY LEADS TO THE DISCOVERY OF TWO FLAVONOID COMPOUNDS

  • Galli, Giulio
  • Ruiz-Somacarrera, Marta
  • González del Palacio, Laura
  • Melcón-Fernández, Estela
  • González Pérez, Rubén
  • García Estrada, Carlos
  • Martínez Valladares, María
  • Balaña-Fouce, Rafael
Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/382880
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382880
HANDLE: http://hdl.handle.net/10261/382880
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382880
PMID: http://hdl.handle.net/10261/382880
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382880
Ver en: http://hdl.handle.net/10261/382880
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/382880

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383040
Dataset. 2024

PHYSICO-CHEMICAL PROPERTIES OF SAHARAN DUST SAMPLES DEPOSITED ACROSS EUROPE IN MARCH 2022 AND COLLECTED THROUGH A PARTICIPATORY APPROACH

  • Xu-Yang, Yangjunjie
  • Skonieczny, Charlotte
  • Ayrault, Sophie
  • Barbier, Jean-Sébastien
  • Bizeul, Rémi
  • Bryskere, Octave
  • Chaboche, Pierre-Alexis
  • Chalaux Clergue, Thomas
  • Corcho Alvarado, José A.
  • Foucher, Anthony
  • Karsenti, Alice
  • Leblanc, Maxime
  • Orizaola, Germán
  • Plautre, Amélie
  • Röllin, Stefan
  • Taraconat, Nirina
  • Tenaud, Nicolás
  • Valdés, Ana Elisa
  • Dulac, François
  • Evrard, Olivier
A particularly long and dense episode of airborne dust transport crossed Spain, France and part of Europe from 15 to 18 March 2022. This episode led to significant dust deposits on cars, roofs, etc., which may have caused surprise or concern among the general public. Based on association reports, several media published articles stating that this dust contained an artificial radionuclide, cesium-137 (137Cs), the source of which was attributed to the French nuclear tests conducted in the Sahara early in the 1960s. In order to provide a solid and representative scientific basis for a better characterisation of this dust and its radionuclide content, a participatory call for the collection of about ten grams of dust in different sites in France and Europe was launched on 17 March 2022 on the social network Twitter by Olivier Evrard. It was then relayed by Germán Orizaola, generating numerous reactions and the collection of several dozen samples in France, Spain and other neighbouring countries in Europe. The current dataset provides general information about the location/time of sample collection (n=110 samples) and data about the content of dust samples in cesium-137 (137Cs), an artificial radionuclide emitted by nuclear atmospheric tests and accidents (Evrard et al., 2020). Samples (2-80g) were analysed using the ultra-low background Germanium HyperPure gamma spectrometry detectors of LSCE installed in the underground facilities at both University Paris-Saclay (Gif-sur-Yvette) and Modane (Underground Lab of Modane, France). Filters were analysed for 80,000 to 200,000 s to obtain sufficient counting statistics (for the detection of the 137Cs peak at 662 keV). All results were expressed in Bq kg−1 with activities decay-corrected to the sampling date. Counting efficiencies and reliability were conducted using certified International Atomic Energy Agency (IAEA) standards (IAEA-444, 135, 375, RGU-1 and RGTh-1) prepared in the same containers as the samples. Additional data regarding other physico-chemical properties analysed in these dust samples has been added in June 2024., This work benefited from the French state aid managed by the ANR under the "Investissements d'avenir" programme with the reference ANR-11-IDEX-0004 -17-EURE-0006. The support of the team from the Laboratoire Souterrain de Modane (Laboratoire de Physique Subatomique et de Cosmologie - LPSC Grenoble, CNRS, Université Grenoble-Alpes France) is also acknowledged., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/383040
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383040
HANDLE: http://hdl.handle.net/10261/383040
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383040
PMID: http://hdl.handle.net/10261/383040
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383040
Ver en: http://hdl.handle.net/10261/383040
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383040

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383224
Dataset. 2024

DUSP1 AND SOX2 EXPRESSION DETERMINE SQUAMOUS CELL CARCINOMA OF THE SALIVARY GLAND PROGRESSION [DATASET]

  • Sastre-Perona, Ana
  • Acero, Lucia
Compared control A253 cells with DUSP1 or SOX2 KO cells to identify differentially expressed genes., Salivary gland squamous cell carcinomas (SG-SCCs) are a rare type of head and neck cancers which are linked to poor prognosis. Due to their low frequencies, the molecular mechanisms responsible for their aggressiveness are poorly understood. In this work we studied the function of the phosphatase DUSP1, a negative regulator of MAPK activity, in controlling the progression of SG-SCCs. We generated DUSP1 KO clones in A253 human cells. These clones showed a reduced ability to grow in 2D, self-renew in ECM matrices and grow tumors in immunodeficient mice. This was caused by an overactivation of the stress and apoptosis kinase JNK1/2 in DUSP1-KO clones. Interestingly, RNAseq analysis revealed that the expression of SOX2, a well know self-renewal gene was decreased at the mRNA and protein level. Unexpectedly, CRISPR-KO of SOX2 did not recapitulate DUSP1-KO phenotype, and SOX2-null cells had an enhanced ability to self-renew and grow tumors in mice. Gene expression analysis demonstrated that SOX2-null cells have a decreased squamous differentiation profile -losing TP63 expression- and an increased migratory phenotype, with an enhanced epithelial to mesenchymal transition signature. In summary, our data indicates that DUSP1 and SOX2 have opposite functions in SG-SCC, being DUSP1 necessary for tumor growth and SOX2 dispensable, and with a tumor suppressor function. Our data will suggest that the expression SOX2 and DUSP1 could be a useful biomarker to predict the progression of patients with SG-SCCs., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/383224
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383224
HANDLE: http://hdl.handle.net/10261/383224
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383224
PMID: http://hdl.handle.net/10261/383224
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383224
Ver en: http://hdl.handle.net/10261/383224
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383224

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383313
Dataset. 2025

DRIVERS OF DISSOLVED ORGANIC MATTER PROCESSING IN SUBTERRANEAN ESTUARIES

  • Calvo-Martín, Elisa
  • Álvarez-Salgado, Xosé Antón
  • Pazo Fernández, María José
  • Vieitez dos Santos, Vanesa
  • Ibánhez, J. Severino P.
The item is made of an excel file, of which the second sheet of the dataset include a small description of the measured variables, Dissolved organic carbon, absorption coefficients of the coloured dissolved organic matter, fluorescent dissolved organic matter peaks (peak T, peak C, peak M and peak A) and optical indexes of the water collected from one well, two boreholes, one river and two surface seawater stations and the porewater extracted from Panxón and Ladeira beaches at the Ría de Vigo (NW Iberian Peninsula), SUBACID project (SUBmarine groundwater discharge (submarine groundwater discharge) impact on coastal ACIDification processes in contrasting Atlantic Shores: toward securing ecosystem services and food production). Irish Research Council and the European Union’s Horizon 2020 Research and Innovation Program under the Marie Skłodowska-Curie grant agreement No. 713279 through the CAROLINE program (CLNE/2017/210), Peer reviewed

Proyecto: EC/H2020/713279
DOI: http://hdl.handle.net/10261/383313, https://doi.org/10.20350/digitalCSIC/17160
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383313
HANDLE: http://hdl.handle.net/10261/383313, https://doi.org/10.20350/digitalCSIC/17160
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383313
PMID: http://hdl.handle.net/10261/383313, https://doi.org/10.20350/digitalCSIC/17160
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383313
Ver en: http://hdl.handle.net/10261/383313, https://doi.org/10.20350/digitalCSIC/17160
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383313

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383378
Dataset. 2024

SUPPLEMENTARY INFORMATION FOR TRANSPORT AND REACTIVITY OF NITROUS OXIDE AND METHANE IN TWO CONTRASTING SUBTERRANEAN ESTUARIES

  • Calvo-Martín, Elisa
  • Paz, M. de la
  • Álvarez-Salgado, Xosé Antón
  • Pazo Fernández, María José
  • Vieitez dos Santos, Vanesa
  • Ibánhez, J. Severino P.
2 files, Supplementary material for https://doi.org/10.1002/lno.12622, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/383378
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383378
HANDLE: http://hdl.handle.net/10261/383378
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383378
PMID: http://hdl.handle.net/10261/383378
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383378
Ver en: http://hdl.handle.net/10261/383378
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383378

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383400
Dataset. 2025

BASAL AREA INCREMENT AND CLIMATE DATA FROM LONG-TERM SILVICULTURE MONITORING SITES IN SPAIN (SILVADAPT.NET) [DATASET]

INCREMENTO DE ÁREA BASAL Y DATOS CLIMÁTICOS DE SITIOS EXPERIMENTALES DE SILVICULTURA A LARGO PLAZO EN ESPAÑA (SILVADAPT.NET).

  • Manrique-Alba, Àngela
  • Molina, Antonio J.
  • Beguería, Santiago
  • Camarero, Jesús Julio
  • Barberá, Gonzalo G.
  • Blanco, Juan A.
  • Cachinero-Vivar, Antonio M.
  • Castillo, Víctor M.
  • Campo García, Antonio Dámaso del
  • Hernández, Álvaro
  • Imbert, J. Bosco
  • Jiménez, María N.
  • Lo, Yueh-Hisn
  • Lucas-Borja, Manuel E.
  • Moreno, Gerardo
  • Navarro, Francisco B.
  • Navarro-Cerrillo, Rafael M.
  • Ripoll, Mª Ángeles
  • Sánchez-Miranda, Ángela
[EN] It contains a file in CSV (Comma-Separated Values) format. The file includes data on experimental sites, species, plots, trees, core, year, period, treatments, BAI, SPEI, STI_spr, STI_sum, and STI_aut across 14 columns. The file can be opened with any text editor, spreadsheet software, or programming language. For more information, refer to the readme.pdf document., [ES] Contiene un fichero en formato de texto separado por comas (CSV). El fichero contiene datos de sitios experimentales, especies, parcelas, árboles, core, año, periodo, tratamientos, BAI, SPEI, STI_spr, STI_sum, STI_aut en 14 columnas. El archivo puede ser leído por cualquier editor de texto, hoja de cálculo o lenguaje de programación. Para más información, consultar el documento readme.pdf., [EN] The Basal Area Increment and Climate Data from Long-Term Silviculture Monitoring Sites in Spain (SilvAdapt.net) Dataset offers a comprehensive long-term time series of growth and climate data. It includes compiled basal area increment data from 19 experimental sites, which includes different thinning treatments: control, moderate and heavy and four pine species: Pinus halepensis Mill., Pinus pinaster Aiton, Pinus nigra Arnold, and Pinus sylvestris L. The sites cover a wide geographical and altitudinal range, representing a significant part of the species' distribution. Additionally, the dataset provides standardized climatic indices, including the Standardized Precipitation Evapotranspiration Index (SPEI) and Standardized Temperature Indices for spring (STIspr), summer (STIsum), and autumn (STIaut)., [ES] El conjunto de datos Incremento de Área Basal y Datos Climáticos de Sitios experimentales de Silvicultura a Largo Plazo en España (SilvAdapt.net), ofrece una serie temporal de largo plazo con datos de crecimiento y de clima. Incluye datos compilados de incremento de área basal de 19 sitios experimentales, que incluyen diferentes tratamientos de claras (control, moderado y fuerte) y cuatro especies de pinos: Pinus halepensis Mill., Pinus pinaster Aiton, Pinus nigra Arnold y Pinus sylvestris L. Los sitios abarcan un amplio rango geográfico y altitudinal, representando una parte significativa de la distribución de estas especies. Además, el conjunto de datos proporciona índices climáticos estandarizados, incluyendo el Índice Estandarizado de Precipitación y Evapotranspiración (SPEI) y los Índices Estandarizados de Temperatura para primavera (STIspr), verano (STIsum) y otoño (STIaut)., Financiado por el Ministerio para la Transición Ecológica y el Reto Demográfico (MITECO) y la Comisión Europea NextGeneration-EU (Reglamento UE 2020/2094), a través de la Plataforma Temática Interdisciplinar Clima del CSIC (PTI-Clima) y el proyecto de la red Silvadapt.net (proyectos RED2018-102719-T y RED2022-134910-T, financiados por MCIN/AEI/10.13039/501100011033)., No

Proyecto: //
DOI: http://hdl.handle.net/10261/383400, https://doi.org/10.20350/digitalCSIC/17165
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383400
HANDLE: http://hdl.handle.net/10261/383400, https://doi.org/10.20350/digitalCSIC/17165
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383400
PMID: http://hdl.handle.net/10261/383400, https://doi.org/10.20350/digitalCSIC/17165
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383400
Ver en: http://hdl.handle.net/10261/383400, https://doi.org/10.20350/digitalCSIC/17165
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383400

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383418
Dataset. 2024

DATASET ON SUB-DAILY VERTICAL PROFILES OF PHYSICOCHEMICAL PARAMETERS AND CHLOROPHYLL CONCENTRATION IN EL VAL RESERVOIR, TOGETHER WITH ITS DAILY METEOROLOGICAL DATA, STORAGE STATE AND DOWNSTREAM FLOW (2018–2022)

  • Castrillo, María
  • García Díaz, Daniel
  • Aguilar, Fernando
The dataset addressed in this article contains parameters about El Val reservoir (province of Zaragoza, Spain). It includes physicochemical variables, the water level, the stored water volume, its meteorological conditions and the flow rate of its effluent, the Queiles River, a few metres downstream of the dam. The El Val reservoir stores water from the Val River, but it also receives water from the Queiles River through a pipeline and from several ravines. The dam releases on the Queiles River, which is a tributary of the Ebro River (the second one in Spain in length and discharge rate). A multiparametric probe (aquaDam, Adasa Systems), hanging from a structure located in the dam, every 6 h makes a vertical profile taking the measurements at each metre of depth from the surface to approximately 573 m above sea level (m.a.s.l.), in other words, between 2 and 3 m above the bottom outlet. This probe collects data of water temperature, pH, ORP, conductivity, dissolved oxygen, turbidity and chlorophyll concentration. Meteorological data are collected in the nearest weather station, located in the municipality of Los Fayos which is about 500 m downstream of the dam. These include daily accumulated precipitation, daily maximum and average solar irradiance, daily maximum, minimum and average air temperature and daily average wind speed. The water level and volume of stored water and the flow rate of the Queiles River are collected in the El Val monitoring station and the Queiles River gauge station respectively, and are also provided on a daily basis., These data are useful to feed deterministic, data driven or hybrid hydrological models with different purposes, like the identification of the impact of meteorological conditions on the physicochemical properties of the reservoir as well as the assessment of different management strategies in the reservoir., This is a data article that additionally supports the work published in Ecological Informatics [1] where the use of common and readily available open data is promoted through its use to feed data driven models, in particular to infer the depth of the thermocline in reservoirs that are periodically or permanently thermally stratified. In that article a dataset derived from the one presented in this article is used., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/383418
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383418
HANDLE: http://hdl.handle.net/10261/383418
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383418
PMID: http://hdl.handle.net/10261/383418
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383418
Ver en: http://hdl.handle.net/10261/383418
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383418

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383463
Dataset. 2024

SUPPORTING INFORMATION CHOLESTEROL CONJUGATED ELASTIN-LIKE RECOMBINAMERS: MOLECULAR DYNAMICS SIMULATIONS, CONFORMATIONAL CHANGES, AND BIOACTIVITY

  • Costa, Rui R.
  • Domínguez-Arca, Vicente
  • Velasco, Brenda
  • Reis, Rui L.
  • Rodríguez-Cabello, José Carlos
  • Pashkuleva, Iva
  • Taboada, Pablo
  • Prieto, Gerardo
8 files.-- Pdf file: Inputs used for the AlphaFold modeling (Table S1); intramolecular hydrogen bonds formed in ELRVKV and ELRCTA between G–G, V–V, and G–V (Figure S1); cell viability of HeLa cells and RAW macrophages after incubation with ELRVKV (Figure S2); morphology of HeLa and RAW cells cultured for 48 h (Figure S3); DH measurements for DPPC-ELRCTA hybrid liposomes at 25 and 37 °C (Figure S4).-- Movie 1: Animation shows a snapshot of the ELRVKV with the structure predicted by AlphaFold. The lysines, all oriented in one direction according to the prediction, have been highlighted in blue licorice representation.-- Movie 2: Animation shows a rotation of the ELRCTA, where the CTA groups with cholesterol are observed in Corey–Pauling–Koltun (CPK) representation. The snapshot belongs to the initial time of the simulation running process.-- Movie 3: Animation shows a rotation of the ELRCTA, where the CTA groups are observed in Corey–Pauling–Koltun (CPK) representation. The snapshot belongs to the final time of the simulation running process, clearly depicting the platelet-like positioning of the CTA groups.-- Movie 4: Animation of the molecular dynamics of a multipentapeptide segment of ELRVKV. The permanent position of the lysines (highlighted in blue licorice representation) and the spring-like formation of the protein chain can be seen. The representation of the protein chain is enabled to observe the secondary structure, highlighting the β conformation with a yellow arrow. As can be seen, in the time that this example has lasted, this conformation remains unchanged.-- Movie 5a: Animations show segments of the ELRCTA in which a cholesterol group is present. (a) Different segments of the protein, in different time periods of the running stage of the simulation. The presence of β structures induced by the presence of CTA is clearly observed through the emergence and constancy of yellow arrows (β conformation.-- Movie 5b: Animations show segments of the ELRCTA in which a cholesterol group is present. (b) Different segments of the protein, in different time periods of the running stage of the simulation. The presence of β structures induced by the presence of CTA is clearly observed through the emergence and constancy of yellow arrows (β conformation).-- Zip: Structures of 10 AlphaFold predictions for the ELRVKV protein and visualizing a representation in licorice of lysines (LYS) and ribbons for full protein, Current models for elastin-like recombinamer (ELR) design struggle to predict the effects of nonprotein fused materials on polypeptide conformation and temperature-responsive properties. To address this shortage, we investigated the novel functionalization of ELRs with cholesterol (CTA). We employed GROMACS computational molecular dynamic simulations complemented with experimental evidence to validate the in silico predictions. The ELRCTA was biosynthesized and characterized by using fluorescence assays, circular dichroism, dynamic light scattering, and differential scanning calorimetry. The in silico and in vitro data showed that CTA promotes the formation of intramolecular hydrogen bonds that favor β-sheet secondary structures. Compared with an unmodified ELRVKV, CTA enhanced the hydrophobicity and stability of the system, allowing the formation of monodisperse nanoaggregates at physiologically relevant temperatures. Importantly, calorimetry assays revealed that ELRCTA interacted and intercalated with the lipid bilayers of the DPPC liposomes. To demonstrate the implications of these changes for biomedical applications, ELRCTA and DPPC-ELRCTA hybrid nanoparticles were tested with cancer and immune cell lines. Interactions with the cell membranes demonstrated a synergistic effect of the composition and size of the modified recombinamer aggregates on the internalization. The results indicated the potential use of ELR-based nanoparticles for localized and systemic drug delivery. This work sets a new precedent to design elastin-inspired biomaterials with predictable self-assembly properties and develop novel drug delivery strategies, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/383463
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383463
HANDLE: http://hdl.handle.net/10261/383463
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383463
PMID: http://hdl.handle.net/10261/383463
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383463
Ver en: http://hdl.handle.net/10261/383463
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/383463

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