329 results match your criteria: "Institute for Biocomputation and Physics of Complex Systems[Affiliation]"
Genome Res
January 2025
Centro de Astrobiología (CAB), CSIC-INTA, Institute for Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza
Prokaryotes have evolved a wide repertoire of defense systems to prevent invasion by mobile genetic elements (MGE). However, because MGE are vehicles for the exchange of beneficial accessory genes, defense systems could consequently impede rapid adaptation in microbial populations. Here, we study how defense systems impact horizontal gene transfer (HGT) in the short and long terms.
View Article and Find Full Text PDFCancers (Basel)
November 2024
Instituto de Investigación Sanitaria Aragón (IIS Aragón), 50009 Zaragoza, Spain.
Pancreatic cystic lesions (PCLs) are a heterogeneous group of lesions with increasing incidence, usually identified incidentally on imaging studies (multidetector computed tomography (MDCT), magnetic resonance imaging (MRI), or endoscopic ultrasound (EUS)) [...
View Article and Find Full Text PDFNanoscale Adv
December 2024
Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC-Universidad de Zaragoza Zaragoza Spain
A collection of magnetic nanoparticles with average particle sizes in the range between 9 and 78 nm were prepared using several synthetic approaches that also provided different particle morphologies (spherical, octahedral and flowers). Some of these particles were also subsequently coated with different molecules in order to generate a set of materials that allowed us to evaluate the impact that the particle size, shape and coating had on the heating capacity of the nanoparticles when exposed to near infrared (NIR) laser light. Moreover, one of the prepared materials (octahedral particles of ∼32 nm coated with dextran) was used to perform an assay to study the possible use of this material in the frame of photothermal treatments to trigger cell death.
View Article and Find Full Text PDFiScience
November 2024
CENTAI Institute, Turin, Italy.
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View Article and Find Full Text PDFPhys Life Rev
December 2024
Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza, Zaragoza, 50018, Spain; Department of Theoretical Physics, University of Zaragoza, Zaragoza, 50009, Spain; Centai Institute, Turin, Italy. Electronic address:
The advent of Large Language Models (LLMs) offers to transform research across natural and social sciences, offering new paradigms for understanding complex systems. In particular, Generative Agent-Based Models (GABMs), which integrate LLMs to simulate human behavior, have attracted increasing public attention due to their potential to model complex interactions in a wide range of artificial environments. This paper briefly reviews the disruptive role LLMs are playing in fields such as network science, evolutionary game theory, social dynamics, and epidemic modeling.
View Article and Find Full Text PDFRSC Med Chem
September 2024
Instituto de Catálisis y Petroleoquímica (ICP), CSIC C/Marie Curie 2 28049 Madrid Spain
Antiviral compounds are crucial to controlling the SARS-CoV-2 pandemic. Approved drugs have been tested for their efficacy against COVID-19, and new pharmaceuticals are being developed as a complementary tool to vaccines. In this work, a cheap and fast purification method for natural tyrosinase from (AbTyr) fresh mushrooms was developed to evaluate the potential of this enzyme as a therapeutic protein the inhibition of SARS-CoV-2 3CLpro protease activity .
View Article and Find Full Text PDFInt J Mol Sci
September 2024
Group of Translational Research in Digestive Disease, Institute for Health Research Aragón (IIS Aragón), San Juan Bosco 13, 50009 Zaragoza, Spain.
infection constitutes a silent pandemic of global concern. In the last decades, the alarming increase in multidrug resistance evolved by this pathogen has led to a marked drop in the eradication rates of traditional therapies worldwide. By using a high-throughput screening strategy, in combination with in vitro DNA binding assays and antibacterial activity testing, we identified a battery of novel drug-like HsrA inhibitors with MIC values ranging from 0.
View Article and Find Full Text PDFJACS Au
September 2024
Department of Chemistry and Instituto de Investigación en Química de la Universidad de La Rioja, Universidad de La Rioja, Logroño 26006, Spain.
Nat Commun
September 2024
Institute for Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, Zaragoza, Spain.
Although aminergic GPCRs are the target for ~25% of approved drugs, developing subtype selective drugs is a major challenge due to the high sequence conservation at their orthosteric binding site. Bitopic ligands are covalently joined orthosteric and allosteric pharmacophores with the potential to boost receptor selectivity and improve current medications by reducing off-target side effects. However, the lack of structural information on their binding mode impedes rational design.
View Article and Find Full Text PDFComput Struct Biotechnol J
December 2024
Department of Theoretical Physics, Faculty of Science, University of Zaragoza, c/ Pedro Cerbuna s/n, Zaragoza, 50009, Spain.
The concept of "codon optimisation" involves adjusting the coding sequence of a target protein to account for the inherent codon preferences of a host species and maximise protein expression in that species. However, there is still a lack of consensus on the most effective approach to achieve optimal results. Existing methods typically depend on heuristic combinations of different variables, leaving the user with the final choice of the sequence hit.
View Article and Find Full Text PDFImmunity
September 2024
Committee on Immunology, University of Chicago, Chicago, IL, USA; Section of Genetic Medicine, Department of Medicine, University of Chicago, Chicago, IL, USA; Department of Human Genetics, University of Chicago, Chicago, IL, USA; Committee on Genetics, Genomics, and Systems Biology, University of Chicago, Chicago, IL, USA. Electronic address:
Although the Bacille-Calmette-Guérin (BCG) vaccine is used to prevent tuberculosis, it also offers protection against a diverse range of non-mycobacterial infections. However, the underlying protective mechanisms in humans are not yet fully understood. Here, we surveyed at single-cell resolution the gene expression and chromatin landscape of human bone marrow, aspirated before and 90 days after BCG vaccination or placebo.
View Article and Find Full Text PDFISME J
January 2024
Centro de Astrobiología (CAB), CSIC-INTA, Ctra. de Torrejón a Ajalvir Km 4, 28850, Torrejón de Ardoz, Madrid, Spain.
Phys Rev E
May 2024
Institute for Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, 50018 Zaragoza, Spain.
Random walks have been intensively studied on regular and complex networks, which are used to represent pairwise interactions. Nonetheless, recent works have demonstrated that many real-world processes are better captured by higher-order relationships, which are naturally represented by hypergraphs. Here we study random walks on hypergraphs.
View Article and Find Full Text PDFTrends Endocrinol Metab
October 2024
Departamento de Bioquímica, Biología Molecular y Celular, Universidad de Zaragoza, Zaragoza 50009 and 50013, Spain; Instituto de Investigación Sanitaria (IIS) de Aragón, Zaragoza 50009, Spain; Centro de Investigaciones Biomédicas en Red de Enfermedades Raras (CIBERER), Instituto de Salud Carlos III (ISCIII), Madrid 28029, Spain. Electronic address:
Mitochondrial genetic defects caused by whole-body mutations typically affect different tissues in different ways. Elucidating the molecular determinants that cause certain cell types to be primarily affected has become a critical research target within the field. We propose a differential activation of the integrated stress response as a potential contributor to this tissue specificity.
View Article and Find Full Text PDFFEBS J
August 2024
Department of Biochemistry & Molecular and Cellular Biology, University of Zaragoza, Spain.
Clostridioides (formerly Clostridium) difficile is a leading cause of infectious diarrhea associated with antibiotic therapy. The ability of this anaerobic pathogen to acquire enough iron to proliferate under iron limitation conditions imposed by the host largely determines its pathogenicity. However, since high intracellular iron catalyzes formation of deleterious reactive hydroxyl radicals, iron uptake is tightly regulated at the transcriptional level by the ferric uptake regulator Fur.
View Article and Find Full Text PDFJ Vis Exp
May 2024
Department of Biochemistry, University of Zaragoza; Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza.
Over the last decades, the evidence accumulated about the existence of respiratory supercomplexes (SCs) has changed our understanding of the mitochondrial electron transport chain organization, giving rise to the proposal of the "plasticity model." This model postulates the coexistence of different proportions of SCs and complexes depending on the tissue or the cellular metabolic status. The dynamic nature of the assembly in SCs would allow cells to optimize the use of available fuels and the efficiency of electron transfer, minimizing reactive oxygen species generation and favoring the ability of cells to adapt to environmental changes.
View Article and Find Full Text PDFPLoS Comput Biol
April 2024
Centro de Astrobiología (CAB) CSIC-INTA, Torrejón de Ardoz, Madrid, Spain.
Epistasis among driver mutations is pervasive and explains relevant features of cancer, such as differential therapy response and convergence towards well-characterized molecular subtypes. Furthermore, a growing body of evidence suggests that tumor development could be hampered by the accumulation of slightly deleterious passenger mutations. In this work, we combined empirical epistasis networks, computer simulations, and mathematical models to explore how synergistic interactions among driver mutations affect cancer progression under the burden of slightly deleterious passengers.
View Article and Find Full Text PDFBiochem Pharmacol
October 2024
Research Service, Veterans Affairs Portland Health Care System, and Department of Behavioral Neuroscience, Oregon Health & Science University, Portland, OR 97239, USA. Electronic address:
Two recently discovered DRD2 mutations, c.634A > T, p.Ile212Phe and c.
View Article and Find Full Text PDFInt J Mol Sci
March 2024
Department of Biochemistry and Molecular and Cellular Biology, Faculty of Sciences, University of Zaragoza, 50009 Zaragoza, Spain.
Enzymes reliant on pyridoxal 5'-phosphate (PLP), the metabolically active form of vitamin B, hold significant importance in both biology and medicine. They facilitate various biochemical reactions, particularly in amino acid and neurotransmitter metabolisms. Vitamin B is absorbed by organisms in its non-phosphorylated form and phosphorylated within cells via pyridoxal kinase (PLK) and pyridox-(am)-ine 5'-phosphate oxidase (PNPOx).
View Article and Find Full Text PDFFront Public Health
March 2024
Institute for Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, Zaragoza, Spain.
Introduction: The slow descent in TB burden, the COVID-19 pandemic, along with the rise of multidrug-resistant strains of , seriously threaten TB control and the goals of the End TB strategy. To fight back, several vaccine candidates are under development, with some of them undergoing the phases 2B and 3 of the development pipeline. The impact of these vaccines on the general population needs to be addressed using disease-transmission models, and, in a country like China, which last year ranked third in number of cases worldwide, and where the population is aging at a fast pace, the impact of TB vaccination campaigns may depend heavily upon the age of targeted populations, the mechanistic descriptions of the TB vaccines and the coupling between TB dynamics and demographic evolution.
View Article and Find Full Text PDFInt J Gynaecol Obstet
August 2024
Department of Obstetrics and Gynecology, Hospital Clínico San Carlos, Madrid, Spain.
Objective: To identify new parameters predicting fetal acidemia.
Methods: A retrospective case-control study in a cohort of deliveries from a tertiary referral hospital-based cohort deliveries in Zaragoza, Spain between 2018 and 2021 was performed. To predict fetal acidemia, the NICHD categorizations and non-NICHD parameters were analyzed in the electronic fetal monitoring (EFM).
Chaos
March 2024
Department of Condensed Matter Physics, University of Zaragoza, 50009 Zaragoza, Spain.
In this work, we analyze how reputation-based interactions influence the emergence of innovations. To do so, we make use of a dynamic model that mimics the discovery process by which, at each time step, a pair of individuals meet and merge their knowledge to eventually result in a novel technology of higher value. The way in which these pairs are brought together is found to be crucial for achieving the highest technological level.
View Article and Find Full Text PDFJ Transl Med
February 2024
Department of Experimental and Clinical Medicine, University Magna Graecia of Catanzaro, Viale Europa, Campus Germaneto, 88100, Catanzaro, Italy.
Vox Sang
June 2024
Blood and Tissues Bank of Aragón (BTBA), Zaragoza, Aragón, Spain.
Background And Objectives: The variability in the number of donations together with a growing demand for platelet concentrates and plasma-derived medicines make us seek solutions aimed at optimizing the processing of blood. Some mathematical models to improve efficiencies in blood banking have been published. The goal of this work is to validate and evaluate an algorithm's impact in the production of blood components in the Blood and Tissues Bank of Aragon (BTBA).
View Article and Find Full Text PDFPhys Rev E
January 2024
Department of Applied Mathematics, College of Applied Sciences, Kyung Hee University, Yongin 17104, Republic of Korea.
The existence of neutral species carries profound ecological implications that warrant further investigation. In this paper, we study the impact of neutral species on biodiversity in a spatial tritrophic system of cyclic competition, in which the neutral species are identified as the fourth species that may affect the competition process of the other three species under the rock-paper-scissors (RPS) rule. Extensive simulations showed that neutral species can promote coexistence in a high mobility regime within the system.
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