Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines.In this paper,we focus on the characterization of fundamental components,present in...Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines.In this paper,we focus on the characterization of fundamental components,present in pigment-protein complexes,in terms of their spectroscopic properties such as infrared spectra,nuclear magnetic resonance,as well as nuclear quadrupole resonance,which are of critical importance for many applications.Such components include chlorophylls and bacteriochlorophylls.Based on the density functional theory method,we calculate the main spectroscopic characteristics of these components for the Fenna-Matthews-Olson light-harvesting complex,analyze them and compare them with available experimental results.Future outlook is discussed in the context of current and potential applications of the presented results.展开更多
Alzheimer’s disease(AD)is a common neurodegenerative disorder nowadays.Amyloid-beta(Aβ)and tau proteins are among the main contributors to the AD progression.In AD,Aβproteins clump together to form plaques and disr...Alzheimer’s disease(AD)is a common neurodegenerative disorder nowadays.Amyloid-beta(Aβ)and tau proteins are among the main contributors to the AD progression.In AD,Aβproteins clump together to form plaques and disrupt cell functions.On the other hand,the abnormal chemical change in the brain helps to build sticky tau tangles that block the neuron’s transport system.Astrocytes generally maintain a healthy balance in the brain by clearing the Aβplaques(toxic Aβ).However,overactivated astrocytes release chemokines and cytokines in the presence of Aβand react to pro-inflammatory cytokines,further increasing the production of Aβ.In this study,we construct a mathematical model that can capture astrocytes’dual behavior.Furthermore,we reveal that the disease progression depends on the current time instance and the disease’s earlier status,called theamemory effect,omaking non-Markovian processes an appropriate approach.We consider a fractional order network mathematical model to capture the influence of such memory effects on AD progression.We have integrated brain connectome data into the model and studied the memory effect,the dual role of astrocytes,and the brain’s neuronal damage.Based on the pathology,primary,secondary,and mixed tauopathies parameters are considered in the model.Due to the mixed tauopathy,different brain nodes or regions in the brain connectome accumulate different toxic concentrations of Aβand tau proteins.Finally,we explain how the memory effect can slow down the propagation of such toxic proteins in the brain,decreasing the rate of neuronal damage.展开更多
基金the BERC 2018-2021 program and Spanish Ministry of Science,Innovation,and Universities through the Agencia Estatal de Investigacion(AEI)BCAM Severo Ochoa excellence accreditation SEV-2017-0718,and the Basque Government fund“AI in BCAM EXP.2019/00432”.
文摘Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines.In this paper,we focus on the characterization of fundamental components,present in pigment-protein complexes,in terms of their spectroscopic properties such as infrared spectra,nuclear magnetic resonance,as well as nuclear quadrupole resonance,which are of critical importance for many applications.Such components include chlorophylls and bacteriochlorophylls.Based on the density functional theory method,we calculate the main spectroscopic characteristics of these components for the Fenna-Matthews-Olson light-harvesting complex,analyze them and compare them with available experimental results.Future outlook is discussed in the context of current and potential applications of the presented results.
基金BERC 2022-2025Natural Sciences and Engineering Research Council of Canada+4 种基金Alliance de recherche numérique du CanadaCanada Research ChairsBasque Government fund AIShared Hierarchical Academic Research Computer NetworkSpanish Ministry of Science,Innovation and Universities。
文摘Alzheimer’s disease(AD)is a common neurodegenerative disorder nowadays.Amyloid-beta(Aβ)and tau proteins are among the main contributors to the AD progression.In AD,Aβproteins clump together to form plaques and disrupt cell functions.On the other hand,the abnormal chemical change in the brain helps to build sticky tau tangles that block the neuron’s transport system.Astrocytes generally maintain a healthy balance in the brain by clearing the Aβplaques(toxic Aβ).However,overactivated astrocytes release chemokines and cytokines in the presence of Aβand react to pro-inflammatory cytokines,further increasing the production of Aβ.In this study,we construct a mathematical model that can capture astrocytes’dual behavior.Furthermore,we reveal that the disease progression depends on the current time instance and the disease’s earlier status,called theamemory effect,omaking non-Markovian processes an appropriate approach.We consider a fractional order network mathematical model to capture the influence of such memory effects on AD progression.We have integrated brain connectome data into the model and studied the memory effect,the dual role of astrocytes,and the brain’s neuronal damage.Based on the pathology,primary,secondary,and mixed tauopathies parameters are considered in the model.Due to the mixed tauopathy,different brain nodes or regions in the brain connectome accumulate different toxic concentrations of Aβand tau proteins.Finally,we explain how the memory effect can slow down the propagation of such toxic proteins in the brain,decreasing the rate of neuronal damage.
