Topology and energy transport in networks of interacting photosynthetic complexes

We address the role of topology in the energy transport process that occurs in networks of photosynthetic complexes. We take inspiration from light harvesting networks present in purple bacteria and simulate an incoherent dissipative energy transport process on more general and abstract networks, considering both regular structures (Cayley trees and hyperbranched fractals) and randomly-generated ones. We focus on the the two primary light harvesting complexes of purple bacteria, i.e., the LH1 and LH2, and we use network-theoretical centrality measures in order to select different LH1 arrangements. We show that different choices cause significant differences in the transport efficiencies, and that for regular networks centrality measures allow to identify arrangements that ensure transport efficiencies which are better than those obtained with a random disposition of the complexes. The optimal arrangements strongly depend on the dissipative nature of the dynamics and on the topological properties of the networks considered, and depending on the latter they are achieved by using global vs. local centrality measures. For randomly-generated networks a random arrangement of the complexes already provides efficient transport, and this suggests the process is strong with respect to limited amount of control in the structure design and to the disorder inherent in the construction of randomly-assembled structures. Finally, we compare the networks considered with the real biological networks and find that the latter have in general better performances, due to their higher connectivity, but the former with optimal arrangements can mimic the real networks' behaviour for a specific range of transport parameters. These results show that the use of network-theoretical concepts can be crucial for the characterization and design of efficient artificial energy transport networks.Comment: 14 pages, 16 figures, revised versio

Non-classical correlations in non-Markovian continuous variable systems

We consider two identical and non-interacting harmonic oscillators coupled to either two independent bosonic baths or to a common bosonic bath. Under the only assumption of weak coupling, we analyze in details the non-Markovian short time-scale evolution of intensity correlations, entanglement and quantum discord for initial two-mode squeezed-thermal vacuum states. In the independent reservoirs case we observe the detrimental effect of the environment for all these quantities and we establish a hierarchy for their robustness against the environmental noise. In the common reservoir case, for initial uncorrelated states, we find that only quantum discord can be created via interaction with the bath, while entanglement and sub shot noise intensity correlations remain absent.Comment: 10 pages, 5 figure

A computational model of open-irrigated electrode for endocardial RF catheter ablation

Radiofrequency catheter ablation (RFCA) is an important curative treatment for cardiac arrhythmias. However, during RFCA thrombus formation can occur when the electrode-tissue interface temperature exceeds 80°C. Open-irrigated electrodes reduce the risk of such side-effect. No computational model of an open-irrigated electrode in endocardial RFCA accounting for both the saline irrigation flow and the blood motion in the cardiac chamber has been proposed yet. Our aim was to introduce the first computer model including both effects. The model has been validated against existing experimental results. Computational results showed that the surface lesion width and blood temperature are affected by the irrigation flow rate. Smaller surface lesion widths and blood temperatures are obtained with higher irrigation flow rate, while the lesion depth is not affected by changing the irrigation flow rate. Larger lesions are obtained when electrode is placed horizontally. Overall, the computational findings are in close agreement with previous experimental results

A computational model integrating brain electrophysiology and metabolism highlights the key role of extracellular potassium and oxygen

The human brain is a small organ which uses a disproportional amount of the total metabolic energy pro- duction in the body. While it is well understood that the most significant energy sink is the maintenance of the neuronal membrane potential during the brain signaling activity, the role of astrocytes in the energy balance continues to be the topic of a lot of research. A key function of astrocytes, besides clearing glutamate from the synaptic clefts, is the potassium clearing after neuronal activation. Extracellular potassium plays a significant role in triggering neuronal firing, and elevated concentration of potassium may lead to abnormal firing pattern, e.g., seizures, thus emphasizing the importance of the glial K+ buffering role. The predictive mathematical model proposed in this paper elucidates the role of glial potassium clearing in brain energy metabolism, integrating a detailed model of the ion dynamics which regulates neuronal firing with a three compartment metabolic model. Because of the very different characteristic time scales of electrophysiology and metabolism, care must be taken when coupling the two models to ensure that the predictions, e.g., neuronal firing frequencies and the oxygen- glucose index (OGI) of the brain during activation and rest, are in agreement with empirical observations. The temporal multi-scale nature of the problem requires the design of new computational tools to ensure a stable and accurate numerical treatment of the problem. The model predictions for different protocols, including combinations of elevated activation and ischemic episodes, are in good agreement with experimental observations reported in the literature.This work was supported by the Bizkaia Talent and European Commission through CO- FUND under the grant CIPAS: Computational Inverse Problems Across Scales (AYD-000-278, 2015), by the Basque Government through the BERC 2014-2017 program, and by the Spanish Ministry of Economics and Competitive- ness MINECO through the BCAM Severo Ochoa excellence accreditation SEV-2013-0323 and the Spanish ”Plan Estatal de Investigacio ́n, Desarrollo e Innovacio ́n Orientada a los Retos de la Sociedad” under Grant BELEMET - Brain ELEctro-METabolic modeling and numerical approximation (MTM2015-69992-R). The work of Daniela Cal- vetti was partly supported by Grant Number 246665 from the Simons Foundation, and the work of Erkki Somersalo was partly supported by NSF Grant DMS 1016183. Daniela Calvetti and Erkki Somersalo were partly supported by NIH, grant 1U01GM111251-01

Computational Model for Prediction of the Occurrence of Steam Pops during Irrigated Radiofrequency Catheter Ablation

Radiofrequency catheter ablation (RFCA) is a curative treatment for cardiac arrhythmias. Although globally a pretty safe procedure, it may present some risk. Steam pop is a serious complication that can occur during RFCA with irrigated electrodes. Pops are caused by tissue overheating above 89oC, and may cause explosive rupture of myocardial wall. Today, it is still very complicated to predict the occurrence and location of steam pops into the tissue during RFCA. Our aim was to use a computational model to address these issues considering two irrigated catheter tip designs and different power settings. The model has been validated against existing experimental results. Computational results show no evidence of significant differences in the incidence of steam pops between the two catheter designs. Steam pops appears at powers higher than 30W at approximately 2 mm depth under the electrode tip. Overall, the computational findings were in close agreement with previous experimental results, which suggests that the proposed model could be useful to predict the occurrence of steam pops in different clinical situations.MINECO TEC2014–52383-C3-R to E.B. and Generalitat Valenciana APOSTD/2016/045 to A.G.S

Brain energetics plays a key role in the coordination of electrophysiology, metabolism and hemodynamics: evidence from an integrated computational model

The energetic needs of brain cells at rest and during elevated neuronal activation has been the topic of many investigations where mathematical models have played a significant role providing a context for the interpretation of experimental findings. A recently proposed mathematical model, comprising a double feedback between cellular metabolism and electrophysiology, sheds light on the interconnections between the electrophysiological details associated with changes in the frequency of neuronal firing and the corresponding metabolic activity. We propose a new extended mathematical model comprising a three-way feedback connecting metabolism, electrophysiology and hemodynamics. Upon specifying the time intervals of higher neuronal activation, the model generates a potassium based signal leading to the concomitant increase in cerebral blood flow with associated vasodilation and metabolic changes needed to sustain the increased energy demand. The predictions of the model are in good qualitative and quantitative agreement with experimental findings reported in the literature, even predicting a slow after-hyperpolarization of a duration of approximately 16 s matching experimental observations.The work of Daniela Calvetti was partly support by NSF grants DMS-1522334 and NIH grant 1U01 GM111251-01. The work of Erkki Somersalo was partly support by NSF grants DMS 1714617 and NIH grant 1U01GM111251-01

Clinical correlates of mathematical modeling of cortical spreading depression: Single‐cases study

Introduction: Considerable connections between migraine with aura and cortical spreading depression (CSD), a depolarization wave originating in the visual cortex and traveling toward the frontal lobe, lead to the hypothesis that CSD is underlying migraine aura. The highly individual and complex characteristics of the brain cor‐ tex suggest that the geometry might impact the propagation of cortical spreading depression. Methods: In a single‐case study, we simulated the CSD propagation for five migraine with aura patients, matching their symptoms during a migraine attack to the CSD wavefront propagation. This CSD wavefront was simulated on a patient‐specific tri‐ angulated cortical mesh obtained from individual MRI imaging and personalized dif‐ fusivity tensors derived locally from diffusion tensor imaging data. Results: The CSD wave propagation was simulated on both hemispheres, despite in all but one patient the symptoms were attributable to one hemisphere. The CSD wave diffused with a large wavefront toward somatosensory and prefrontal regions, devoted to pain processing. Discussion: This case‐control study suggests that the cortical geometry may con‐ tribute to the modality of CSD evolution and partly to clinical expression of aura symptoms. The simulated CSD is a large and diffuse phenomenon, possibly capa‐ ble to activate trigeminal nociceptors and to involve cortical areas devoted to pain processing

Malignant struma ovarii harboring a unique NRAS mutation: case report and review of the literature

Struma ovarii (SO), a rare tumor containing at least 50% of thyroid tissue, represents approximately 5% of all ovarian teratomas; its malignant transformation rate is reported to occur in up to 10% of cases and metastases occur in about 5-6% of them. We describe a 36-year old woman who underwent laparoscopic left annessectomy two years earlier because of an ovarian cyst. Follow-up imaging revealed a right adnexal mass, ascitis and peritoneal nodes that were diagnosed as comprising a malignant SO with peritoneal secondary localizations at histopathology performed after intervention. Restaging with F-18-FDG-PE T/CT scan, abdominal CT and ultrasonography showed abnormalities in the perihepatic region and presacral space and left hypochondrium localizations. The patient underwent thyroidectomy, hepatic nodulectomy and cytoreductive peritonectomy: histopathological examination did not show any malignant disease in the thyroid and confirmed the presence of peritoneal localizations due to malignant SO; molecular analysis detected NRAS Q61K mutation in exon 3, whereas no mutations were identified on the BRAF gene. The patient underwent radioiodine treatment: serum Tg was decreased at first follow-up after three months of I-131-therapy. We believe that our case raises some interesting considerations. First, pathologists should be aware of this entity and should check for the presence of point mutations suggesting an aggressive disease behavior, which could be beneficial for an optimal therapeutic approach. Second, although most of the knowledge in this field comes from case reports, efforts should be made to standardize the management of patients affected by malignant SO, including use of practice guidelines