Towards predictive models in food engineering: Parameter estimation dos and don'ts

1 póster.-- 29th EFFoST International Conference, 10-12 November 2015, Athens, GreeceRigorous, physics based, modeling is at the core of computer aided food process engineering. Models often require the values of some, typically unknown, parameters (thermo-physical properties, kinetic constants, etc). Therefore, parameter estimation from experimental data is critical to achieve desired model predictive properties. Unfortunately, it must be admitted that often experiment design and modeling are fully separated tasks: experiments are not designed for the purpose of modeling and models are usually derived without paying especial attention to available experimental data or experimentation capabilities. When, at some point, the parameter estimation problem is put on the table, modelers use available experimental data to ``manually'' tune the unknown parameters. This results in inaccurate parameter estimates, usually experiment dependent, with the implications this has in model validation. This work takes a new look into the parameter estimation problem in food process modeling. First the common pitfalls in parameter estimation are described. Second we present the theoretical background and the numerical techniques to define a parameter estimation protocol to iteratively improve model predictive capabilities. This protocol includes: reduced order modeling, structural and practical identifiability analyses, data fitting with global optimization methods and optimal experimental design. And, to finish, we illustrate the performance of the proposed protocol with an example related to the thermal processing of packaged foods. The model was experimentally validated in the IIM-CSIC pilot plantThe authors acknowledge financial support from the EU (Project SPECTRAFISH), Spanish Ministry of Science and Innovation (Project ISFORQUALITY) and CSIC (Project CONTROLA)Peer reviewe

On the relevance of the polar β-phase of poly(vinylidene fluoride) for high performance lithium-Ion battery separators

Separator membranes based on poly(vinylidene fluoride), PVDF, poly(vinylidene fluoride-co-trifluoroethylene), PVDF-TrFE, poly(vinylidene fluoride-co-hexafluropropylene), PVDF-HFP and poly(vinylidene fluoride-co-chlorotrifluoroethylene), PVDF-CTFE were prepared by solvent casting method using N,N-dimethylformamide (DMF) as solvent. In all cases, the same polymer/solvent ratio and solvent evaporation temperature were used. For all membranes, porous microstructure is achieved with a degree of porosity larger than 50%. The β-phase content as well as degree of crystallinity were different for each membrane, which were lower for the co-polymer membranes when compared with PVDF. On the other hand, the observed ionic conductivity values, electrolyte uptake, tortuosity and MacMullin number were similar for all membranes. The electrochemical performance of the separator membranes was evaluated in Li/C–LiFePO4 half-cell configuration showing good cyclability and rate capability for all membranes. Among the all separator membranes, PVDF-TrFE demonstrate the best electrochemical performance, with a discharge capacity value of 87 mAh.g-1 after 50 cycles with a capacity retention of 78 % at 2C.Finally, the correlation between the β-phase content in the membranes and the cycling performance was demonstrated (which was significant at high-C rates): larger β-phase contents, leading higher polarity, facilitates faster lithium ion migration within the separator for similar microstructures.This work was supported by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UID/FIS/04650/2013. The authors thank FEDER funds through the COMPETE 2020 Programme and National Funds through FCT under the projects PTDC/CTM-ENE/5387/2014 and UID/CTM/50025/2013 and grants SFRH/BD/90215/2012 (J.C.D.) and SFRH/BPD/112547/2015 (C.M.C.). The authors acknowledge funding by the Spanish Ministry of Economy and Competitiveness (MINECO) through the project MAT2016-76039-C4-3-R (AEI/FEDER, UE) (including the FEDER financial support) and from the Basque Government Industry Department under the ELKARTEK Program. Authors are grateful to the Government of the Basque Country for financial support (Grupos de Investigación, IT718-13). The authors thank Solvay, Timcal and Phostech for kindly supplying the high quality materials.info:eu-repo/semantics/publishedVersio

Morphological techniques used in ichthyopathological diagnosis

In this review, different diagnostic techniques for identifying etiology of fish disease are described. Among microscopic techniques, we find rapid diagnostic tests to observe parasites, gill diseases and bacteria; routine histopathological techniques are also used. In samples having bone tissue, decalcification methods are employed. In recent years, apart from using immunohistochemistry and electron microscopy, morphological techniques allow a deep study of disease pathogenesis. At present, molecular techniques for pathogen identification and atomic-absorption spectrophotometry to measure the concentration and distribution of toxic metals in tissues they also use. In conclusion, different techniques can contribute to the evaluation of disorders and provide tools for a better understanding in fish medicine.Facultad de Ciencias Veterinaria

Morphological techniques used in ichthyopathological diagnosis

In this review, different diagnostic techniques for identifying etiology of fish disease are described. Among microscopic techniques, we find rapid diagnostic tests to observe parasites, gill diseases and bacteria; routine histopathological techniques are also used. In samples having bone tissue, decalcification methods are employed. In recent years, apart from using immunohistochemistry and electron microscopy, morphological techniques allow a deep study of disease pathogenesis. At present, molecular techniques for pathogen identification and atomic-absorption spectrophotometry to measure the concentration and distribution of toxic metals in tissues they also use. In conclusion, different techniques can contribute to the evaluation of disorders and provide tools for a better understanding in fish medicine.Facultad de Ciencias Veterinaria

Morphological techniques used in ichthyopathological diagnosis

In this review, different diagnostic techniques for identifying etiology of fish disease are described. Among microscopic techniques, we find rapid diagnostic tests to observe parasites, gill diseases and bacteria; routine histopathological techniques are also used. In samples having bone tissue, decalcification methods are employed. In recent years, apart from using immunohistochemistry and electron microscopy, morphological techniques allow a deep study of disease pathogenesis. At present, molecular techniques for pathogen identification and atomic-absorption spectrophotometry to measure the concentration and distribution of toxic metals in tissues they also use. In conclusion, different techniques can contribute to the evaluation of disorders and provide tools for a better understanding in fish medicine.Facultad de Ciencias Veterinaria

Image processing tools for the validation of CryoEM maps

The number of maps deposited in public databases (Electron Microscopy Data Bank, EMDB) determined by cryo-electron microscopy has quickly grown in recent years. With this rapid growth, it is critical to guarantee their quality. So far, map validation has primarily focused on the agreement between maps and models. From the image processing perspective, the validation has been mostly restricted to using two halfmapsand the measurement of their internal consistency. In this article, we suggest that map validation can be taken much further from the point of view of image processing if 2D classes, particles, angles, coordinates, defoci, and micrographs are also provided. We present a progressive validation scheme that qualifies a result validation status from 0 to 5 and offers three optional qualifiers (A, W, and O) that can be added. The simplest validation state is 0, while the most complete would be 5AWO. This scheme has been implemented in a website https://biocomp.cnb.csic.es/EMValidationService/ to which reconstructed maps and their ESI can be uploaded.We are thankful to Philip Baldwin, Dmitry Lyumkis, and Gabriel Lander for making their validation methods available (4.h and A.c). Javier Vargas and Jordi Burguet would like to thank the Spanish Ministry of Science and Innovation for financial support through the call 2019 Proyectos de I+D+i – RTI Tipo A (PID2019- 108850RA-I00) and Arrate Muñoz Barrutia, PID2019-109820RB-I00, MCIN/AEI/ 10.13039/501100011033/, cofinanced by European Regional Development Fund (ERDF), “A way of making Europe.”. The authors acknowledge the economic support from MICIN of the Instruct Image Processing Center (I2PC) as part of the Spanish participation in Instruct-ERIC, the European Strategic Infrastructure Project (ESFRI) in the area of Structural Biology, Grant PID2019-104757RB-I00 funded by MCIN/AEI/10.13039/501100011033/ and “ERDF A way of making Europe”, by the European Union and Grant PRE2020 - 093527 funded by MCIN/ AEI/ 10.13039/501100011033 and by “ESF Investing in your future”. We also acknowledge support from “Comunidad Autónoma de Madrid” through Grant: S2017/BMD-3817, Instituto de Salud Carlos III (project IMPaCT-Data, exp. IMP/ 00019), co-funded by the European Union, European Regional Development Fund (ERDF, “A way to make Europe”), and European Union (EU) and Horizon 2020 through grants: EOSC Life (INFRAEOSC-04-2018, Proposal: 824087), High- ResCells (ERC – 2018 – SyG, Proposal: 810057), IMpaCT (WIDESPREAD-03-2018 – Proposal: 857203), EOSC – Synergy (EINFRA-EOSC-5, Proposal: 857647), iNEXTDiscovery (Proposal: 871037), EnLaCES (H2020-MSCA-IF-2020, Proposal: 101024130)

Dielectric relaxation dynamics of high-temperature piezoelectric polyimide copolymers

Polyimide co-polymers have been prepared based on different diamines as co-monomers: a diamine without CN groups and a novel synthesized diamine with two CN groups prepared by polycondensation reaction followed by thermal cyclodehydration. Dielectric spectroscopy measurements were performed and the dielectric complex function, ac conductivity and electric modulus of the co-polymers were investigated as a function of CN group content in the frequency range from 0.1 Hz to 107 Hz at temperatures from 25 to 260 °C. For all samples and temperatures above 150ºC, the dielectric constant increases with increasing temperature due to increaseing conductivity. The α-relaxation is just detected for the sample without CN groups, being this relaxation overlapped by the electrical conductivity contributions in the remaining samples. For the copolymer samples and the polymer with CN groups an important Maxwell-Wagner-Sillars contribution is detected. The mechanisms responsible for the dielectric relaxation, conduction process and electric modulus response have been discussed as a function of the CN groups content present in the samples.This work was supported by FEDER through the COMPETE Program and by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Project PESTC/FIS/UI607/2011 and grants SFRH/BD/ 62507/2009 (A.C.L.) SFRH/BD/68499/2010 (C.M.C.). The authors also thank funding from “Matepro – Optimizing Materials and Processes”, ref. NORTE-07-0124-FEDER-000037”, co-funded by the “Programa Operacional Regional do Norte” (ON.2 – O Novo Norte), under the “Quadro de Referência Estratégico Nacional” (QREN), through the “Fundo Europeu de Desenvolvimento Regional” (FEDER). RSS acknowledge the support of the Spanish Ministry of Economy and Competitiveness through the project MAT2012-38359-C03-01 (including the FEDER financial support). Authors also thank the Basque Country Government for financial support (ACTIMAT project, ETORTEK Program, IE13-380, and Ayudas para Grupos de Investigación del Sistema Universitario Vasco Program, IT718-13)

Image processing tools for the validation of CryoEM maps

The number of maps deposited in public databases (Electron Microscopy Data Bank, EMDB) determined by cryo-electron microscopy has quickly grown in recent years. With this rapid growth, it is critical to guarantee their quality. So far, map validation has primarily focused on the agreement between maps and models. From the image processing perspective, the validation has been mostly restricted to using two half-maps and the measurement of their internal consistency. In this article, we suggest that map validation can be taken much further from the point of view of image processing if 2D classes, particles, angles, coordinates, defoci, and micrographs are also provided. We present a progressive validation scheme that qualifies a result validation status from 0 to 5 and offers three optional qualifiers (A, W, and O) that can be added. The simplest validation state is 0, while the most complete would be 5AWO. This scheme has been implemented in a website https://biocomp.cnb.csic.es/EMValidationService/ to which reconstructed maps and their ESI can be uploaded

Multicentre, randomised, single-blind, parallel group trial to compare the effectiveness of a Holter for Parkinson's symptoms against other clinical monitoring methods: study protocol

Introduction In recent years, multiple studies have aimed to develop and validate portable technological devices capable of monitoring the motor complications of Parkinson's disease patients (Parkinson's Holter). The effectiveness of these monitoring devices for improving clinical control is not known. Methods and analysis This is a single-blind, cluster-randomised controlled clinical trial. Neurologists from Spanish health centres will be randomly assigned to one of three study arms (1:1:1): (a) therapeutic adjustment using information from a Parkinson?s Holter that will be worn by their patients for 7 days, (b) therapeutic adjustment using information from a diary of motor fluctuations that will be completed by their patients for 7 days and (c) therapeutic adjustment using clinical information collected during consultation. It is expected that 162 consecutive patients will be included over a period of 6 months. The primary outcome is the efficiency of the Parkinson?s Holter compared with traditional clinical practice in terms of Off time reduction with respect to the baseline (recorded through a diary of motor fluctuations, which will be completed by all patients). As secondary outcomes, changes in variables related to other motor complications (dyskinesia and freezing of gait), quality of life, autonomy in activities of daily living, adherence to the monitoring system and number of doctor?patient contacts will be analysed. The noninferiority of the Parkinson's Holter against the diary of motor fluctuations in terms of Off time reduction will be studied as the exploratory objective. Ethics and dissemination approval for this study has been obtained from the Hospital Universitari de Bellvitge Ethics Committee. The results of this study will inform the practical utility of the objective information provided by a Parkinson's Holter and, therefore, the convenience of adopting this technology in clinical practice and in future clinical trials. We expect public dissemination of the results in 2022.Funding This work is supported by AbbVie S.L.U, the Instituto de Salud Carlos III [DTS17/00195] and the European Fund for Regional Development, 'A way to make Europe'