Design of new highly functional polymer grafted polyhipes for proteins immobilization

PolyHIPE have proven to be useful in a large variety of applications included column filtration/separation, supported organic chemistry, as media for tissue engineering and 3D cell culture.1 The ability to conveniently modify pHIPE surfaces with functional groups is essential to opening new applications areas. The most promising method to conveniently modify pHIPE surface with a high density of functional groups is the “grafting from” approach. Stable polymer brushes covalently attached to the surface posses excellent mechanical and chemical robustness and offer the flexibility to introduce a large variety of functional monomers.2 We developed a new and unique pHIPE platform by incorporation of a polymerizable monomer with amino group into the HIPE available for different post in situ polymerization. The pHIPE with amino groups on the surface (pHIPE-NH2) can be directly used for the ring opening polymerization of amino acids N-carboxyanhydrates (NCAs) monomers to make pHIPE-g-polypeptide (such as pHIPE-g-poly(L-Benzyl Glutamate)) or easily converted to an atom transfer radical polymerization (ATRP) initiator for activators generated electron transfer (AGET) ATRP of tert-Butyl acrylate monomers. The polymers grafted can be deprotected to form pHIPE-g-poly(glutamic acid) or pHIPE-g-poly(acrylic acid) with reactive groups, on the surface of the pHIPE, available for further bioconjugation

Ensemble Integrations of Telemac-Mascaret for the optimal model calibration

Water Qualit

Interoperability and computational framework for simulating open channel hydraulics: application to sensitivity analysis and calibration of Gironde Estuary model

Water resource management is of crucial societal and economic importance, requiring a strong capacity for anticipating environmental change. Progress in physical process knowledge, numerical methods and computational power, allows us to address hydro-environmental problems of growing complexity. Modeling of river and marine flows is no exception. With the increase in IT resources, environmental modeling is evolving to meet the challenges of complex real-world problems. This paper presents a new distributed Application Programming Interface (API) of the open source TELEMAC-MASCARET system to run hydro-environmental simulations with the help of the interoperability concept. Use of the API encourages and facilitates the combination of worldwide reference environmental libraries with the hydro-informatic system. Consequently, the objective of the paper is to promote the interoperability concept for studies dealing with such issues as uncertainty propagation, global sensitivity analysis, optimization, multi-physics or multi-dimensional coupling. To illustrate the capability of the API, an operational problem for improving the navigation capacity of the Gironde Estuary is presented. The API potential is demonstrated in a re-calibration context. The API is used for a multivariate sensitivity analysis to quickly reveal the most influential parameters which can then be optimally calibrated with the help of a data assimilation technique

A Metamodel of the Telemac Errors

Hydrodynamic

A Metamodel of the Telemac Errors

International audienceA Telemac study is a computationally intensive application for the real cases and in the context of quantifying or optimizing uncertainties, the running times can be too long. This paper is an example of an approximation of the Telemac results by a more abstract but significantly faster model. It shows how a metamodel can be easily built with low computational costs, and how it can help to understand and improve some global results of Telemac. I. INTRODUCTION Many sources of uncertainty lie in the real-world problems. Telemac as any model (i.e. approximation of reality) is error prone since uncertainties appear in the initial or boundary conditions, the system parameters, the modelling simplification or the numerical calculations themselves. Therefore, it is difficult to say with confidence if the design of a Telemac model has met all the requirements to be optimal. Calibration consists of tuning the model parameters so that the results are in better agreement with a set of observations. This phase is crucial before any further study can be conducted by avoiding a meaningless analysis or prediction based on false or too inaccurate results. This paper presents a statistical calibration of a Telemac 2D model (Gironde Estuary in France) with the learning of Telemac errors by a metamodel (i.e. a model of the simulation errors) to make the best use of limited observations data over a short time period. The metamodel here is a simplified version of Telemac behaving the same for all the locations where observation points are available. If the metamodel is correct, it will be able to compute as Telemac would do but with a highly reduced computational cost

Protein immobilization on highly functional polymer grafted polyHIPEs

PolyHIPE have proven to be useful in a large variety of applications included column filtration/separation, supported organic chemistry, as media for tissue engineering and 3D cell culture.[1] We developed a new pHIPE platform by incorporation of a polymerizable monomer with amino group into the HIPE available for different post polymerizations.[2] The pHIPE with amino groups on the surface (pHIPE-NH2) can be directly used for the ring opening polymerization of amino acids N-carboxyanhydrates (NCAs) to obtain pHIPE-g- polypeptides or easily converted to an atom transfer radical polymerization (ATRP) initiator for activators generated electron transfer (AGET) ATRP of tert-butyl acrylate. The polymers grafted were deprotected to form or pHIPE-g-poly(acrylic acid) with reactive groups on the surface of the pHIPE, available for bioconjugation of fluorescent proteins such as enhanced green fluorescent protein (eGFP

SYNTHESIS OF STAR POLY(4-VINYLPYRIDINE) ARCHITECTURE BY NITROXIDE MEDIATED POLYMERISATION

This study proposed multifunctional alkoxyamine 2-({tert-butyl [[1- (diethoxyphosphoryl)-2,2-dimethylpropyl]amino}oxy)-2-methylpropanoic acid (MAMA-SG1) initiators for the ‘grafting-from’ method to obtain star architecture of poly 4-vinylpyridine (P4VP) from JEFFAMINE®. The structure of macroinitiator was confirmed by amide bond present in NMR and FTIR spectroscopy. Furthermore, the macroinitiator was used to polymerise 4VP. P4VP from JEFFAMINE-SG1 shows a monomodal peak in the SEC chromatogram, indicating more control polymerisation process

Finding Good Solutions to Telemac Optimization Problems with a Metaheuristic

Water Qualit

Polypeptide-grafted macroporous polyHIPE by surface-initiated N-Carboxyanhydride (NCA) polymerization as a platform for bioconjugation

A new class of functional macroporous monoliths from polymerized high internal phase emulsion (polyHIPE) with tunable surface functional groups was developed by direct polypeptide surface grafting. In the first step, amino-functional polyHIPEs were obtained by the addition of 4-vinylbenzyl or 4-vinylbenzylphthalimide to the styrenic emulsion and thermal radical polymerization. The obtained monoliths present the expected open-cell morphology and a high surface area. The incorporated amino group was successfully utilized to initiate the ring-opening polymer- ization of benzyl-L-glutamate N-carboxyanhydride (BLG NCA) and benzyloxycarbonyl-L-lysine (Lys(Z)) NCA, which resulted in a dense homogeneous coating of polypeptides throughout the internal polyHIPE surfaces as confirmed by SEM and FTIR analysis. The amount of polypeptide grafted to the polyHIPE surfaces could be modulated by varying the initial ratio of amino acid NCA to amino-functional polyHIPE. Subsequent removal of the polypeptide protecting groups yielded highly functional polyHIPE-g-poly(glutamic acid) and polyHIPE-g- poly(lysine). Both types of polypeptide-grafted monoliths responded to pH by changes in their hydrohilicity. The possibility to use the high density of function (−COOH or −NH2) for secondary reaction was demonstrated by the successful bioconjugation of enhanced green fluorescent protein (eGFP) and fluorescein isocyanate (FITC) on the polymer 3D-scaffold surface. The amount of eGFP and FITC conjugated to the polypeptide-grafted polyHIPE was significantly higher than to the amino- functional polyHIPE, signifying the advantage of polypeptide grafting to achieve highly functional polyHIPEs