Benoît Charrier
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View article: Hyperpolarized <sup>13</sup>C NMR Metabolomics of Urine Samples at Natural Abundance Applied to Chronic Kidney Disease
Hyperpolarized <sup>13</sup>C NMR Metabolomics of Urine Samples at Natural Abundance Applied to Chronic Kidney Disease Open
NMR is a central tool in the field of metabolomics, thanks to its ability to provide valuable structural and quantitative information with high precision. Most NMR-based metabolomics studies rely on 1D 1H detection, which is heavily limite…
View article: Hybrid data driven/thermal simulation model for comfort assessment
Hybrid data driven/thermal simulation model for comfort assessment Open
Machine learning models improve the speed and quality of physical models. However, they require a large amount of data, which is often difficult and costly to acquire. Predicting thermal comfort, for example, requires a controlled environm…
View article: Hyperpolarized <sup>1</sup>H and <sup>13</sup>C NMR Spectroscopy in a Single Experiment for Metabolomics
Hyperpolarized <sup>1</sup>H and <sup>13</sup>C NMR Spectroscopy in a Single Experiment for Metabolomics Open
The application of NMR spectroscopy to complex mixture analysis and, in particular, to metabolomics is limited by the low sensitivity of NMR. We recently showed that dissolution dynamic nuclear polarization (d-DNP) could enhance the sensit…
View article: A hybrid simulation/real data based learning approach for building thermal comfort modeling
A hybrid simulation/real data based learning approach for building thermal comfort modeling Open
The recent advances in machine learning can improve the prediction of thermal comfort by creating more subjective models of thermal comfort. However, it requires a large amount of high-quality data, and this data is expensive to obtain bec…
View article: Indoor Air Quality (IAQ) in the Modelica IBPSA Library (part I): Validation of the considered hypotheses regarding polluted air in residential and tertiary buildings
Indoor Air Quality (IAQ) in the Modelica IBPSA Library (part I): Validation of the considered hypotheses regarding polluted air in residential and tertiary buildings Open
The IBPSA Modelica library has proved to be one of the most efficient in terms of computational time for multi-zone thermo-hygro-aeraulic configurations. This library has additional functionalities which suggest the possibility of integrat…
View article: Indoor Air Quality (IAQ) in the IBPSA Modelica Library (part II): Methodology of integration of new IAQ simulation models
Indoor Air Quality (IAQ) in the IBPSA Modelica Library (part II): Methodology of integration of new IAQ simulation models Open
The paper focuses on the simulation of indoor air quality (IAQ) for residential and tertiary buildings with the IBPSA modelica library. Developed methodologies for physical modeling of IAQ in the IBPSA library are first presented. Then, a …
View article: Hybrid data driven/thermal simulation model for comfort assessment
Hybrid data driven/thermal simulation model for comfort assessment Open
Machine learning models improve the speed and quality of physical models. However, they require a large amount of data, which is often difficult and costly to acquire. Predicting thermal comfort, for example, requires a controlled environm…
View article: Hyperpolarized <sup>13</sup>C NMR Spectroscopy of Urine Samples at Natural Abundance by Quantitative Dissolution Dynamic Nuclear Polarization
Hyperpolarized <sup>13</sup>C NMR Spectroscopy of Urine Samples at Natural Abundance by Quantitative Dissolution Dynamic Nuclear Polarization Open
Hyperpolarized nuclear magnetic resonance (NMR) offers an ensemble of methods that remarkably address the sensitivity issues of conventional NMR. Dissolution Dynamic Nuclear Polarization (d‐DNP) provides a unique and general way to detect …
View article: Optimization of heteronuclear ultrafast 2D NMR for the study of complex mixtures hyperpolarized by dynamic nuclear polarization
Optimization of heteronuclear ultrafast 2D NMR for the study of complex mixtures hyperpolarized by dynamic nuclear polarization Open
Ultrafast 2D NMR spectroscopy combined with dissolution dynamic nuclear polarization provides rich, sensitive and repeatable NMR fingerprints of complex mixtures.
View article: Fine optimization of a dissolution dynamic nuclear polarization experimental setting for <sup>13</sup> C NMR of metabolic samples
Fine optimization of a dissolution dynamic nuclear polarization experimental setting for <sup>13</sup> C NMR of metabolic samples Open
NMR-based analysis of metabolite mixtures provides crucial information on biological systems but mostly relies on 1D 1H experiments for maximizing sensitivity. However, strong peak overlap of 1H spectra often is a limitation for the analys…
View article: Fine optimization of a dissolution-DNP experimental setting for <sup>13</sup> C NMR of metabolic samples
Fine optimization of a dissolution-DNP experimental setting for <sup>13</sup> C NMR of metabolic samples Open
NMR based analysis of metabolite mixture provides crucial information on biological systems but mostly rely on 1D 1H experiments for maximizing sensitivity. However, strong peak overlap of 1H spectra often is a limitation for the analysis …
View article: Fine optimization of a dissolution-DNP experimental setting for 13C NMR of metabolic samples
Fine optimization of a dissolution-DNP experimental setting for 13C NMR of metabolic samples Open
Topspin data file for the publication in Magnetic Resonance
View article: Multi-Agent based simulation of human activity for building and urban scale assessment of residential load curves and energy use
Multi-Agent based simulation of human activity for building and urban scale assessment of residential load curves and energy use Open
International audience
View article: Hyperpolarized NMR Metabolomics at Natural <sup>13</sup>C Abundance
Hyperpolarized NMR Metabolomics at Natural <sup>13</sup>C Abundance Open
Metabolomics\nplays a pivotal role in systems biology, and NMR is\na central tool with high precision and exceptional resolution of chemical\ninformation. Most NMR metabolomic studies are based on 1H 1D spectroscopy, severely limited by pe…
View article: Hyperpolarized NMR Metabolomics at Natural <sup>13</sup>C Abundance
Hyperpolarized NMR Metabolomics at Natural <sup>13</sup>C Abundance Open
Metabolomics plays a pivotal role in systems biology, and NMR is a central tool with high precision and exceptional resolution of chemical information. Most NMR metabolomic studies are based on 1H 1D spectroscopy, severely limited by peak …
View article: Building Energy Modeling at District Scale Through BIM Based Automatic Model Generation – Towards Building Envelope Optimization
Building Energy Modeling at District Scale Through BIM Based Automatic Model Generation – Towards Building Envelope Optimization Open
When a new construction is added in a dense area, the existing district may have a significant influence on the new building energy performance, and vice-versa. These interactions are almost never taken into account in the modeling tools u…
View article: An Autonomous Self-Optimizing Flow Reactor for the Synthesis of Natural Product Carpanone
An Autonomous Self-Optimizing Flow Reactor for the Synthesis of Natural Product Carpanone Open
A modular autonomous flow reactor combining monitoring technologies with a feedback algorithm is presented for the synthesis of the natural product carpanone. The autonomous self-optimizing system, controlled via MATLAB, was designed as a …
View article: Real-time reaction monitoring by ultrafast 2D NMR on a benchtop spectrometer
Real-time reaction monitoring by ultrafast 2D NMR on a benchtop spectrometer Open
Ultrafast 2D NMR spectra are recorded on a compact spectrometer to follow in real time a reaction in the synthetic chemistry laboratory. Complex reactions can be monitored in non-deuterated solvents to confirm in real time the molecular st…