Publications related to 4-Nitrophenyltriflate and 4-Nitrophenylnonaflate as New Perfluoroalkanesulfonyl Transfer Agents: Experimental and Computational Studies

Live-cell imaging powered by computation

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Berlin2024

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Fabio Nobile, Tommaso Vanzan

We present a combination technique based on mixed differences of both spatial approximations and quadrature formulae for the stochastic variables to solve efficiently a class of optimal control problems (OCPs) constrained by random partial differential equ ...

2024

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Lijing Xin, Daniel Wenz, Mark Stephan Widmaier, Songi Lim

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

WILEY2023

Facile One-Pot Assembly of Push-Pull Imines by a Selective C-F Substitution Process in Aryl Fluorides

Shubhajit Das

Herein, we report the synthesis of a series of push-pull imines by considering cyclic diamino substituent at the C-centre and fluoroaryl substituent at the N-centre. This has been achieved by a selective aromatic nucleophilic substitution of different fluo ...

WILEY-V C H VERLAG GMBH2020

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience

Auke Ijspeert, Silvestro Micera, Shravan Tata Ramalingasetty, Marc-Oliver Gewaltig, Emanuele Formento, Maria Pasquini, Egidio Falotico, Lorenzo Vannucci, Axel von Arnim, Emmanouil Angelidis, Alain Destexhe

Being able to replicate real experiments with computational simulations is a unique opportunity to refine and validate models with experimental data and redesign the experiments based on simulations. However, since it is technically demanding to model all ...

FRONTIERS MEDIA SA2020

Unfolding the prospects of computational (bio)materials modeling

Ignacio Pagonabarraga Mora

In this perspective communication, we briefly sketch the current state of computational (bio)material research and discuss possible solutions for the four challenges that have been increasingly identified within this community: (i) the desire to develop a ...

AMER INST PHYSICS2020

Synthesis, biology, computational studies and in vitro controlled release of new isoniazid-based adamantane derivatives

Stewart Cole, Anthony Vocat

Aim: There is a necessity for new drugs to be more efficient than today's standard due to the emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) Results/methodology: 12 new isoniazid-based adamantane derivatives were synthesized and te ...

FUTURE SCI LTD2019

Advances in computational and statistical diffusion MRI

Alessandro Daducci

Computational methods are crucial for the analysis of diffusion magnetic resonance imaging (MRI) of the brain. Computational diffusion MRI can provide rich information at many size scales, including local microstructure measures such as diffusion anisotrop ...

2019

MATHICSE Technical Report : Ensemble Kalman filter for multiscale inverse problems

Assyr Abdulle, Giacomo Garegnani, Andrea Zanoni

We present a novel algorithm based on the ensemble Kalman filter to solve inverse problems involving multiscale elliptic partial differential equations. Our method is based on numerical homogenization and finite element discretization and allows to recover ...

MATHICSE2019

Computational studies of the structural and optical properties of organic-inorganic lead halide perovskites.

Ariadni Boziki

The rapid rise of organic-inorganic lead halide perovskites has amazed the photovoltaic community. As the efficiency race continues for this revolutionary class of light-harvesting materials, many questions on the structural, electronic and optical propert ...

EPFL2019

4-Nitrophenyltriflate and 4-Nitrophenylnonaflate as New Perfluoroalkanesulfonyl Transfer Agents: Experimental and Computational Studies

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Live-cell imaging powered by computation

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Facile One-Pot Assembly of Push-Pull Imines by a Selective C-F Substitution Process in Aryl Fluorides

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience

Unfolding the prospects of computational (bio)materials modeling

Synthesis, biology, computational studies and in vitro controlled release of new isoniazid-based adamantane derivatives

Advances in computational and statistical diffusion MRI

MATHICSE Technical Report : Ensemble Kalman filter for multiscale inverse problems

Computational studies of the structural and optical properties of organic-inorganic lead halide perovskites.

Live-cell imaging powered by computation

Unfolding the prospects of computational (bio)materials modeling

Facile One-Pot Assembly of Push-Pull Imines by a Selective C-F Substitution Process in Aryl Fluorides

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Synthesis, biology, computational studies and in vitro controlled release of new isoniazid-based adamantane derivatives

Advances in computational and statistical diffusion MRI

Computational studies of the structural and optical properties of organic-inorganic lead halide perovskites.

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

MATHICSE Technical Report : Ensemble Kalman filter for multiscale inverse problems

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience