Publications related to A Unified Strategy toward the Synthesis of Acerogenin-Type Macrocycles: Total Syntheses of Acerogenins A, B, C, and L and Aceroside IV

SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

Diffusion-based generative methods have proven effective in modeling trajectories with offline datasets. However, they often face computational challenges and can falter in generalization, especially in capturing temporal abstractions for long- horizon tas ...

2024

Live-cell imaging powered by computation

Suliana Manley, Florian Jug

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

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

Glutamine-to-glutamate ratio in the nucleus accumbens predicts effort-based motivated performance in humans

Rolf Gruetter, Maria del Carmen Sandi Perez, Lijing Xin, Gediminas Luksys, Alina Veronika Irene Strasser

Substantial evidence implicates the nucleus accumbens in motivated performance, but very little is known about the neurochemical underpinnings of individual differences in motivation. Here, we applied 1H magnetic resonance spectroscopy (1H-MRS) at ultra-hi ...

2020

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

A Unified Strategy toward the Synthesis of Acerogenin-Type Macrocycles: Total Syntheses of Acerogenins A, B, C, and L and Aceroside IV

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SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

Live-cell imaging powered by computation

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

Glutamine-to-glutamate ratio in the nucleus accumbens predicts effort-based motivated performance in humans

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

Glutamine-to-glutamate ratio in the nucleus accumbens predicts effort-based motivated performance in humans

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

Advances in computational and statistical diffusion MRI

SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

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

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

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

Live-cell imaging powered by computation

Unfolding the prospects of computational (bio)materials modeling