Faraday Discussions of the Chemical Society

Jpm Postma

Hjc Berendsen

[No Value] Haak

Faraday Symposia of the Chemical Society

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

水中的空腔形成热力学 - 分子动力学研究

水中的空腔形成热力学——分子动力学研究

Automated Synthesis Planning has recently re-emerged as a research area at the intersection of chemistry and machine learning. Despite the appearance of steady progress, we argue that imperfect benchmarks and...

Krzysztof Maziarz

Austin Tripp

Guoqing Liu

Megan Stanley

Shufang Xie

Piotr Gainski

Philipp Seidl

Marwin Segler

Faraday Discussions

Faraday Discuss.

Re-evaluating Retrosynthesis Algorithms with Syntheseus

重新评估Syntheseus中的逆合成算法

The industrial production of MIL-160(Al), a prototypical metal–organic framework, was analysed by production cost estimation. The scalable synthesis conditions were confirmed in a pilot scale production.

Maria Inês Severino

Effrosyni Gkaniatsou

Farid Nouar

Moisés L. Pinto

Christian Serre

MOFs industrialization: a complete assessment of production costs

MOFs工业化：生产成本的全面评估

We discuss the possibility of exploiting local minima of the molecular electrostatic potential for locating protonation sites in molecules in a fully automated manner.

Stephanie A. Grimmel

Markus Reiher

The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms

静电势作为反应机理自动探索中质子化倾向的描述符

Dark states of molecular nitrogen in the XUV region are spectroscopically investigated using few-femtosecond dynamic wave packet control.

Erika R. Warrick

Ashley P. Fidler

Wei Cao

Etienne Bloch

Daniel M. Neumark

Stephen R. Leone

Multiple pulse coherent dynamics and wave packet control of the N2 a′′ 1Σ+g dark state by attosecond four-wave mixing

多脉冲相干动力学与阿秒四波混频对N2 a′′ 1Σ+g暗态的波包控制

This paper discusses the use of <italic>N</italic>,<italic>N</italic>′-disubstituted-dihydrodibenzo[<italic>a</italic>,<italic>c</italic>]phenazines with typical Vibration-Induced-Emission (VIE) properties for imaging amyloid β (Aβ) fibrils, which are a signature of neurological disorders such as Alzheimer's disease. A water-soluble VIEgen with a red fluorescence emission shows a pronounced, blue-shifted emission with Aβ peptide monomers and fibrils. The enhancement in blue fluorescence can be ascribed to the restriction of the molecular vibration by selectively binding to Aβ. We determine an increasing blue-to-red emission ratio of the VIEgen with both the concentration and fibrogenesis time of Aβ, thereby enabling a ratiometric detection of Aβ in its different morphological forms. Importantly, the VIEgen was proven to be suitable for the fluorescence imaging of small Aβ plaques in the hippocampus of a transgenic mouse brain (five months old), with the blue and red emissions well overlapped on the Aβ. This research offers a new rationale to design molecular VIE probes for biological applications.

短名	Faraday Symp. Chem. Soc.
Journal Impact	3.40
国际分区	CHEMISTRY, PHYSICAL(Q2)

出版信息	出版商: Royal Society of Chemistry，出版周期: ，期刊类型: journal，开源期刊: 否
基本数据	创刊年份: 1972，原创研究文献占比: ，自引率:， Gold OA占比:

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THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

Re-evaluating Retrosynthesis Algorithms with Syntheseus

MOFs industrialization: a complete assessment of production costs

The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms

Multiple pulse coherent dynamics and wave packet control of the N2 a′′ 1Σ+g dark state by attosecond four-wave mixing

Vibration-Induced-Emission (VIE) for imaging amyloid β fibrils