RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis

Kavli Affiliate: Molly Stevens | Summary:Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still impeded by the lack of software, methodological and data standardisation, and the ensuing fragmentation and lack […]


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A new twist on PIFE: photoisomerisation-related fluorescence enhancement

Kavli Affiliate: Achillefs Kapanidis | Summary:PIFE was first used as an acronym for protein-induced fluorescence enhancement, which refers to the increase in fluorescence observed upon the interaction of a fluorophore, such as a cyanine, with a protein. This fluorescence enhancement is due to changes in the rate of cis/trans photoisomerisation. It is clear now that […]


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Efficiently computing the Uhlmann fidelity for density matrices

Kavli Affiliate: Andrew Baldwin | Summary:We consider the problem of efficiently computing the Uhlmann fidelity in the case when explicit density matrix descriptions are available. We derive an alternative formula which is simpler to evaluate numerically, saving a factor of 10 in time for large matrices. | Search Query: arXiv Query: search_query=au:”Baldwin Andrew J.”&id_list=&start=0&max_results=10Read More


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Unsupervised hyperspectral data mining and bioimaging by information entropy and self-modeling curve resolution

Kavli Affiliate: Molly Stevens | Summary:Unsupervised estimation of the dimensionality of hyperspectral microspectroscopy datasets containing pure and mixed spectral features, and extraction of their representative endmember spectra, remains a challenge in biochemical data mining. We report a new versatile algorithm building on semi-nonnegativity constrained self-modeling curve resolution and information entropy, to estimate the quantity of […]


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Personalised recommendations of sleep behaviour with neural networks using sleep diaries captured in Sleepio

Kavli Affiliate: Colin Espie | Summary:SleepioTM is a digital mobile phone and web platform that uses techniques from cognitive behavioural therapy (CBT) to improve sleep in people with sleep difficulty. As part of this process, Sleepio captures data about the sleep behaviour of the users that have consented to such data being processed. For neural […]


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A preparative mass spectrometer to deposit intact large native protein complexes

Kavli Affiliate: Stephan Rauschenbach | Summary:Electrospray ion-beam deposition (ES-IBD) is a versatile tool to study structure and reactivity of molecules from small metal clusters to large protein assemblies. It brings molecules gently into the gas phase where they can be accurately manipulated and purified, followed by controlled deposition onto various substrates. In combination with imaging […]


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Sensing force and charge at the nanoscale with a single-molecule tether

Kavli Affiliate: Philipp Kukura | Summary:Measuring the electrophoretic mobility of molecules is a powerful experimental approach for investigating biomolecular processes. A frequent challenge in the context of single-particle measurements is throughput, limiting the obtainable statistics. Here, we present a molecular force sensor and charge detector based on parallelised imaging and tracking of tethered double-stranded DNA […]


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Micromirror total internal reflection microscopy for high-performance single particle tracking at interfaces

Kavli Affiliate: Philipp Kukura | Summary:Single particle tracking has found broad applications in the life and physical sciences, enabling the observation and characterisation of nano- and microscopic motion. Fluorescence-based approaches are ideally suited for high-background environments, such as tracking lipids or proteins in or on cells, due to superior background rejection. Scattering-based detection is preferable […]


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Design of Experiments for Verifying Biomolecular Networks

Kavli Affiliate: Molly Stevens | Summary:There is a growing trend in molecular and synthetic biology of using mechanistic (non machine learning) models to design biomolecular networks. Once designed, these networks need to be validated by experimental results to ensure the theoretical network correctly models the true system. However, these experiments can be expensive and time […]


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Fast Molecular Compression by a Hyperthermal Collision Gives Bond-Selective Mechanochemistry

Kavli Affiliate: Stephan Rauschenbach | Summary:Using electrospray ion beam deposition, we collide the complex molecule Reichardt’s Dye (C41H30NO+) at low, hyperthermal translational energy (2-50 eV) with a Cu(100) surface and image the outcome at single-molecule level by scanning tunneling microscopy. We observe bond-selective reaction induced by the translational kinetic energy. The collision impulse compresses the […]


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