Effect of temperature on signal overlap.

<p>The experiment was performed with a virtual library of 500 compounds and a peak distribution of 50% aromatic and 50% aliphatic.</p

Effect of the reduction of the size of the fragments.

<p>X-axis showed %reduction of the size of all segments and y-axis %similarity between the number of peaks in each segment before and after the reduction.</p

¹H- NMR spectra sample.

<p><b>A:</b> Overlaid ¹H-NMR spectra of five different fragments (1 mM in sample buffer: 50 µM phosphate buffer pH 7.0, 50 µm NaCl, 3% DMSO-d₆), recorded at 37°C and 500 MHz. The arrows indicate residual peaks from H₂O, DMSO and <i>t</i>-butanol (internal standard). <b>B:</b> Fingerprint of an <i>in silico</i>-designed mixture with zero or near-zero signal overlap. <b>C:</b> 1H-NMR spectrum of the five fragments mixed together (500 uM each) under identical experimental conditions as in 1A (the signal at 0 ppm corresponds to DSS).</p

Characteristics and performance of the tested algorithms.

<p>The scoring function in the deterministic algorithms is based on achieving zero signal overlap (<i>Scoring = Ni</i>, where N_i: number of fragments in the mixture) while in stochastic algorithms the scoring function is based on achieving minimal signal overlap (, where N_ov: number of overlapped signals of compound <i>i</i>, and N_t: total number of signals of compound <i>i</i>).</p

Active Optical Metasurfaces Based on Defect-Engineered Phase-Transition Materials

Active, widely tunable optical materials have enabled rapid advances in photonics and optoelectronics, especially in the emerging field of meta-devices. Here, we demonstrate that spatially selective defect engineering on the nanometer scale can transform phase-transition materials into optical metasurfaces. Using ion irradiation through nanometer-scale masks, we selectively defect-engineered the insulator-metal transition of vanadium dioxide, a prototypical correlated phase-transition material whose optical properties change dramatically depending on its state. Using this robust technique, we demonstrated several optical metasurfaces, including tunable absorbers with artificially induced phase coexistence and tunable polarizers based on thermally triggered dichroism. Spatially selective nanoscale defect engineering represents a new paradigm for active photonic structures and devices

Active Optical Metasurfaces Based on Defect-Engineered Phase-Transition Materials

Active, widely tunable optical materials have enabled rapid advances in photonics and optoelectronics, especially in the emerging field of meta-devices. Here, we demonstrate that spatially selective defect engineering on the nanometer scale can transform phase-transition materials into optical metasurfaces. Using ion irradiation through nanometer-scale masks, we selectively defect-engineered the insulator-metal transition of vanadium dioxide, a prototypical correlated phase-transition material whose optical properties change dramatically depending on its state. Using this robust technique, we demonstrated several optical metasurfaces, including tunable absorbers with artificially induced phase coexistence and tunable polarizers based on thermally triggered dichroism. Spatially selective nanoscale defect engineering represents a new paradigm for active photonic structures and devices

Ultrafast and Nanoscale Plasmonic Phenomena in Exfoliated Graphene Revealed by Infrared Pump–Probe Nanoscopy

Pump–probe spectroscopy is central for exploring ultrafast dynamics of fundamental excitations, collective modes, and energy transfer processes. Typically carried out using conventional diffraction-limited optics, pump–probe experiments inherently average over local chemical, compositional, and electronic inhomogeneities. Here, we circumvent this deficiency and introduce pump–probe infrared spectroscopy with ∼20 nm spatial resolution, far below the diffraction limit, which is accomplished using a scattering scanning near-field optical microscope (s-SNOM). This technique allows us to investigate exfoliated graphene single-layers on SiO₂ at technologically significant mid-infrared (MIR) frequencies where the local optical conductivity becomes experimentally accessible through the excitation of surface plasmons via the s-SNOM tip. Optical pumping at near-infrared (NIR) frequencies prompts distinct changes in the plasmonic behavior on 200 fs time scales. The origin of the pump-induced, enhanced plasmonic response is identified as an increase in the effective electron temperature up to several thousand Kelvin, as deduced directly from the Drude weight associated with the plasmonic resonances