Related papers: Rapid IRMPD analysis for glycomics
Interferometric scattering microscopy has been a very promising technology for highly sensitive label-free imaging of a broad spectrum of biological nanoparticles from proteins to viruses in a high-throughput manner. Although it can reveal…
Mid-infrared (mid-IR) spectroscopy offers unparalleled sensitivity for the detection of trace gases, solids and liquids, which is based on the existence of strong telltale vibrational bands in this part of the spectrum. It was shown more…
Cavity-enhanced frequency comb spectroscopy for molecule detection in the mid-infrared powerfully combines high resolution, high sensitivity, and broad spectral coverage. However, this technique, and essentially all spectroscopic methods,…
The dissociation of ligands from proteins and other biomacromolecules occurs over a wide range of timescales. For most pharmaceutically relevant inhibitors, these timescales are far beyond those that are accessible by conventional molecular…
We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…
We present a novel approach to calculate molecular IR spectra based on semiclassical molecular dynamics. The main advance from a previous semiclassical method [M. Micciarelli, R. Conte, J. Suarez, M. Ceotto J. Chem. Phys. 149, 064115…
Mid-infrared (mid-IR) spectroscopy provides a way to study structures and dynamics of complicated molecules in condensed phases. Therefore, developing compact and broadband mid-IR spectrometer has been a long-standing challenge. Here, we…
INTEGRAL observations provide a large amount of data on accreting binary systems. The interpretation of the spectral emission of these sources needs timing analysis and phase resolved spectroscopy, which are really cumbersome tasks if…
Infrared spectroscopy is key to elucidate molecular structures, monitor reactions and observe conformational changes, while providing information on both structural and dynamical properties. This makes the accurate prediction of infrared…
Vibrational spectroscopy, comprised of infrared absorption and Raman scattering spectroscopy, is widely used for label-free optical sensing and imaging in various scientific and industrial fields. The group theory states that the two…
Raman spectroscopy is a powerful experimental technique for characterizing molecules and materials that is used in many laboratories. First-principles theoretical calculations of Raman spectra are important because they elucidate the…
Nuclear Magnetic Resonance (NMR) spectroscopy is a crucial analytical technique used for molecular structure elucidation, with applications spanning chemistry, biology, materials science, and medicine. However, the frequency resolution of…
In this letter we demonstrate the possibility to determine the temporal and spectral structure (spectrogram) of a complex light pulse exploiting the ultrafast switching character of a non-thermal photo-induced phase transition. As a proof,…
The mid-infrared spectral window is essential for molecular fingerprinting and atmospheric sensing, yet unlocking its full potential is currently constrained by a fundamental instrumental trade-off: existing systems cannot simultaneously…
This paper reviews Irradiation Driven Molecular Dynamics (IDMD) - a novel computational methodology for atomistic simulations of the irradiation driven transformations of complex molecular systems implemented in the MBN Explorer software…
We investigate the system of a heavy impurity immersed in a degenerated Fermi gas, where the impurity's internal degree of freedom (pseudospin) is manipulated by a series of radiofrequency (RF) pulses at several different times. Applying…
Spectral measurements in the infrared (IR) optical range provide unique fingerprints of materials which are useful for material analysis, environmental sensing, and health diagnostics. Current IR spectroscopy techniques require the use of…
Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides and even proteins. Raman spectra can be simulated based on the change of the electronic polarizability with vibrations,…
Two-dimensional infrared (2DIR) spectroscopy is widely used to study molecular dynamics but it is typically restricted to solid and liquid phase samples and modest spectral resolution. Only recently, its potential to study gas-phase…
Time-resolved spectral analysis, though a very promising method to understand the emission mechanism of gamma-ray bursts (GRBs), is difficult to implement in practice because of poor statistics. We present a new method for pulse-wise…