Statistical Analysis of Ion Mobility Spectrometry. I. Unbiased and Guided Replica-Exchange Molecular Dynamics

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Traditionally, mass spectrometry (MS) output is the ion abundance plotted versus the ionic mass-to-charge ratio m/z. While employing only commercially available equipment, Charge Determination Analysis (CHARDA) adds a third dimension to MS, estimating for ...

A key challenge across many disciplines is to extract meaningful information from data which is often obscured by noise. These datasets are typically represented as large matrices. Given the current trend of ever-increasing data volumes, with datasets grow ...

Zoning reform is a crucial tool for cities to adapt to contemporary challenges. However, its implementation remains challenging. Property owners, with a vested interest in the value of their neighborhoods, are sensitive to local developments and the potent ...

This work addresses the need for precise control of thin film sputtering processes to enable thin film material tailoring on the example of zinc tin nitride (ZTN) thin films deposited via microwave plasma-assisted high power reactive magnetron sputtering ( ...

Background: Static posterior subluxation of the humeral head (SPSH) results in glenohumeral osteoarthritis. Treatment strategies for SPSH with or without resulting osteoarthritis remain challenging. There is growing interest in evaluating the rotator cuff ...

Stroke, a major global health concern often rooted in cardiac dynamics, demands precise risk evaluation for targeted intervention. Current risk models, like the CHA 2 DS 2 -VASc \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepa ...

In a collaboration between Ecole Polytechnique Fédérale de Lausanne (EPFL) and CEA, in the fall of 2020, the experimental Programme d’Étude en Transmission de l’Acier Lourd et ses Eléments (PETALE) was successfully carried out in the CROCUS reactor of EPFL ...

At CERN's Large Hadron Collider (LHC), proton and heavy-ion beams are accelerated to multi-TeV energies to be collided for the needs of the scientific community around the world. The total stored beam energy of tens to hundreds ofMJ creates potential threa ...

High-level waste, stemming from nuclear electricity generation poses significant environmental and safety concerns. Currently, high-level wastes are stored in interim facilities needing constant monitoring and waiting for a definitive solution. Deep geolog ...

High-resolution ion mobility spectrometry (IMS) coupled with cryogenic infrared spectroscopy has proven to be a powerful technique for the identification of oligosaccharides. However, the need for an extensive database, combined with the scarcity of pure s ...

Glycans play a pivotal role in both physiological processes; however, the field of glycobiology remains relatively understudied within biochemistry. The intricate complexity of glycans, coupled with their abundance of isomeric forms, presents formidable ch ...

The structural elucidation of metabolite molecules is important in many branches of the life sciences. However, the isomeric and isobaric complexity of metabolites makes their identification extremely challenging, and analytical standards are often require ...

Glycans play an essential role in numerous physiological and pathological processes of living organisms. Despite their significant biological relevance, glycobiology remains one of the least explored fields of biochemistry. The intrinsic isomeric complexit ...

Continuous development of thin film deposition technologies is essential for the fabrication of films that meet the specific requirements of their target applications and working conditions. Therefore, it is necessary to increase the number of accessible a ...

Higher-order asymptotics provide accurate approximations for use in parametric statistical modelling. In this thesis, we investigate using higher-order approximations in two-specific settings, with a particular emphasis on the tangent exponential model. ...

Permanent rainbow trout (Oncorhynchus mykiss) cell lines represent potential in vitro alternatives to experiments with fish. We here developed a method to assess the bioaccumulation potential of anionic organic compounds in fish, using the rainbow trout li ...

In this work, we investigate the intrinsic cycle-to-cycle variations in a spiking temperature-sensitive neuron, based on the resistive switching of a Vanadium dioxide (VO2) two-terminal device. We study how this phenomenon impacts the spike rate jitter, an ...

DNA mechanics plays a crucial role in many biological processes, including nucleosome positioning and protein-DNA interactions. It is believed that nature employs epigenetic modifications in DNA to further regulate gene expression. Moreover, double-strande ...

In certain cases of astronomical data analysis, the meaningful physical quantity to extract is the ratio R between two data sets. Examples include the lensing ratio, the interloper rate in spectroscopic redshift samples, and the decay rate of gravitational ...

Microchannel plates fabricated from hydrogenated amorphous silicon (AMCPs) are a promising alternative to conventional glass microchannel plates. Their main advantages lie in their flexible fabrication processes, allowing for adaptable channel shapes and t ...

Statistical Analysis of Ion Mobility Spectrometry. I. Unbiased and Guided Replica-Exchange Molecular Dynamics

Chattez avec Graph Search

Adding Color to Mass Spectra of Biopolymers: Charge Determination Analysis (CHARDA) Assigns Charge State to Every Ion Peak

Spectral Estimators for High-Dimensional Matrix Inference

Spatial Modeling for Building Design Evaluation: from Visual Landscape Quality Assessment to Devaluation Risk Estimation

Nanostructure and Optical Property Tailoring of Zinc Tin Nitride Thin Films through Phenomenological Decoupling: A Pathway to Enhanced Control

Three-dimensional evaluation of the transverse rotator cuff muscle's resultant force angle in relation to scapulohumeral subluxation and glenoid vault morphology in nonpathological shoulders

A comprehensive stroke risk assessment by combining atrial computational fluid dynamics simulations and functional patient data

High-Resolution Modeling Without Computation Slowdown for PETALE in CROCUS

Studies of crystal collimation for heavy ion operation at the LHC

A FEM modelling workflow to simulate THM effects in the rock around nuclear waste packages

Identification of human milk oligosaccharide positional isomers by combining IMS-CID-IMS and cryogenic IR spectroscopy

Advancing Glycan Analysis: Cryogenic Ion Spectroscopy for Database-Driven Identification

New Approach for the Identification of Isobaric and Isomeric Metabolites

Combining ion mobility spectrometry and cryogenic ion spectroscopy with enzymatic digestion/synthesis for the study of N-linked glycans

Plasma-Assisted Hybrid Vapour Deposition Technology for Thin Film Fabrication

Higher Order Asymptotics: Applications to Satellite Conjunction and Boundary Problems

Investigating the bioaccumulation potential of anionic organic compounds using a permanent rainbow trout liver cell line

Static and Dynamic Stochastic Analysis of a Temperature-Sensitive VO2 Spiking Neuron

cgNA+: A sequence-dependent coarse-grain model of double-stranded nucleic acids

An Unbiased Method of Measuring the Ratio of Two Data Sets

New Developments in Amorphous Silicon Based Microchannel Plates