ChemCalc: a building block for tomorrow’s chemical infrastructure

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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 ...

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 ...

Macromolecular mass fingerprinting using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry is a quick tool for biochemical analysis. In combination with algorithms for automated data analysis and interpretation, it has wide appli ...

In this paper we present the Open Software Services for Classrooms and Research (OSSCAR) platform. OSSCAR provides an open collaborative environment to develop and access educational resources in the form of web applications, for which various deployment m ...

Interactive mobile applications like web browsing and gaming are known to benefit significantly from low latency networking, as applications communicate with cloud servers and other users' devices. Emerging mobile channel standards have not met these needs ...

Nanoparticles (NPs) have wide applications in physical and chemical processes, and their individual properties (e.g., shape, size, and composition) and ensemble properties (e.g., distribution and homogeneity) can significantly affect the performance. Howev ...

In the Digital Age, the analysis and exploration of unstructured document collections is of central importance to members of investigative professions, whether they might be scholars, journalists, paralegals, or analysts. In many of their domains, entities ...

Secondary Ion Mass Spectrometry (SIMS) extracts chemical, elemental, or isotopic information about a localized area of a solid target by performing mass spectrometry on secondary ions sputtered from its surface by the impact of a beam of charged particles. ...

As more educational activities are conducted online, the need for interactive applications (apps) that can effectively support educators in their practice is increasing. These apps are often created by web developers or by researchers, educators, and even ...

Wikipedia is the largest source of free encyclopedic knowledge and one of the most visited sites on the Web. To increase reader understanding of the article, Wikipedia editors add images within the text of the article's body. However, despite their widespr ...

Augmented/virtual realities (ARs/VRs) promise to revolutionize STEM education. However, most easy-to-use tools are limited to static visualizations, which limits the approachable content, whereas more interactive and dynamic alternatives require costly har ...

Infrared (IR) spectroscopy is a powerful tool used to infer detailed structural information on molecules, often in conjunction with quantum-chemical calculations. When applied to cryogenically cooled ions, IR spectra provide unique fingerprints that can be ...

We present cryogenic infrared spectra of sodiated beta-cyclodextrin beta-CD + Na, a common cyclic oligosaccharide, and its main dissociation products upon collision-induced dissociation (CID). We characterize the parent ions using high-resolution ion ...

Grammatical models which represent the hierarchical structure of chord sequences have proven very useful in recent analyses of Jazz harmony. A critical resource for building and evaluating such models is a ground-truth database of syntax trees that encode ...

Yacora on the Web (www.yacora.de ) is a web application providing access to collisional radiative models based on the flexible solver Yacora. The main application range is plasma diagnostics in low-pressure plasmas. Available online are three collisional r ...

Photoswitching of a charged azobenzene-stilbene dye is investigated through laser excitation in a tandem ion mobility mass spectrometer. Action spectra associated with E -> Z and Z -> E photoisomerisation of the stilbene group exhibit bands at 685 and 440 ...

Double-resonance spectroscopic schemes in combination with cryogenic ion traps are the go-to techniques when isomer-specific high-resolution spectra are required for analysis of molecular ions. Their limitation lies in the requirement for well-resolved, is ...

This thesis contributes to the field of analytical chemistry of solid samples by introducing a new instrument with unprecedented performance characteristics and analytical capabilities. The instrument is based on the laser ablation and ionisation time-of-f ...

AIRSpec is a platform consisting of several chemometric packages developed for analysis of Fourier transform infrared (FTIR) spectra of atmospheric aerosols. The packages are accessible through a browser-based interface, which also generates the necessary ...

The Web constitutes a valuable source of information. In recent years, it fostered the construction of large-scale knowledge bases, such as Freebase, YAGO, and DBpedia. The open nature of the Web, with content potentially being generated by everyone, howev ...

ChemCalc: a building block for tomorrow’s chemical infrastructure

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

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

Algorithms push forward the application of MALDI-TOF mass fingerprinting in rapid precise diagnosis

OSSCAR, an open platform for collaborative development of computational tools for education in science

DChannel: Accelerating Mobile ApplicationsWith Parallel High-bandwidth and Low-latency Channels

High-Throughput Sizing, Counting, and Elemental Analysis of Anisotropic Multimetallic Nanoparticles with Single-Particle Inductively Coupled Plasma Mass Spectrometry

ECCE: Entity-centric Corpus Exploration Using Contextual Implicit Networks

Surface Analysis by Secondary Ion Mass Spectrometry (SIMS): Principles and Applications from Swiss Laboratories

Supporting Developers in Creating Web Apps for Education via an App Development Framework

A large scale study of reader interactions with images on Wikipedia

MoleculARweb: A Web Site for Chemistry and Structural Biology Education through Interactive Augmented Reality out of the Box in Commodity Devices

Toward High-Throughput Cryogenic IR Fingerprinting of Mobility-Separated Glycan Isomers

Unravelling the structures of sodiated beta-cyclodextrin and its fragments

The Jazz Harmony Treebank

Yacora on the Web: Online collisional radiative models for plasmas containing H, H-2 or He

Near-infrared reversible photoswitching of an isolated azobenzene-stilbene dye

Combining ultra-high resolution ion-mobility spectrometry with cryogenic IR spectroscopy for the study of biomolecular ions

Development and performance evaluation of a high mass resolution time of flight laser ablation ionisation mass spectrometer

An open platform for Aerosol InfraRed Spectroscopy analysis - AIRSpec

User Guidance for Efficient Fact Checking