Publications related to Fast and shift-insensitive similarity comparisons of NMR using a tree-representation of spectra

Related publications (32)

129Xe Dynamic Nuclear Polarization Demystified: The Influence of the Glassing Matrix on the Radical Properties

Emma Linnea Wiström, Rolf Gruetter, Andrea Capozzi, Jean-Noël Hyacinthe, Thanh Phong Kevin Lê

129Xe dissolution dynamic nuclear polarization (DNP) is a controversial topic. The gold standard technique for hyperpolarized xenon magnetic resonance imaging (MRI) is spin exchange optical pumping, which received FDA approval in 2022. Nevertheless, the ve ...

2024

Oxidation processes and me

Urs von Gunten

This publication summarizes my journey in the field of chemical oxidation processes for water treatment over the last 30+ years. Initially, the efficiency of the application of chemical oxidants for micropollutant abatement was assessed by the abatement of ...

Pergamon-Elsevier Science Ltd2024

Optimal regimes for algorithm-assisted human decision-making

Mats Julius Stensrud, Aaron Leor Sarvet, Julien David Laurendeau

We consider optimal regimes for algorithm-assisted human decision-making. Such regimes are decision functions of measured pre-treatment variables and, by leveraging natural treatment values, enjoy a superoptimality property whereby they are guaranteed to o ...

2024

Microbial genome collection of aerobic granular sludge cultivated in sequencing batch reactors using different carbon source mixtures

Pilar Natalia Rodilla Ramírez, Christof Holliger, Aline Sondra Adler, Jaspreet Singh Saini, Laetitia Janine Andrée Cardona, Ruizhe Pei

Aerobic granular sludge (AGS) consists of a microbial consortium that has an important role in wastewater treatment. This study investigates AGS microorganisms cultivated in a laboratory-scale sequencing batch reactor. Metagenomic sequencing was conducted ...

Amer Soc Microbiology2024

The Mn(VII)-H2O2 oxidation process: Abatement of electron-deficient N-containing organic compounds

Urs von Gunten

Chemical oxidants applied in water treatment are electrophiles, which preferentially attack sites with higher electron density. This typically results in less efficient oxidative abatement of organic compounds with electronwithdrawing substituents. In this ...

Elsevier Science Sa2024

A continuous-wave and pulsed X-band electron spin resonance spectrometer operating in ultra-high vacuum for the study of low dimensional spin ensembles

Giovanni Boero, Fabio Donati, Soyoung Oh

We report the development of a continuous-wave and pulsed X-band electron spin resonance (ESR) spectrometer for the study of spins on ordered surfaces down to cryogenic temperatures. The spectrometer operates in ultra-high vacuum and utilizes a half-wavele ...

Aip Publishing2024

Monitoring an Emergent Pathogen at Low Incidence in Wastewater Using qPCR: Mpox in Switzerland

Tamar Kohn, Timothy R. Julian

Wastewater-based epidemiology offers a complementary approach to clinical case-based surveillance of emergent diseases and can help identify regions with infected people to prioritize clinical surveillance strategies. However, tracking emergent diseases in ...

2024

In Situ Synthesis of CuxO/N Doped Graphdiyne with Pyridine N Configuration for Ammonia Production via Nitrate Reduction

Sophia Haussener, Jian Li, Roberto Valenza

Electroreduction of nitrate to ammonia provides an interesting pathway for wastewater treatment and valorization. Cu-based catalysts are active for the conversion of NO3− to NO2− but suffer from an inefficient hydrogenation process of NO2−. Herein, CuxO/N- ...

2024

Quantification of Native Lignin Structural Features with Gel-Phase 2D-HSQC0 Reveals Lignin Structural Changes During Extraction

Jeremy Luterbacher, Stefania Bertella, Claire Laura Marion Charline Bourmaud

Our ability to study and valorize the lignin fraction of biomass is hampered by the fundamental and still unmet challenge of precisely quantifying native lignin's structural features. Here, we developed a rapid elevated-temperature H-1-C-13 Heteronuclear S ...

Wiley-VCH Verlag GmbH2024

MRI characterization of in vitro clots at 3T and 7T: A technical note

Lijing Xin, François Lazeyras

In acute ischemic stroke, the composition of the occlusive clot can be associated with the underlying pathophysiology and the response to treatment. For these reasons, it is important to characterize the clot composition from clinical scans. We examine the ...

Masson Editeur2024

Characterization of low-temperature plasmas generated by dielectric barrier discharges for bacterial inactivation

Lorenzo Ibba

Low-temperature plasmas (LTPs) at atmospheric pressure hold great promise for disinfection and sterilization applications. When compared to traditional sterilization technologies like autoclaving, LTPs may offer several benefits, including reduced energy c ...

EPFL2024

Two-dimensional Pure Isotropic Proton Solid State NMR

David Lyndon Emsley, Manuel Cordova, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

One key bottleneck of solid-state NMR spectroscopy is that H-1 NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifica ...

Wiley-VCH Verlag GmbH2023

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Manuel Cordova

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

David Lyndon Emsley, Dominik Józef Kubicki, Yu Rao, Amrit Venkatesh, Federico De Biasi

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Wiley-VCH Verlag GmbH2023

Development of strategies to improve 1H resolution in NMR of solids at 100 kHz magic-angle spinning

Bruno Simões de Almeida

In solid-state NMR, homonuclear dipolar couplings contribute greatly to the broadening of 1H spectral line shapes. Even at the fastest magic-angle spinning rates (MAS) available today [100-150kHz], the linewidths still extend over several hundred Hertz, li ...

EPFL2023

Single Chip Dynamic Nuclear Polarization Microsystems

Nergiz Sahin Solmaz

Nuclear magnetic resonance (NMR) methods are powerful tools employed in many fields, including physics, chemistry, material science, biology, and medicine. The use of NMR methodologies in an even wider range of applications is often hindered by the relativ ...

EPFL2023

Oxidative Water Treatment: The Track Ahead

Urs von Gunten

Chemical oxidation has been applied in municipal water treatment for more than a century, initially for disinfection. In the early decades, chlorine disinfection was adopted in the fight against waterborne disease. However, the oxidative properties of chlo ...

2023

Antiviral compounds, compositions and uses thereof

Francesco Stellacci, Matteo Gasbarri, Yong Zhu

Compounds, compositions and methods that can be used for the treatment of viral diseases are provided. ...

2023

Periodate activation with copper oxide nanomaterials for the degradation of ciprofloxacin- A new insight into the efficiency and mechanisms

Shaoxian Li

In this study, CuO was synthesized using a facile precipitation method and was characterized using various techniques for the efficient activation of periodate (PI). Compared to systems consisting of PI alone (0.5 mM) and CuO alone (0.5 g/L), the CuO (0.5 ...

ELSEVIER SCI LTD2023

Mechanistic insights on interactions of dissolved organic matter with chemical oxidants: quantification of reactive sites and identification of oxidation byproducts

Joanna Maria Houska

Chemical oxidants including ozone (O3), chlorine (HOCl/OCl-) and chlorine dioxide (ClO2) are applied for disinfection of drinking water. To cope with water scarcity and the increased risks associated with the presence of micropollutants, water treatment sy ...

EPFL2023