Publications associées à High Sensitivity Detection of a Solubility Limiting Surface Transformation of Drug Particles by DNP SENS

Publications associées (40)

Rosette Spectroscopic Imaging for Whole-Brain Slab Metabolite Mapping at 7T: Acceleration Potential and Reproducibility

Lijing Xin, Mark Stephan Widmaier, Ying Xiao, Zhiwei Huang, André Döring

Whole-brain proton magnetic resonance spectroscopic imaging (H-1-MRSI) is a non-invasive technique for assessing neurochemical distribution in the brain, offering valuable insights into brain functions and neural diseases. It greatly benefits from the impr ...

Wiley2025

Fast Quantification of Creatine Kinase Activity by Phosphorus Magnetic Resonance Fingerprinting

Mark Stephan Widmaier

A novel fast 3D-31P-B+1 mapping method called the frequency-selective Double-AngleMethod (fDAM) has been developed. This method integrates a 3D weighted stack of spiral gradient echo acquisitions with a frequency-selective pulse to efficiently map B+1 fiel ...

EPFL2025

1H–19F cross-polarization magic angle spinning dynamic nuclear polarization NMR investigation of advanced pharmaceutical formulations

David Lyndon Emsley

A new 3.2 mm 1H–19F–X magic angle spinning dynamic nuclear polarization NMR (MAS DNP-NMR) probe was developed with a unique coil design with separate radiofrequency channels for 1H excitation and 13C or 19F detection to enable acquisition of 1H–19F cross-p ...

Academic Press Inc - Elsevier Science2025

Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography

David Lyndon Emsley, Manuel Cordova, Albert Hofstetter, Pierrick Berruyer, Federico Maria Paruzzo, Bruno Simões de Almeida, Martins Balodis, Daria Torodii, Jacob Brian Holmes

We determine the complete atomic-level structure of the amorphous form of the drug atuliflapon, a 5-lipooxygenase activating protein (FLAP) inhibitor, via chemical-shift-driven NMR crystallography. The ensemble of preferred structures allows us to identify ...

2024

Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T

David Lyndon Emsley, Michael Allan Hope, Federico De Biasi, Máté Visegrádi

Solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) is a nuclear magnetic resonance spectroscopy technique in which nuclear spin hyperpolarization is generated upon optical irradiation of an appropriate donor-acceptor system. Unt ...

Amer Chemical Soc2024

Quantitative prediction of crystallization in laser powder bed fusion of a Zr-based bulk metallic glass with high oxygen content

Roland Logé, Jamasp Jhabvala, Navid Sohrabi, Hossein Ghasemi Tabasi, Toni Ivas

One of the main challenges in the fabrication of bulk metallic glasses (BMGs) via laser-based additive manufacturing (AM) is undesirable crystal phase formation, which usually deteriorates the mechanical properties of the BMG fabricated parts. Understandin ...

Elsevier Sci Ltd2024

Overhauser enhanced liquid state nuclear magnetic resonance spectroscopy in one and two dimensions

Marcel Levien

Nuclear magnetic resonance (NMR) is fundamental in the natural sciences, from chemical analysis and structural biology, to medicine and physics. Despite its enormous achievements, one of its most severe limitations is the low sensitivity, which arises from ...

NATURE PORTFOLIO2024

Well-Defined Ti Surface Sites in Ziegler-Natta Pre-Catalysts from 47/49Ti Solid-State Nuclear Magnetic Resonance Spectroscopy

Pierrick Berruyer

Treatment of Ziegler-Natta (ZN) catalysts with BCl3 improves their activity by increasing the number of active sites. Here we show how Ti-47/49 solid-state nuclear magnetic resonance (NMR) spectroscopy enables us to understand the electronic structure of t ...

Amer Chemical Soc2024

Influence of ionization and cumulative effects on laser-induced crystallization in multilayer dielectrics

Yves Bellouard, Victor Carle Adrien Boureau, Ruben Ricca

Crystallization of amorphous layers has been demonstrated under various radically different laser-exposure conditions, including continuous wave (cw) and pulsed lasers. Here, we investigate the specific role of ionization in the crystallization of dielectr ...

2024

Font Side Solutions for c-Si Solar Cells with High-Temperature Passivating Contacts

Ezgi Genç

In this work, we studied the potential of using thin films deposited by plasma-enhanced chemical vapor deposition (PECVD) for two main purposes: introducing an n-type passivating contact at the front of a TOPCon solar cell, or simplifying the fabrication o ...

EPFL2024

The Electronic-Structure Genome of Inorganic Crystals

Junfeng Qiao

Electronic structure theory plays a central role in understanding properties of crystalline materials. Among all the ab initio methods, density functional theory (DFT) is the most popular choice due to its balance between accuracy and computational cost, a ...

EPFL2024

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

Bingxin Chu

In aqueous solutions, a charged surface causes the redistribution of nearby ions. The ion layers formed are known as the electrical double layer (EDL), and are widespread in many systems involving electrochemistry, colloidal science, biomedicine, and energ ...

EPFL2024

Thermal Conditions in Indoor Environments: Exploring the Reasoning behind Standard-Based Recommendations

Dolaana Khovalyg, Sarah Wael Ahmed Crosby

Professionals in the building design and operation fields typically look at standards and guidelines as a reliable source of information and guidance with regard to procedural, contractual, and legal scope and requirements that are relevant to accountabili ...

2023

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

Atomic-level structure determination of amorphous molecular solids by NMR

David Lyndon Emsley, Arthur César Pinon, Manuel Cordova, Pinelopi Moutzouri

Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder ...

Nature Portfolio2023

Micromechanics of oxide inclusions in ferrous alloys

Alejandra Inés Slagter

Oxide inclusions are inevitably present in steel as a direct consequence of the steelmaking process; as a result, a cubic centimetre of modern steel will generally contain about a million of these hard and brittle micrometre-sized ceramic particles. Inclus ...

EPFL2023

When do Minimax-fair Learning and Empirical Risk Minimization Coincide?

Volkan Cevher

Minimax-fair machine learning minimizes the error for the worst-off group. However, empirical evidence suggests that when sophisticated models are trained with standard empirical risk minimization (ERM), they often have the same performance on the worst-of ...

2023

Learning Transformations To Reduce the Geometric Shift in Object Detection

Mathieu Salzmann, Martin Pierre Engilberge, Vidit Vidit

The performance of modern object detectors drops when the test distribution differs from the training one. Most of the methods that address this focus on object appearance changes caused by, e.g., different illumination conditions, or gaps between syntheti ...

Ieee Computer Soc2023

Predicting party switching through machine learning and open data

Silvestro Micera

Parliament dynamics might seem erratic at times. Predicting future voting patterns could support policy design based on the simulation of voting scenarios. The availability of open data on legislative activities and machine learning tools might enable such ...

CELL PRESS2023

Effect of ZnO on the reactivity of cementitious systems

Andrea Eloisa Teixeira Pita

One of the biggest driving forces in cement research today is the mitigation of the CO2 emissions caused by its production. A potential solution to reduce the environmental impact is to replace cement with supplementary cementitious materials (SCMs). This ...

EPFL2022