Improved Prediction of Carbonless NMR Spectra by the Machine Learning of Theoretical and Fragment Descriptors for Environmental Mixture Analysis

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In-vivo investigation of electrochemical behavior of Ti and CoCrMo alloy in human synovial fluids

Yueyue Bao

With the development of modern medical techniques, the application of orthopedic implants has been continually increasing in recent years. Passive materials, such as Ti and its alloys as well as CoCrMo alloys, are widely used in artificial joints due to th ...

EPFL2023

The Pristine survey - XXI. Exploring the metal-poor boundary with ESPaDoNS

Pascale Jablonka

In this paper, we study high-resolution spectra of 19 stars that have metallicity estimates below -3.5 using at least two metallicity-sensitive photometric indices based on Pristine photometry. The purpose is to understand what kind of stars populate this ...

OXFORD UNIV PRESS2023

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

Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures

Ursula Röthlisberger, Murat Kiliç, Justin Villard

Identification of the most stable structure(s) of a system is a prerequisite for the calculation of any of its properties from first-principles. However, even for relatively small molecules, exhaustive explorations of the potential energy surface (PES) are ...

AMER CHEMICAL SOC2023