Results 31 to 40 of about 4,448,305 (256)
Molecular conformational evolution mechanism during nucleation of crystals in solution
IUCrJ, 2020 Nucleation of crystals from solution is fundamental to many natural and industrial processes. In this work, the molecular mechanism of conformational polymorphism nucleation and the links between the molecular conformation in solutions and in crystals ...
Xin Li +8 more
doaj +1 more source
Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem [PDF]
, 2021 Spectroscopy is the study of how matter interacts with electromagnetic radiations of specific frequencies that has led to several monumental discoveries in science.
U. Deva, Priyakumar +3 more
core +1 more source
Spectroscopy JournalThis Special Issue is dedicated to honoring the extraordinary scientific career and enduring impact of Professor Henry H [...]
Sylvia Turrell, Rui Fausto
doaj +1 more source
Pediatric Blood &Cancer, EarlyView.ABSTRACT As part of the European Cooperative Study Group for Paediatric Rare Tumours initiative, we developed standard clinical practice guidelines for ovarian sex cord stromal tumors, based on comprehensive national and international cohort analyses, literature review, and a final expert consensus conference.
Dominik T. Schneider +15 more
wiley +1 more source
ON THE GF-VALUES FOR SOME DIATOMIC MOLECULAR SPECTRA
Odessa Astronomical Publications, 2017 In view of rich structure of the energy levels and the variety of transition types which are observable, molecules are the useful tool for investigation of physical parameters of stellar atmospheres, interstellar and circumstellar matter.
L. A. Kuznetsova, A. V. Shavrina
doaj +1 more source
Computing inelastic neutron scattering spectra from molecular dynamics trajectories
Scientific Reports, 2021 Inelastic neutron scattering (INS) provides a weighted density of phonon modes. Currently, INS spectra can only be interpreted for perfectly crystalline materials because of high computational cost for electronic simulations.
Thomas F. Harrelson +5 more
doaj +1 more source
Central Nervous System Tumors Among Infants in Canada: A Report From CYP‐C
Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Central nervous system (CNS) tumors in infants are rare, pose unique clinical challenges, and lack large‐scale evidence‐based data to guide management. This study seeks to describe CNS tumors in Canadian infants and to compare their outcomes with those of older children.
Samuel Sassine +17 more
wiley +1 more source
Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules
Journal of Spectroscopy, 2013 Rotational spectroscopy can provide insights of unparalleled precision with respect to the wavefunctions of molecular systems that have relevance in fields as diverse as astronomy and biology.
S. A. Cooke, P. Ohring
doaj +1 more source
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Background Chronic micro‐inflammation in patients with end‐stage renal disease (ESRD) is a significant driver of cardiovascular complications and diminished quality of life. While standard hemodialysis (SHD) effectively manages small‐molecule clearance, its ability to remove medium‐to‐large uremic toxins—the primary catalysts of systemic ...
Hongwei Zuo +5 more
wiley +1 more source
A machine learning approach to explore the spectra intensity pattern of peptides using tandem mass spectrometry data [PDF]
, 2008 Background: A better understanding of the mechanisms involved in gas-phase fragmentation of peptides is essential for the development of more reliable algorithms for high-throughput protein identification using mass spectrometry (MS).
Cong Zhou +13 more
core +1 more source