Publications by authors named "J S Nyman"
Article Synopsis
- Proteoglycans like biglycan (Bgn) and decorin (Dcn) are crucial for bone health, primarily by attracting water through their unique structures, but their specific functions are not fully understood.
- Research using knockout mouse models revealed that Bgn deficiency leads to significant bone loss and reduced resilience, while Dcn appears to have a less pronounced impact, although it compensates when Bgn is absent.
- Both Bgn and Dcn are essential for important signaling pathways in bone maintenance, with Bgn playing a dominant role in preserving bone structure and hydration levels.
The seventh blind test of crystal structure prediction: structure ranking methods.
Acta Crystallogr B Struct Sci Cryst Eng Mater
December 2024
Article Synopsis
- Participants from 22 research groups utilized various methods, including periodic DFT-D methods, machine learning models, and empirical force fields to assess crystal structures generated from standardized sets.
- The findings indicate that DFT-D methods generally aligned well with experimental results, while one machine learning approach showed significant promise; however, the need for more efficient research methods was emphasized due to resource consumption.
Purpose: Radiation pneumonitis (RP) is a dose-limiting toxicity associated with increased mortality for patients with non-small cell lung cancer (NSCLC) treated with chemoradiotherapy (CRT). This study aims to assess the incidence of symptomatic RP (grade 2-5), rate of recovery and associated predictive factors.
Material And Methods: We performed a retrospective population-based study including 602 patients with NSCLC who were treated with CRT between 2002 and 2016.
The seventh blind test of crystal structure prediction: structure generation methods.
Acta Crystallogr B Struct Sci Cryst Eng Mater
December 2024
A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern.
View Article and Find Full Text PDFOptimizing number of Raman spectra using an artificial neural network guided Monte Carlo simulation approach to analyze human cortical bone.
Spectrochim Acta A Mol Biomol Spectrosc
January 2025
This study presents a novel methodology for optimizing the number of Raman spectra required per sample for human bone compositional analysis. The methodology integrates Artificial Neural Network (ANN) and Monte Carlo Simulation (MCS). We demonstrate the robustness of ANN in enabling prediction of Raman spectroscopy-based bone quality properties even with limited spectral inputs.
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