The multivariate-adjusted OR (95% CI) was estimated to evaluate the association of Lp(a) levels with prevalent MetS (Table 2). In the age- and sex-adjusted model, the highest quartile of Lp(a) level was associated with a lower risk of MetS, when compared with the lowest quartile (OR...
A growing body of work suggests that the material properties of biomolecular condensates ensuing from liquid–liquid phase separation change with time. How this aging process is controlled and whether the condensates with distinct material properties can
a, The structure of 1 was optimized at the B3LYP/6-31G(d) level of theory, whereby the butoxy groups were replaced by methoxy groups. b, Aromatic region of the 1H NMR spectra of 1 in 1,1,2,2-tetrachloroethane-d2 at 25 °C and at 140 °C. c, Snapshots of the DFTB-MD si...
Modeling the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopy of X-SnO3 (X= Ag, Cs, Hf) perovskites Comput. Theor. Chem., 1220 (2023), p. 114003 View PDFView articleView in ScopusGoogle Scholar [19] H. Shu, X. Liu Tuning electronic and optical properties...
In summary, this paper compared the WDD material reference and its commercial prescriptions based on UPLC-QTOF-MS and multivariate statistical analysis. The quality of most WDD commercial prescriptions was unstable and significantly different from the WDD material reference, which could impact the ...
Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geometric Deep Learning for Chemical Reactions", J. Chem. Inf. Model. 2024, 64, 5771−5785 - GitHub - lcmd-epfl/EquiReac
Constructive and thorough reviews for the journal by three anonymous reviewers, as well as valuable suggestions by the Associate Editor I. Safonova and the Editorial Advisor M. Santosh have helped us improve the science and organization presented in the paper....
The rate of the current injected by the electrodes will be greatly limited when a donor materials with deep highest occupied molecular orbital (HOMO) level and an acceptor materials with a shallow lowest unoccupied molecular orbital (LUMO) level was selected, respectively. Meanwhile, the use of ...
Green hydrogen produced by water splitting using renewable electricity is essential to achieve net-zero carbon emissions. Present water electrolysis technologies are uncompetitive with low-cost grey hydrogen produced from fossil fuels, limiting their sca
2 in the main paper) into the steps D-energy (both demand & supply), D-food (nutrition & land use), E (global equity) and F (national redistribution). This decomposition highlights the effect of the individual interventions on the respective SDG indicator. Note that the interventions are ...