Results 111 to 120 of about 2,084 (185)

Synthesis of a π‐Extended Phenazine Diimide Derivative and Characterization of Its Closed‐Shell Reduced States

Chemistry – A European Journal, EarlyView.
In this work, the synthesis and characterization of novel π‐extended phenazine diimides is reported. The derivatives undergo differential reduction to a dihydrophenazine or Meisenheimer form depending on the reaction conditions employed. The outcome of this work highlights the paramount importance of structural design in determining the nature of the ...
Francesco Rigodanza, Beatrice Bartolomei, Ilaria Crea, Paolo Costa, Nicola Demitri, Marcella Bonchio, Maurizio Prato, Jacopo Dosso   +7 more
wiley   +1 more source

Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches

Chemistry – A European Journal, EarlyView.
Raw uncertainty estimates from deep evidential regression and deep ensembles are systematically miscalibrated. Post hoc calibration aligns predicted uncertainty with true errors, improving reliability and enabling efficient active learning and reducing computational cost while preserving predictive accuracy.
Bidhan Chandra Garain, Max Pinheiro Jr., Matheus de Oliveira Bispo, Mario Barbatti   +3 more
wiley   +1 more source

Measuring provider-level differences in perioperative workflow using computer vision-based artificial intelligence. [PDF]

BMJ Health Care Inform
Loo T, Mcglennen B, Incavo S, Hilger N.
europepmc   +1 more source

WSPLK: A systematic approach to the thermodynamic characterization of light and heavy Mexican crude oil

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract A streamlined characterization framework (WSPLK) is presented for modelling complex reservoir fluids using cubic equations of state. The key methodological contribution is the introduction of a single global parameter ε directly into Pedersen's boiling‐point correlation, restoring pure‐component calibration and eliminating the need for ...
Angélica Merlo‐Robredo, Heber Barragán‐Mayet, Lourdes Mayet‐Cruz, José Fernando Barragán‐Aroche   +3 more
wiley   +1 more source

DFT Benchmarking for [Fe^II]‑(Alkyl/Alkylidene/Acetylide) Complexes. [PDF]

ACS Omega
da Silva LS, Soares FS, de Souza AA, Sá É.   +3 more
europepmc   +1 more source

Performance comparison of pressure swing adsorption and amine‐based absorption for synthesis gas purification

The Canadian Journal of Chemical Engineering, EarlyView.
Comparison of PSA and amine‐based absorption for syngas purification shows that PSA offers lower energy intensity, global warming potential, and minimum selling price, making it a more sustainable option. However, absorption achieves higher syngas purity. A GREENSCOPE‐based multi‐criteria assessment guides optimal process selection.
Magno Fonseca Santos, Antonio Esio Bresciani, Rita Maria Brito Alves   +2 more
wiley   +1 more source

Quantification of the aperture modulation in radiotherapy treatment plans. [PDF]

Med Phys
Hernandez V, Lara-Aristimuño I, Abella R, Saez J.   +3 more
europepmc   +1 more source

Existence of Full Replica Symmetry Breaking for the Sherrington–Kirkpatrick Model at Low Temperature

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We verify the existence of full replica symmetry breaking (FRSB) for the Sherrington–Kirkpatrick (SK) model and determine the structure of its Parisi measure slightly beyond the high temperature regime. More specifically, we prove that the support of the Parisi measure for the SK model consists of an interval starting at the origin slightly ...
Yuxin Zhou
wiley   +1 more source

Editorial: The state of the art of person-centered healthcare: global perspectives. [PDF]

Front Health Serv
Tyagi V, McCance T, Rutherford C, McCormack B.   +3 more
europepmc   +1 more source

Emulating Six Cardiovascular Outcome Trials of Antidiabetic Drugs in Individuals with Type 2 Diabetes: Analyses Based on Real‐World Databases from Korea and Taiwan

Clinical Pharmacology &Therapeutics, EarlyView.
With the increasing volume of clinical evidence derived from large‐scale Asian real‐world data (RWD) and the growing interest in its use in regulatory decision‐making, it is important to conduct benchmarking exercises that evaluate whether studies using Asian RWD can generate similar conclusions as randomized controlled trials (RCTs).
Hwa Yeon Ko, Philip C. M. Au, Michael Chun‐Yuan Cheng, Ching‐Lung Cheung, Ahhyung Choi, Miyuki Hsing‐Chun Hsieh, Han Eol Jeong, Edward Chia‐Cheng Lai, Brian Meng‐Hsun Li, Kenneth K. C. Man, Jeremy A. Rassen, Daniel Hsiang‐Te Tsai, Shirley V. Wang, Ian C. K. Wong, Ju‐Young Shin, Sohee Park   +15 more
wiley   +1 more source