Results 211 to 220 of about 62,514 (258)

Phosphate starvation induces root cell-type-specific transcriptional responses and alternative splicing. [PDF]

open access: yesNew Phytol
González-García MP   +11 more
europepmc   +1 more source

Design Principles for Next Generation of Small Organic Molecules for Photodynamics Therapy Revealed by Nonadiabatic Molecular Dynamics

open access: yesChemistry – A European Journal, EarlyView.
Molecular design reshapes the landscape of excited‐state relaxation. Nonadiabatic dynamics reveal how electronic structure guides population flow between competing pathways beyond static energetic arguments. ABSTRACT Nitrobenzochalcogenadiazole derivatives are emerging candidates for photodynamic therapy (PDT), yet the precise mechanisms governing ...
Vinícius N. da Rocha   +2 more
wiley   +1 more source

AutoVap: An Interactive Machine Learning Tool for Predicting the Standard Enthalpy of Vaporization

open access: yesChemie Ingenieur Technik, EarlyView.
AutoVap (https://autovap.jfcaetano.com) is a web app that predicts ΔvapHm° from SMILES using an RDKit‐based ML model, giving accurate, interpretable results with uncertainty across diverse molecules. ABSTRACT This communication introduces AutoVap (https://autovap.jfcaetano.com), an interactive web application for predicting the standard molar enthalpy ...
José Ferraz‐Caetano
wiley   +1 more source

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

open access: yesThe 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   +3 more
wiley   +1 more source

Precipitation of niobic acid from potassium niobate in sulphuric acid solution: A route to niobium oxide

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Graphical abstract illustrating the niobic acid precipitation process applied and the product obtained. Abstract This study investigates the precipitation of niobic acid (Nb2O5.nH2O) from potassium niobate solution with addition of sulphuric acid, and its subsequent thermal conversion into niobium oxide (Nb2O5). Thermodynamic modelling with PHREEQC and
Cássia R. Souza   +4 more
wiley   +1 more source

Integrated PM-MOX-Thermal Sensing for Monitoring Bioaerosol Dynamics in Controlled Indoor Environments. [PDF]

open access: yesSensors (Basel)
Barbosa MI   +6 more
europepmc   +1 more source

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