We developed a web application structured in a machine learning and molecular fingerprint
algorithm for the automatic calculation of the reaction rate constant of the oxidative …

The photochemical behavior of venlafaxine (VNX) in surface water was investigated using a
hybrid theoretical-experimental-kinetic modeling approach. In addition to the direct …

Pesticides are chemical compounds widely used to combat pests in crops, and they thus
play a key role in agricultural production. However, due to their persistence in aquatic …

Recent studies have found that hydroxide elimination and the CC bond formation step in
base-promoted aldol condensation have a strong influence on the overall rate of the …

A variety of current experiments and molecular dynamics computations are expanding our
understanding of rate processes occurring in extreme environments, especially at low …

Fourier transform ion cyclotron resonance mass spectrometers (FT-ICR MS) play a major
role due to their capability to provide information at the molecular level of complex samples …

In vitro relative cytotoxicity (IC50 (IIb)/IC50 (IIIb) of (E)-3-(4′-methylbenzylidene)-4-
chromanone (IIIb) towards human Molt 4/C8 and CEM T-lymphocytes showed a> 50-fold …

The efforts of contrasting the effects caused by the COVID-19 (coronavirus disease 2019)
pandemic increased the disposal of active pharmaceutical ingredients. This paper reports …

Seeing its simplicity of processing, the system of two coupled harmonic oscillators have
witnessed a quick growth of research conducted to quantum information. This approach is …

Sulfoxaflor is one of the widely used insecticides in agricultural lands to protect crops from
insects. Due to its persistent nature, sulfoxaflor is identified as an environmental pollutant. In …