Electronic Spectroscopy of the Halogenated Criegee Intermediate, ClCHOO: Experiment and Theory.

A chlorine-substituted Criegee intermediate, ClCHOO, is photolytically generated using a diiodo precursor, detected by VUV photoionization at 118 nm, and spectroscopically characterized via ultraviolet-visible (UV-vis)-induced depletion of / = 80 under jet cooled conditions. UV-vis excitation resonant with a π* ← π transition yields a significant ground state depletion, indicating a strong electronic transition and rapid photodissociation. The broad absorption spectrum peaks at 350 nm and is attributed to contributions from both (∼70%) and (∼30%) conformers of ClCHOO based on spectral simulations using a nuclear ensemble method.

Towards valorization of glycerol and molasses: Carbon-based catalysts from molasses for the synthesis of acetins.

Crude sugarcane molasses (SCM) was successfully applied for the first time as a bio-feedstock for producing biochar catalysts for glycerol upgrading. Preparation methods were developed, including partial or hydrothermal carbonization (abbr. PC and HTC) and chemical activation.

Crystal structure of nickel orthovanadate (NiVO) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.

Nickel orthovanadate is a promising material with potential applications in energy storage and photocatalytic devices. The crystal structure of NiVO at 299 (3) K and 1323 (8) K was studied using X-ray powder diffraction. The sample was a single-phase orthorhombic kagome-staircase-Ni(VO)-type structure (space group Cmca) at both temperatures.

Impact of Hypertension and Physical Exercise on Hemolysis Risk in the Left Coronary Artery: A Computational Fluid Dynamics Analysis.

: Hypertension increases the risk of developing atherosclerosis and arterial stiffness, with secondarily enhanced wall stress pressure that damages the artery wall. The coexistence of atherosclerosis and hypertension leads to artery stenosis and microvascular angiopathies, during which the intravascular mechanical hemolysis of red blood cells (RBCs) occurs, leading to increased platelet activation, dysfunction of the endothelium and smooth muscle cells due to a decrease in nitric oxide, and the direct harmful effects of hemoglobin and iron released from the red blood cells. This study analyzed the impact of hypertension and physical exercise on the risk of hemolysis in the left coronary artery.

Infrared Fingerprint and Unimolecular Decay Dynamics of the Hydroperoxyalkyl Intermediate (•QOOH) in Cyclopentane Oxidation.

A transient carbon-centered hydroperoxyalkyl intermediate (•QOOH) in the oxidation of cyclopentane is identified by IR action spectroscopy with time-resolved unimolecular decay to hydroxyl (OH) radical products that are detected by UV laser-induced fluorescence. Two nearly degenerate •QOOH isomers, β- and γ-QOOH, are generated by H atom abstraction of the cyclopentyl hydroperoxide precursor. Fundamental and first overtone OH stretch transitions and combination bands of •QOOH are observed and compared with anharmonic frequencies computed by second-order vibrational perturbation theory.