The choline ion (Ch) is ubiquitous in nature and also its synthetic homologue, chlorocholine (ClCh), is widely used. Nevertheless, surprisingly little information on the hydration and counter-ion binding of these cations can be found in the literature. In this contribution we report effective hydration numbers, determined by dielectric relaxation spectroscopy, and ion-pair association constants with Cl, determined by dilute-solution conductivity measurements. In combination with RISM calculations the obtained data suggest that for Ch water is bound to the hydroxy group via hydrogen bonds whereas for ClCh a rather stiff clathrate-like shell around the chlorine atom seems to be formed. With Cl both cations form contact ion pairs with association constants of only ∼2 to 3 M.
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http://dx.doi.org/10.1039/c9cp01016e | DOI Listing |
J Orthop Traumatol
January 2025
Department of Orthopaedic Trauma, Hong Hui Hospital, Xi'an Jiaotong University School of Medicine, Xi'an, 710054, Shaanxi, China.
Background: Clavicle fractures associated with ipsilateral coracoid process fractures are very rare, with limited literature reporting only a few cases. This study reports on 27 patients with ipsilateral concomitant fractures of the clavicle and coracoid process who were followed for more than 12 months.
Material And Methods: This retrospective study reviewed the charts of skeletally mature patients with traumatic ipsilateral clavicle and coracoid process fractures treated at the authors' institution.
J Chem Theory Comput
January 2025
Laboratoire ICB, UMR-6303 CNRS/uB, Université de Bourgogne, 9 avenue Alain Savary, 21078 Cedex Dijon, France.
We report full quantum-computed average microcanonical, initial state-specific, and canonical cumulative time-delays associated with the O + O scattering, presented as a function of total energy (in relation to an idealized molecular beam experiment) or temperature (for the properties of the gas phase in bulk conditions). We show that these quantities are well-defined and computable, with a temperature-dependent (canonical) time-delay presenting a smooth, monotonic decreasing behavior with temperature, despite an energy-dependent (microcanonical) time-delay of apparent chaotic character. We discuss differences in behavior when considering isotopic variations, O + OO and O + OO, with respect to the reference process O + OO and reveal a greater magnitude of the cumulative time-delay when genuinely reactive events can take place, in the presence of O.
View Article and Find Full Text PDFSci Total Environ
January 2025
Key Laboratory for City Cluster Environmental Safety and Green Development of the Ministry of Education, Institute of Environmental and Ecological Engineering, Guangdong University of Technology, Guangzhou, 510006, China; Guangdong Basic Research Center of Excellence for Ecological Security and Green Development, Guangzhou, 510000, China.
OH-mediated advanced oxidation processes (AOPs) are widely used in wastewater treatment and drinking water purification. Recently, an increasing number of studies have indicated that common inorganic nitrogen ions can efficiently generate •OH under UV irradiation, demonstrating strong performance in the degradation of various contaminants. Conversely, the presence of inorganic nitrogen ions in UV or other oxidation processes dramatically increases the yield of toxic nitro (so)-aromatic products and the formation potential of nitrogenous disinfection by-products with high genotoxicity and cytotoxicity.
View Article and Find Full Text PDFHealth Place
January 2025
ISGlobal, Barcelona Biomedical Research Park (PRBB), C/ Doctor Aiguader 88, 08003, Barcelona, Spain; Universitat Pompeu Fabra (UPF), C/ Doctor Aiguader 80, 08003, Barcelona, Spain; CIBER Epidemiología y Salud Pública (CIBERESP), Instituto de Salud Carlos III, c/ Monforte de Lemos 3-5, 28029, Madrid, Spain. Electronic address:
Health implications of mobility during pregnancy entail a need to understand pregnant women's activity spaces. We present ActMAP, a framework for quantifying multiple aspects of activity spaces from distinct trips and stays derived from GPS data. We applied ActMAP to data from 238 pregnant women in Barcelona, Spain (2018-2020) and explored weekday, weekend and intraday associations between pregnancy trimester and activity spaces.
View Article and Find Full Text PDFFood Chem
January 2025
School of Agricultural Engineering and Food Science, Shandong University of Technology, No. 266 Xincun Xilu, Zibo, Shandong 255049, China.
This study evaluated the effects of malic acid vacuum microwave preconditioning (MVMP) on lotus root (LR) by examining its moisture content, dielectric properties, microstructure, and starch characteristics, including modifications in starch structure and composition. Dielectric properties and LF-NMR indicated that the dielectric constant (ε') was closely associated to moisture content and state, while changes in water migration depended on microwave power and the dielectric loss factor (ε″). Increased microwave power and malic acid concentration resulted in microstructural damage (indentation and breakage of starch granules) and starch hydrolysis into smaller particles.
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