Strong ion difference

BACKGROUND: Short-term acid-base effects of 0.9% saline solution infusion are not well described. Aim of this study was to assess the effects of a fluid challenge with 0.9% saline in critically ill patients according to the Stewart's approach, which allows a precise determination of acid base equilibrium. METHODS: In 40 mechanically ventilated critically ill patients, acid-base variables according to Stewart's approach were measured before and after 30 minutes from the infusion of 0...

Ion receptors are molecular hosts that bind ionic guests, often with great selectivity. The interplay of solvation and ion binding in anion host-guest complexes in solution governs the binding efficiency and selectivity of such ion receptors. To gain molecular-level insight into the intrinsic binding properties of octamethyl calix[4]pyrrole (omC4P) host molecules with halide guest ions, we performed cryogenic ion vibrational spectroscopy (CIVS) of omC4P in complexes with fluoride, chloride, and bromide ions...

The sinking of alkali cations in superfluid 4He nanodroplets is investigated theoretically using liquid 4He time-dependent density functional theory at zero temperature. The simulations illustrate the dynamics of the buildup of the first solvation shell around the ions. The number of helium atoms in this shell is found to linearly increase with time during the first stages of the dynamics. This points to a Poissonian capture process, as concluded in the work of Albrechtsen et al. on the primary steps of Na+ solvation in helium droplets [Albrechtsen et al...

Recently, pyrrole cages have been synthesized that encapsulate ion pairs and silver(I) clusters to form intricate supramolecular capsules. We report here a computational analysis of these structures using density functional theory combined with a semiempirical tight-binding approach. We find that for neutral pyrrole cages, the Gibbs free energies of formation provide reliable predictions for the ratio of bound ions. For charged pyrrole cages, we find strong argentophilic interactions between Ag ions on the basis of the calculated bond indices and molecular orbitals...

Some tricyclic antidepressants (TCAs), including amitriptyline (ATL), clomipramine (CLO), and desipramine (DES), are known to be effective for management of neuropathic pain. It was previously determined that ATL, CLO, and DES are capable of voltage-dependent blocking of NMDA receptors of glutamate (NMDAR), which play a key role in pathogenesis of neuropathic pain. Despite the similar structure of ATL, CLO, and DES, efficacy of their interaction with NMDAR varies significantly. In the study presented here, we applied molecular modeling methods to investigate the mechanism of binding of ATL, CLO, and DES to NMDAR and to identify structural features of the drugs that determine their inhibitory activity against NMDAR...

Multilayer neutron optics require precise control of interface morphology for optimal performance. In this work, we investigate the effects of different growth conditions on the interface morphology of Ni/Ti-based multilayers, with a focus on incorporating low-neutron-absorbing 11 B4 C and using different ion assistance schemes. Grazing-incidence small-angle X-ray scattering was used to probe the structural and morphological details of buried interfaces, revealing that the layers become more strongly correlated and the interfaces form mounds with increasing amounts of 11 B4 C...

In transdermal drug delivery system (TDDS) patches, achieving prolonged adhesion, high drug loading, and rapid drug release simultaneously presented a significant challenge. In this study, a PHT-SP-Cu2+ adhesive was synthesized using polyethylene glycol (PEG), hexamethylene diisocyanate (HDI), trimethylolpropane (TMP), and silk protein (SP) as functional monomers which were combined with Cu2+ to improve the adhesion, drug loading, and drug release of the patch. The structure of the adhesion chains and the formation of Cu2+ -p-π conjugated network in PHT-SP-Cu2+ were characterized and elucidated using different characterization methods including FT-IR, 13 C NMR, XPS, SEM imaging and thermodynamic evaluation...

We present herein the synthesis, characterization and complexation of ferrocenyl-substituted MIIs (mesoionic imines) and their metal complexes. In the free MIIs, strong hydrogen bonding interactions are observed between the imine-N and the C-H bonds of the ferrocenyl substituents both in the solid state and in solution. The influence of this hydrogen bonding is so strong that complexation of the MIIs with [IrCp*Cl2]2 yields unique six-membered iridacycles via C-H-activation of the corresponding C-H-site at the Fc-substituent and not the Ph-substituent...

In this study, we explore the superchaotropic effect of various polyoxometalate or boron cluster nano-ions on hydrophilic neutral surfaces. Nano-ions, characterized by low charge densities, exhibit strong adsorption on non-ionic hydrophilic surfaces like PEGylated micelles. This adsorption phenomenon was attributed to the enthalpically favorable dehydration of nano-ions, the so-called superchaotropic effect. Here, we investigate the adsorption of three nano-ions, α-SiW12 O40 4- , α-PW12 O40 3- , and B12 I12 2- , with decreasing charge density or increasing superchaotropicity (or hydrophobicity), on hydrophilic solid surfaces, PEGylated gold nanoparticles, and PEGylated gold-coated quartz crystal...

Per- and polyfluoroalkyl substances (PFAS) remain controversial due to their high persistency and potential human toxicity. Although occupational exposure to PFAS has been widely investigated, the implications of PFAS occurrence in the general population remain to be unraveled. Considering that serum from most people contains PFAS, the aim of this study was to characterize the lipidomic profile in human serum from a general cohort (n = 40) with residual PFAS levels. The geometric means of ∑PFAS (11...

Non-targeted analysis of high-resolution mass spectrometry (MS) can identify thousands of compounds, which also gives a huge challenge to their quantification. The aim of this study is to investigate the impact of mass spectrometry ionization efficiency on various compounds in food at different solvent ratios and to develop a predictive model for mass spectrometry ionization efficiency to enable non-targeted quantitative prediction of unknown compounds. This study covered 70 compounds in 14 different mobile phase ratio environments in positive ion mode to analyze the rules of the matrix effect...

To explore the content and variation characteristics of water-soluble ions of atmospheric fine particles (PM2.5 ) in a Beijing urban area and put forward the pollution prevention and control scheme, the water-soluble ions, gaseous precursors (SO2 , NO2 ), and meteorological factors (temperature, RH) of PM2.5 in 2022 were analyzed and determined. The results showed that the water-soluble ions with the highest proportion in PM2.5 in the Beijing City urban area were NO3 - , NH4 + , and SO4 2- , accounting for 52...

Two heterometallic Cu(II)/Ni(II) coordination polymers, [Cu2 (Hbdea)2 Ni(CN)4 ] n ( 1 ) and [Cu2 (dmea)2 Ni(CN)4 ] n · n H2 O ( 2 ), were successfully self-assembled in water by reacting Cu(II) nitrate with H2 bdea ( N -butyldiethanolamine) and Hdmea ( N , N -dimethylethanolamine) in the presence of sodium hydroxide and [Ni(CN)4 ]2- . These new coordination polymers were investigated by single-crystal and powder X-ray diffraction and fully characterized by FT-IR spectroscopy, thermogravimetry, elemental analysis, variable-temperature magnetic susceptibility measurements, and theoretical DFT and CASSCF calculations...

Seawater intrusion into freshwater wetlands causes changes in microbial communities and biogeochemistry, but the exact mechanisms driving these changes remain unclear. Here we use a manipulative laboratory microcosm experiment, combined with DNA sequencing and biogeochemical measurements, to tease apart the effects of sulfate from other seawater ions. We examined changes in microbial taxonomy and function as well as emissions of carbon dioxide, methane, and nitrous oxide in response to changes in ion concentrations...

Charge-transfer excitations are of paramount importance for understanding the electronic structure of copper-oxide based high-temperature superconductors. In this study, we investigate the response of a Bi <mml:math xmlns:mml="https://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow/> <mml:mn>2</mml:mn></mml:msub> </mml:math> Sr <mml:math xmlns:mml="https://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow/> <mml:mn>2</mml:mn></mml:msub> </mml:math> CaCu <mml:math xmlns:mml="https://www...

This paper analyses the formation of high Sr2+ concentration in strong alkaline (pH = 9.5-12.5) groundwater using data of the 27 years of observations around the destroyed Chernobyl NPP Unit 4. It appears that the formation of strong alkaline groundwater in different monitoring wells is consistent with the distribution of 90 Sr, pH and main ions. The reason for the increase in 90 Sr concentrations is the process of its migration from the sources of contamination - leaks of highly active water localized in certain premises inside the «Shelter » object...

ConspectusVesicles are self-assembled structures comprised of a membrane-like exterior surrounding a hollow lumen with applications in drug delivery, artificial cells, and micro-bioreactors. Lipid or polymer vesicles are the most common and are made of lipids or polymers, respectively. They are highly useful structures for many applications but it can be challenging to decorate them with proteins or encapsulate proteins in them, owing to the use of organic solvent in their formation and the large size of proteins relative to lipid or polymer molecules...

Combining the phosphonic acid group with the sulfonic acid group in PEMs has been shown to be an effective strategy for improving the fuel cell performance. However, the interplay of two different ionic groups and the resulting effect on the membrane properties have not been fully elucidated. Here, we used classical molecular dynamics simulation to investigate the morphologies, transport properties and effects of ionic groups in a novel perfluorinated PEM containing two ionic groups (PFSA-PFPA) in comparison to the corresponding homopolymers...

BACKGROUND/PURPOSE: Iontophoresis could enhance the delivery of chlorhexidine into oral tissue. This study aimed to determine the effect of 2% chlorhexidine iontophoresis (CHI) on the sealing ability of etch-and-rinse adhesive in human dentin using hydraulic conductance (HD) measurement, scanning electron microscopy and energy dispersive x-ray spectroscopy (SEM-EDS). MATERIALS AND METHODS: Thirty-nine sound dentin specimens were prepared from 39 extracted intact third molars...

The common phenomenon observed for concrete in aggressive water is leaching, which involves the dissolution of cement hydration products. Many studies have focused on leaching in demineralised water or acid attacks, but mineral water still deserves further investigation. In most standards, the aggressiveness of a given water body is determined by its pH and not its composition. The effect of the calcium content of the water on degradation is yet to be determined. In this paper, the leaching of Portland cement-based mortar was induced by two types of drinking water with different calcium contents and buffer capacity in controlled conditions...