Liming is widely used to counteract chronic toxicity of positively charged monomeric aluminium species (Ali). Immediately after liming, unstable mixing zones are formed due to the sudden increase in pH. Transformation of monomeric Ali species takes place instantaneously and transient positively charged Al polymers, being acute toxic to fish, are formed in the mixing zones. Using in situ hollow fibre ultrafiltration interfaced with ion chromatography in unstable mixing zone field experiments performed in two river systems situated south and southwest of Norway, information on time-dependent transformations of low molecular mass (LMM) and high molecular mass (HMM) positively charged Ali-species has been followed. The formation of HMM Ali species from LMM Ali occurred rapidly following liming. HMM Ali species have a certain lifetime and are transformed to high molecular mass neutral Al-species (HMM Alo) and then to non-reactive colloidal Al species (HMM Alc). Concentration levels of transient Al-species formed in the mixing zone and the rate of transformation depend on the concentrations of LMM Ali species, Al complexing ligands (DOC and Si) in the input water and on pH in the mixing zone after liming. A dynamic model describing transformation processes influencing the Al speciation in mixing zones following a sudden increase in pH is suggested. Based on the experimental results, associated rate constants and half-lives for transient Al-species were estimated.
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http://dx.doi.org/10.1016/j.scitotenv.2004.03.040 | DOI Listing |
J Am Chem Soc
January 2025
Department of Chemistry, Brandeis University, 415 South St., Waltham, Massachusetts 02454, United States.
Despite their critical role in context-dependent interactions for protein functions, intrinsically disordered regions (IDRs) are often overlooked for designing peptide assemblies. Here, we exploit IDRs to enable context-dependent heterotypic assemblies of intrinsically disordered peptides, where "context-dependent" refers to assembly behavior driven by interactions with other molecules. By attaching an aromatic segment to oppositely charged intrinsically disordered peptides, we achieve a nanofiber formation.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Texas at El Paso, El Paso, Texas 79968, United States.
In this work, we describe a computational tool designed to determine the local dielectric constants (ε) of charge-neutral heterogeneous systems by analyzing dipole moment fluctuations from molecular dynamics (MD) trajectories. Unlike conventional methods, our tool can calculate dielectric constants for dynamically evolving selections of molecules within a defined region of space, rather than for fixed sets of molecules. We validated our approach by computing the dielectric constants of TIP3P water nanospheres, achieving results consistent with literature values for bulk water.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
School of the Chemical Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.
The folding of the guanine repetitive region in the telomere unit into G-quadruplex (G4) by drugs has been suggested as an alternative approach for cancer therapy. Hydroxychloroquine (HCQ) and chloroquine (CQ) are two important drugs in the trial stage for cancer. Both drugs can induce the folding of telomere-guanine-rich sequences into G4 even in the absence of salt.
View Article and Find Full Text PDFBackground: Due to its increasing prevalence and suboptimal treatment, non-tuberculous mycobacterial (NTM) infection is an emerging problem in patients with cystic fibrosis (CF). Detailed description of regional NTM prevalence and distribution, and identification of predictors of NTM acquisition in CF are essential to optimise treatment and surveillance guidelines.
Methods: A retrospective, multi-center analysis was conducted between the years 2020 and 2022 on data from 232 adult patients registered in the Hungarian CF Registry in 2022.
Nanoscale
January 2025
Department of Chemistry, Shahid Beheshti University, G. C., 1983963113, Evin, Tehran, Iran.
Metal tellurides, known for their superior electrical conductivity and excellent electrochemical properties, are promising candidates for supercapacitor applications. This study introduces a novel method involving a metal-organic framework hybrid to synthesize CoTe@CoFeTe double-shelled nanocubes. Initially, zeolitic imidazolate framework-67 (ZIF67) and CoFe Prussian blue analog (PBA) nanocubes are synthesized through an anion-exchange reaction with [Fe(CN)] ions.
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