Comparison of nanoLC-MALDI-MS/MS with nanoLC-TIMS-MS/MS in the proteomic analysis of extracellular vesicles of bronchoalveolar lavage fluid.

The study aims to evaluate and compare two advanced proteomic techniques, nanoLC-MALDI-MS/MS and nanoLC-TIMS-MS/MS, in characterizing extracellular vesicles (EVs) from the bronchoalveolar lavage fluid (BALF) of patients with asthma and idiopathic pulmonary fibrosis (IPF). Pulmonary diseases, driven by pollutants and infections, often necessitate detailed analysis of BALF to identify diagnostic biomarkers and therapeutic targets. EVs, which include exosomes, microvesicles, and apoptotic bodies, are isolated using filtration and ultracentrifugation, and their morphology, concentration, and size distribution are assessed through transmission electron microscopy (TEM) and nanoparticle tracking analysis (NTA).

Raman, ROA, and luminescence spectra of chiral lanthanide complexes with L- and D-alanine.

The Raman spectra of lanthanide [Ln(HO)(Ala)](ClO) crystals were measured with 488, 532, 633, and 1064 nm laser lines, and ROA of complexes in water were collected using 532 nm excitation. As in IR and VCD, ν(CO) stretching and β(OCO) bending vibration bands showed a tendency typical to the lanthanide contraction effect. However, in Raman, the effect is less pronounced than the IR spectrum because it is strongly perturbed by lanthanide ion luminescence, which comes from the 4f → 4f transitions.

Neutral and ionic Co(II) metal-organic frameworks with 2-methylimidazole and trimesate: design and evaluation for molecule encapsulation and slow release.

Two Co(II) mixed-ligand metal-organic frameworks (MOFs) based on 2-methylimidazole and trimesate were synthesised at room temperature. The structure and properties of the two MOFs, named material Deutsches Elektronen Synchrotron-1 and -2 (mDESY-1 and mDESY-2), were verified by single crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), SQUID magnetic susceptibility and N adsorption. The structural analysis indicates that mDESY-1 is a 3D ionic framework with 2-methyl-1-imidazol-3-ium counterions residing in its pores, while mDESY-2 is a 2D neutral framework isostructural to ITH-1, with water as a co-crystallising solvent.

Structural and dynamical investigation of glassforming smectogen by X-ray diffraction and infra-red spectroscopy aided by density functional theory calculations.

Molecular arrangement in the chiral smectic phases of the glassforming (S)-4'-(1-methylheptylcarbonyl)biphenyl-4-yl 4-[7-(2,2,3,3,4,4,4-heptafluorobutoxy) heptyl-1-oxy]benzoate is investigated by X-ray diffraction. An increased correlation length of the positional short-range order in the supercooled state agrees with the previous assumption of the hexatic smectic phase. However, the registered X-ray diffraction patterns are not typical for the hexatic phases.

New Hydrazone Derivatives Based on Pyrazolopyridothiazine Core as Cytotoxic Agents to Colon Cancers: Design, Synthesis, Biological Evaluation, and Molecular Modeling.

In this research, a series of novel hydrazone derivatives based on pyrazolopyridothiazinylacetohydrazide were designed, synthesized, and evaluated for their in vitro cytotoxic potency on several human colon cancer cells (HTC116, HT-29, and LoVo). After MTT and SRB assays four of the most active derivatives: hydrazide GH and hydrazones GH7, GH8, and GH11, were chosen for further investigation. Hydrazone GH11 had the highest cytotoxic activity (IC values of c.

Liposomal Formulation of an Organogold Complex Enhancing Its Activity as Antimelanoma Agent-In Vitro and In Vivo Studies.

The therapeutic management of melanoma, the most aggressive form of skin cancer, remains challenging. In the search for more effective therapeutic options, metal-based complexes are being investigated for their anticancer properties. Cisplatin was the first clinically approved platinum-based drug and, based on its success, other metals (e.

Nutritional Risks of Heavy Metals in the Human Diet-Multi-Elemental Analysis of Energy Drinks.

In recent years, the consumption of energy drinks (EDs) by adolescents and young adults has increased significantly, so concerns have been raised about the potential health risks associated with excessive ED consumption. Most analyses on EDs focus on the caffeine content. Research on the content of minerals (essential and toxic) in energy drinks can be considered scarce.

A Study of the Structure of an Anion Exchange Resin with a Quaternary Ammonium Functional Group by Using Infrared Spectroscopy and DFT Calculations.

The large numbers of ion exchange resins used in various industries (food, pharmaceutitics, mining, hydrometallurgy), and especially in water treatment, are based on cross-linked polystyrene and divinylbenzene copolymers with functional groups capable of ion exchange. Their advantage, which makes them environmentally friendly, is the possibility of their regeneration and reuse. Taking into account the wide application of these materials, styrene-divinylbenzene resin with a quaternary ammonium functional group, AmberliteIRA402, was characterized using a well-known and widely used method, FT-IR spectroscopy.

Assessing endothelial cytotoxicity induced by tyrosine kinase inhibitors: insights from Raman and fluorescence imaging.

Since their approval, tyrosine kinase inhibitors (TKIs) have been widely used in antitumor therapy for chronic myeloblastic leukemia. Despite being approved by the FDA in 2001 to treat a rare cancer called chronic myeloid leukemia (CML), imatinib and other TKIs remain subjects of research for several reasons, such as their long-term effects, resistance, or molecular mechanisms. This study uses Raman and fluorescence imaging to investigate the cytotoxic effects of two TKIs, imatinib and dasatinib, on human aortic endothelial cells (HAECs).

Controlling enzyme activity by mutagenesis and metal exchange to obtain crystal structures of stable substrate complexes of Class 3 l-asparaginase.

Rhizobium etli is a nitrogen-fixing bacterium that encodes two l-asparaginases. The structure of the inducible R. etli asparaginase ReAV has been recently determined to reveal a protein with no similarity to known enzymes with l-asparaginase activity, but showing a curious resemblance to glutaminases and β-lactamases.

Description of changes in chemical bonding along the pathways of chemical reactions by deformation of the molecular electrostatic potential.

Context: The analysis of the changes in the electronic structure along intrinsic reaction coordinate (IRC) paths for model reactions: (i) ethylene + butadiene cycloaddition, (ii) prototype SN2 reaction Cl + CH3Cl, (iii) HCN/CNH isomerization assisted by water, (iv) CO + HF → C(O)HF was performed, in terms of changes in the deformation density (Δr) and the deformation of MEP (ΔMEP). The main goal was to further examine the utility of the ΔMEP as a descriptor of chemical bonding, and to compare the pictures resulting from Δr and ΔMEP. Both approaches clearly show that the main changes in the electronic structure occur in the TS region.

Understanding the synergistic interaction between a 1,3,4-thiadiazole derivative and amphotericin B using spectroscopic and theoretical studies.

We present a comprehensive spectroscopic study supported by theoretical quantum chemical calculations conducted on a molecular system (4-(5-methyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol (C1) and the antibiotic Amphotericin B (AmB)) that exhibits highly synergistic properties. We previously reported the strong synergism of this molecular system and now wish to present related stationary measurements of UV-Vis absorption, fluorescence, and fluorescence anisotropy in a polar, aprotic solvent (DMSO and a PBS buffer), followed by time-resolved fluorescence intensity and anisotropy decay studies using different ratios of the selected 1,3,4-thiadiazole derivative to Amphotericin B. Absorption spectra measured for the system revealed discrepancies in terms of the shapes of absorption bands, particularly in PBS.

Exploring dihydropyrimidone derivatives as modulators of carbohydrate catabolic enzyme to mitigate diabetes.

Diabetes is a prevalent and serious metabolic disorder affecting millions globally, and it poses extensive health risks due to elevated blood glucose levels. One promising approach for managing diabetes is the inhibition of α-glucosidase, an enzyme that plays a crucial role in carbohydrate metabolism. Targeting α-glucosidase can help delay glucose absorption, thus controlling postprandial blood sugar spikes.

Dual-fluorescent starch biopolymer films containing 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine powder as a functional nanofiller.

Physical and photophysical properties of starch-based biopolymer films containing 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine (NTA) powder as a nanofiller were examined using atomic force microscopy (AFM), Fourier-transform infrared spectroscopy (FTIR), stationary UV-Vis and fluorescence spectroscopy as well as resonance light scattering (RLS) and time-resolved measurements, and where possible, analyzed with reference to pristine NTA solutions. AFM studies revealed that the addition of NTA into the starch biopolymer did not significantly affect surface roughness, with all examined films displaying similar Sq values ranging from 70.7 nm to 79.

Experimental and computational analysis of SnS encapsulated into carbonized chitosan as electrode material for potassium ion batteries.

Tin sulphide compounds (SnS, x = 1, 2) are potential anode materials for potassium-ion batteries (PIBs) due to their characteristic layered structure, high theoretical capacity, non-toxicity and low production cost. However, they suffer from significant volume changes resulting in poor performance of such anodes. In this work incorporation of SnS into the carbon structure was expected to overcome these disadvantages.

Gels in Heterogeneous Photocatalysis: Past, Present, and Future.

Photocatalysis has attracted more and more attention as a possible solution to environmental, water, and energy crises. Although some photocatalytic materials have already proven to perform well, there are still some problems that should be solved for the broad commercialization of photocatalysis-based technologies. Among them, cheap and easy recycling, as well as stability issues, should be addressed.

Chitosan-Based Nanocapsules as a Delivery System of Hydrophobic Carnosic Acid, A Model Neuroprotective Drug.

Introduction: Since the population of Europe is rapidly aging, the number of cases of neurodegenerative diseases sharply increases. One of the most significant limitations of current neurodegenerative disease treatment is the inefficient delivery of neuroprotective drugs to the affected part of the brain. One of the promising methods to improve the pharmacokinetic and pharmacodynamic properties of antioxidants is their encapsulation in nanocarriers.

Interactions Determining Stereoselectivity in Two-Dimensional Systems─The Case of 22-Hydroxycholesterol Epimers.

Oxidized derivatives of cholesterol play an important role in the functioning of biomembranes. Unlike other biomolecules, which are physiologically active in only one enantiomeric form, some oxysterols exist endogenously as two stereoisomers that exhibit strictly different biological effects. In this paper, we focused our attention on 22-hydroxycholesterol (22-OH) epimers, 22()-OH and 22()-OH, and examined their properties in Langmuir monolayers spread at the air/water interface, using classical surface manometry complemented with Brewster angle microscopy (BAM) images of the film texture.

One Change, Many Benefits: A Glycine-Modified Bacteriochlorin with NIR Absorption and a Type I Photochemical Mechanism for Versatile Photodynamic Therapy.

Difluorinated sulfonamide porphyrin (FPGly) and bacteriochlorin (FBGly), modified by glycine residues, were synthesized and evaluated for photodynamic therapy (PDT). F₂PGly exhibits superior stability and singlet oxygen generation efficiency but features a low-intensity band in the red range (λ = 639 nm). In contrast, FBGly shows a favorable, red-shifted absorption spectrum (λ = 746 nm) that aligns well with phototherapeutic window, facilitating deeper tissue penetration.

Soil Salinity Differentiates Winter Triticale Genotypes in Physiological and Biochemical Characteristics of Seedlings and Consequently Their Yield.

The aim of this study was to test the hypothesis that both the winter triticale genotype and salinity treatment influence the photosynthesis efficiency and content of metabolites and proteins, including antioxidant enzymes, under field conditions, as well as that these parameters are correlated with yielding capacity. The research material involved four genotypes differing in their tolerance to stress in previous tests. Chlorophyll fluorescence parameters and antioxidant activity were assessed in the seedlings.

Ruthenium Complexes with Pyridazine Carboxylic Acid: Synthesis, Characterization, and Anti-Biofilm Activity.

As a result of drug resistance, many antimicrobial medicines become ineffective, making the infections more difficult to treat. Therefore, there is a need to develop new compounds with antibacterial activity. This role may be played, for example, by metal complexes with carboxylic acids.

Water Sorption Properties and Hydrothermal Stability of Al-Containing Metal-Organic Frameworks CAU-10 and MIL-96 Studied Using Quasi-Equilibrated Thermodesorption.

A novel experimental technique, quasi-equilibrated temperature-programmed desorption and adsorption (QE-TPDA), was used to study the water sorption properties and hydrothermal stability of aluminum trimesate MIL-96 and aluminum isophthalate CAU-10, which have been selected due to their remarkable sorption properties. The QE-TPDA profiles of water observed for MIL-96 and CAU-10 confirmed the hydrophilic nature of these materials. Complex QE-TPDA profiles indicate that water sorption in MIL-96 follows a three-step pore filling mechanism.

Symmetry Breaking of Electronic Structure upon the π→π* Excitation in Anthranilic Acid Homodimer.

The main purpose of this study is to characterize the nature of the low-energy singlet excited states of the anthranilic acid homodimer (AA) and their changes (symmetry breaking) caused by deformation of the centrosymmetric, ground state structure of AA towards the geometry of the S state. We employ both the correlated ab initio methods (approximate Coupled Clusters Singles and Doubles-CC2 and CASSCF/NEVPT2) as well as the DFT/TDDFT calculations with two exchange-correlation functionals, i.e.

Polyelectrolytes Are Effective Cryoprotectants for Extracellular Vesicles.

Extracellular vesicles (EVs) have been widely recognized as a heterogeneous group of membrane-coated submicrometer particles released by different types of cells, including stem cells (SCs). Due to their ability to harbor and transfer bioactive cargo into the recipient cells, EVs have been reported as important paracrine factors involved in the regulation of a variety of biological processes. Growing data demonstrate that EVs may serve as potential next-generation cell-free therapeutic factors.

Guanidine Derivative ADS1017, a Potent Histamine H Receptor Antagonist with Promising Analgesic Activity and Satisfactory Safety Profile.

In this study, we selected 12 guanidine derivatives from the previously described ligand library and determined their affinity at histamine H and H receptors (HR and HR, respectively). Moreover, we also checked their intrinsic activity toward HR and muscarinic M, M, and M receptors (MR, MR, and MR, respectively). Since ADS1017 has been proved to be the most selective and highly potent H antagonist in our series, we chose it as the lead structure for further biological evaluation.