Animal Metabolite Database: Metabolite Concentrations in Animal Tissues and Convenient Comparison of Quantitative Metabolomic Data.

The Animal Metabolite Database (AMDB, https://amdb.online) is a freely accessible database with built-in statistical analysis tools, allowing one to browse and compare quantitative metabolomics data and raw NMR and MS data, as well as sample metadata, with a focus on the metabolite concentrations rather than on the raw data itself. AMDB also functions as a platform for the metabolomics community, providing convenient deposition and exchange of quantitative metabolomic data.

Metabolic profile of blood serum in experimental arterial hypertension.

The etiology of essential hypertension is intricate, since it employs simultaneously various body systems related to the regulation of blood pressure in one way or another: the sympathetic nervous system, renin-angiotensin-aldosterone and hypothalamic-pituitary-adrenal systems, renal and endothelial mechanisms. The pathogenesis of hypertension is influenced by a variety of both genetic and environmental factors, which determines the heterogeneity of the disease in human population. Hence, there is a need to perform research on experimental models - inbred animal strains, one of them being ISIAH rat strain, which is designed to simulate inherited stress-induced arterial hypertension as close as possible to primary (or essential) hypertension in humans.

Pheromone of grouped female mice impairs genome stability in male mice through stress-mediated pathways.

Population density is known to affect the health and survival of many species, and is especially important for social animals. In mice, living in crowded conditions results in the disruption of social interactions, chronic stress, and immune and reproductive suppression; however, the underlying mechanisms remain unclear. Here, we investigated the role of chemosignals in the regulation of mouse physiology and behavior in response to social crowding.

Self-assembly of a metal-organic cage-like structure bearing cofacial redox-active bis-(-semiquinone) copper(II) units.

Ditopic di--quinone with a resorcinol bridge exhibits the ability to self-assemble in a reaction with copper, giving a cage-like binuclear complex that, due to the cofacially placed metal ions, is capable of encapsulation of different solvent molecules as guest ligands. Notably, the geometry of the internal cavity of this complex adjusts depending on the coordinating properties of the encapsulated molecule (mono- or bidentate). A feature of this species is that the cage-forming units are copper(II) bis-semiquinonate moieties, capable of undergoing ligand-centered redox transformations.

Ultra-Low-Cost Disposable Hand-Held Clinical-Scale Propane Gas Hyperpolarizer for Pulmonary Magnetic Resonance Imaging Sensing.

Hyperpolarized magnetic resonance imaging (MRI) contrast agents are revolutionizing the field of biomedical imaging. Hyperpolarized Xe-129 was recently FDA approved as an inhalable MRI contrast agent for functional lung imaging sensing. Despite success in research settings, modern Xe-129 hyperpolarizers are expensive (up to $1M), large, and complex to site and operate.

Effective Connectivity of the Bilateral Amygdala, Dorsomedial Prefrontal, and Subgenual Anterior Cingulate Cortices: Feasibility of Positive Social Emotion Regulation Models for Real-Time Functional Magnetic Resonance Imaging.

Effective connectivity based on functional magnetic resonance imaging (fMRI) allows assessing directions of interaction between brain regions. For real-time fMRI, we compared models of positive social emotion regulation based on a network involving the bilateral amygdala, dorsomedial prefrontal, and subgenual anterior cingulate cortex. The top-down regulation model implied modulation of the dorsomedial prefrontal cortex exerted onto other regions, while the bottom-up model implied the inverse modulation.

Marcus Cross-Relationship Probed by Time-Resolved CIDNP.

The time-resolved CIDNP method can provide information about degenerate exchange reactions (DEEs) involving short-lived radicals. In the temperature range from 8 to 65 °C, the DEE reactions of the guanosine-5'-monophosphate anion GMP(-H) with the neutral radical GMP(-H), of the N-acetyl tyrosine anion N-AcTyrO with a neutral radical N-AcTyrO, and of the tyrosine anion TyrO with a neutral radical TyrO were studied. In all the studied cases, the radicals were formed in the reaction of quenching triplet 2,2'-dipyridyl.

New Ruthenium Nitrosyl Complexes Combining Potentially Photoactive Nitrosyl Group with the Magnetic Nitroxide Radicals as Ligands.

Two ruthenium nitrosyl complexes of Na[RuNOClL] with nitronyl nitroxide radicals coordinated to ruthenium with N-donor pyridine rings were prepared and described. The crystal structure of both complexes is 1D or 2D polymeric, due to the additional coordination of sodium cation by bridging the chloride ligands or oxygen atoms of nitroxides. Partially, the oligomeric forms remain in the solutions of the complexes in acetonitrile.

Increased Free Radical Generation during the Interaction of a Quinone-Quinoline Chelator with Metal Ions and the Enhancing Effect of Light.

Schiff bases and similar molecules forming metal complexes may cause redox effects, which may also be influenced by light. Anthraquinones such as doxorubicin and idarubicin are widely used antitumor agents, which can generate reactive oxygen species (ROS), stimulated by both the presence of iron and copper ions and also by light. The generated ROS can cause DNA scission, cell membrane oxidation, and many other toxic effects.

Revealing light-induced structural shifts in G-quadruplex-porphyrin complexes: a pulsed dipolar EPR study.

The binding of G-quadruplex structures (G4s) with photosensitizers is of considerable importance in medicinal chemistry and drug discovery due to their promising potential in photodynamic therapy applications. G4s can experience structural changes as a result of ligand interactions and light exposure. Understanding these modifications is essential to uncover the fundamental biological roles of the complexes and optimize their therapeutic potential.

From K[ReMoS(CN)] Solid Solution to Individual Cluster Complexes: Separation and Investigation of [ReMoS(CN)] and [ReMoS(CN)] Heterometallic Clusters.

A series of new cluster compounds with {ReMoS} and {ReMoS} cores has been obtained and investigated. The clusters with different Re/Mo ratios were isolated as individual compounds, which made it possible to study their spectroscopic and electrochemical properties. The geometry of the new clusters was studied using a combination of X-ray diffraction analysis, XAS and quantum chemical DFT calculations.

Effects of Zwitterions on Structural Anomalies in Ionic Liquid Glasses Studied by EPR.

Ionic liquids (ILs) form a variety of nanostructures due to their amphiphilic nature. Recently, unusual structural phenomena have been found in glassy ILs near their glass transition temperatures; however, in all studied cases, IL cations and anions were in the form of separate moieties. In this work, we investigate for the first time such structural anomalies in zwitterionic IL glasses (ZILs), where the cation and anion are bound in a single molecule.

Efficient Spin-Orbit Charge-Transfer Intersystem Crossing and Slow Intramolecular Triplet-Triplet Energy Transfer in Bodipy-Perylenebisimide Compact Dyads and Triads.

Bodipy (BDP)-perylenebisimide (PBI) donor-acceptor dyads/triad were prepared to study the spin-orbit charge-transfer intersystem crossing (SOCT-ISC). For BDP-PBI-3, in which BDP was attached at the imide position of PBI, higher singlet oxygen quantum yield (Φ =85 %) was observed than the bay-substituted derivative BDP-PBI-1 (Φ =30 %). Femtosecond transient absorption spectra indicate slow Förster resonance energy transfer (FRET; 40.

Combined homogeneous and heterogeneous hydrogenation to yield catalyst-free solutions of parahydrogen-hyperpolarized [1-C]succinate.

We show that catalyst-free aqueous solutions of hyperpolarized [1-C]succinate can be produced using parahydrogen-induced polarization (PHIP) and a combination of homogeneous and heterogeneous catalytic hydrogenation reactions. We generate hyperpolarized [1-C]fumarate PHIP using para-enriched hydrogen gas with a homogeneous ruthenium catalyst, and subsequently remove the toxic catalyst and reaction side products a purification procedure. Following this, we perform a second hydrogenation reaction using normal hydrogen gas to convert the fumarate into succinate using a solid Pd/AlO catalyst.

Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Phα1β Toxin, a TRPA1 Modulator from the Brazilian Armed Spider .

Phα1β (PnTx3-6) is a neurotoxin from the spider venom, originally identified as an antagonist of two ion channels involved in nociception: N-type voltage-gated calcium channel (Ca2.2) and TRPA1. In animal models, Phα1β administration reduces both acute and chronic pain.

High-field EPR of copper(II)-nitroxide compound exhibiting three-step phase transition: structural insights from the field-induced sample orientation.

Copper(II)-nitroxide based Cu(hfac)L compounds exhibit unusual magnetic behavior that can be induced by various stimuli. In many aspects, the magnetic phenomena observed in Cu(hfac)L are similar to classical spin-crossover behavior. However, these phenomena originate from polynuclear exchange-coupled spin clusters Cu-O˙-N< or >N-˙O-Cu-O˙-N<.

Perfluoroalkyl Chain Length Effect on Crystal Packing and [LnO] Coordination Geometry in Lanthanide-Lithium β-Diketonates: Luminescence and Single-Ion Magnet Behavior.

Functionalized perfluoroalkyl lithium β-diketonates (LiL) react with lanthanide(III) salts (Ln = Eu, Gd, Tb, Dy) in methanol to give heterobimetallic Ln-Li complexes of general formula [(LnL)(LiL)(MeOH)]. The length of fluoroalkyl substituent in ligand was found to affect the crystal packing of complexes. Photoluminescent and magnetic properties of heterobimetallic β-diketonates in the solid state are reported.

Biochemical response of two earthworm taxa exposed to freezing.

Several earthworm species are known to be able to withstand freezing. At the biochemical level, this ability is based on cryoprotectant accumulation as well as several other mechanisms. In this study, we used H NMR to investigate metabolomic changes in two freeze-tolerant earthworm taxa, Dendrobaena octaedra and one of the genetic lineages of Eisenia sp.

Quantitative analysis of cross-talk in partly deuterated samples of nuclear spins hyperpolarized by dynamic nuclear polarization (DNP) in the thermal mixing regime.

Dynamical nuclear polarization (DNP) is a powerful method that allows one to polarize virtually any spin-bearing nucleus by transferring electron polarization by microwave irradiation of the electron Zeeman transitions. Under certain conditions, the DNP process can be described in thermodynamical terms using the thermal mixing (TM) model. Different nuclear species can exchange energy indirectly through their interactions with the electron spins and reach a common spin temperature.

Cobalt(II) coordination to an N-acenaphthene-based ligand and its sodium complex.

A new bifunctional N-ligand was obtained the condensation reaction of acenaphthenequinone and 2-picolylamine. A peculiarity of this synthesis is the formation of a new intramolecular C-C bond during the reaction. The structure and redox properties of the ligand were studied.

Direct UV photodegradation of nalidixic acid in aqueous solutions: A mechanistic study.

Mechanism of direct UV photolysis of nalidixic acid (NA), a model quinolone antibiotic, was revealed using a combination of steady-state photolysis coupled with high resolution LC-MS and DFT quantum-chemical calculations. Both quantum yields of photodegradation and detailed identification of final products were performed for the first time for two main forms of NA: neutral and anionic. The quantum yield of NA photodegradation is 0.

Multifunctional fluorescent diarylethene: time-resolved study of photochemistry.

A study of luminescence and photochromic properties of ()-2,3-bis(2,5-dimethylthiophen-3-yl)-5-(4-(pyrrolidin-1-yl)benzylidene)cyclopent-2-en-1-one, which is a diarylethene with a push-pull system between carbonyl and dimethylamino groups, was performed using time-resolved methods. The intramolecular charge transfer (ICT) process as well as 6π-electrocyclization and -/-isomerization contribute to the complex light-induced properties of this molecule. Formation of unexpected short-lived intermediates was detected in the time range from 100 fs to 100 μs.

UiO-66 framework with an encapsulated spin probe: synthesis and exceptional sensitivity to mechanical pressure.

Probes sensitive to mechanical stress are in demand for the analysis of pressure distribution in materials, and the design of pressure sensors based on metal-organic frameworks (MOFs) is highly promising due to their structural tunability. We report a new pressure-sensing material, which is based on the UiO-66 framework with trace amounts of a spin probe (0.03 wt%) encapsulated in cavities.

Recombination of X-ray-Generated Radical Ion Pairs in Alkane Solution Assembles Optically Inaccessible Exciplexes from a Series of Perfluorinated -Oligophenylenes with ,-Dimethylaniline.

We demonstrate that a series of perfluorinated -oligophenylenes CF-(CF)-CF ( = 1-3) produce exciplexes with ,-dimethylaniline (DMA) in degassed X-irradiated -dodecane solutions. The optical characterization of the compounds shows that their short fluorescence lifetimes (ca. 1.