Size-Dependent Wetting Contact Angles at the Nanoscale Defined by Equimolar Surfaces and Surfaces of Tension.

The wetting characteristics of fluids play a crucial role in various fields of interface and surface science. Contact angle serves as a fundamental indicator of wetting behavior. However, accurate quantification of wetting phenomena even at the macroscale often poses challenges, particularly due to the hysteresis between receding and advancing contact angles.

Unveiling risk factors for post-COVID-19 syndrome development in people with type 2 diabetes.

Introduction: Post-COVID-19 syndrome (PCS) is a severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection-associated chronic condition characterized by long-term violations of physical and mental health. People with type 2 diabetes (T2D) are at high risk for severe COVID-19 and PCS.

Aim: The current study aimed to define the predictors of PCS development in people with T2D for further planning of preventive measures and improving patient outcomes.

C60 fullerene improves the contractile activity of the injured rat muscle gastrocnemius.

The powerful antioxidant properties of C60 fullerenes have been widely used in biomedical nanotechnology. Owing to the negative effects of free radicals in oxidative stress processes, antioxidants are required to protect injured muscles. Here, the effect of water-soluble C60 fullerenes (daily oral dose 1 mg/kg) on the process of restoration of contractile activity of skeletal muscle of rats (muscle gastrocnemius) 15 days after the initiation of open trauma of different severity was studied for the first time.

Comparison of the experience and perception of artificial intelligence among practicing doctors and medical students.

Objective: Aim: To analyze and compare the experiences and perceptions of artificial intelligence (AI) among practicing doctors and medical students.

Patients And Methods: Materials and Methods: A survey was conducted among 30 doctors and 30 fifth-year master's students enrolled in the "Medicine" program. Participants were asked about their experiences with AI, their perceptions of AI's impact on their education and practice, and their views on the benefits and drawbacks of AI in the medical field.

Crystal structure and Hirshfeld surface analysis of the salt 2-iodo-ethyl-ammonium iodide - a possible side product upon synthesis of hybrid perovskites.

The title organic-inorganic hybrid salt, CHIN·I, is isotypic with its bromine analog, CHBrN·Br [Semenikhin (2024 ▸). E, 738-741]. Its asymmetric unit consists of one 2-iodo-ethyl-ammonium cation and one iodide anion.

Synthesis, structures and Hirshfeld surface analyses of 2-hy-droxy-'-methyl-acetohydrazide and 2-hy-droxy--methyl-acetohydrazide.

The structures of the title compounds 2-hy-droxy-'-methyl-acetohydrazide, , and 2-hy-droxy--methyl-acetohydrazide, , both CHNO, as regioisomers differ in the position of the methyl group relative to the N atoms in 2-hy-droxy-acetohydrazide. In the structure of , the 2-hy-droxy-acetohydrazide core [OH-C-C(=O)-NH-NH] is almost planar and the methyl group is rotated relative to this plane. As opposed to , in the structure of all non-hydrogen atoms lie in the same plane.

Triclinic polymorph of bis-[2-methyl-3-(pyridin-2-yl)imidazo[1,5-]pyridin-2-ium] tetra-chloridocadmium(II).

The crystal structure of the title organic-inorganic hybrid salt, (CHN)[CdCl], (I), has been reported with four mol-ecules in the asymmetric unit in a monoclinic cell [Vassilyeva (2021 ▸). , , 7713-7722]. While using two different aldehydes in the oxidative cyclization-condensation involving CHNH·HCl to prepare a new monovalent cation with the imidazo[1,5-]pyridinium skeleton, a new polymorph was obtained for (I) in space group 1 and a unit cell with approximately half the volume of the monoclinic form.

Crystal structure of bis-{5-(4-chloro-phen-yl)-3-[6-(1-pyrazol-1-yl)pyridin-2-yl]-1-1,2,4-triazol-1-ido}nickel(II) methanol disolvate.

The unit cell of the title compound, [Ni(CHClN)]·2CHOH, consists of a neutral complex and two methanol mol-ecules. In the complex, the two tridentate 2-(3-(4-chloro-phen-yl)-1-1,2,4-triazol-5-yl)-6-(1-pyrazol-1-yl)pyridine ligands coordinate to the central Ni ion through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo-octa-hedral coordination sphere. Neighbouring tapered mol-ecules are linked through weak C-H(pz)⋯π(ph) inter-actions into monoperiodic chains, which are further linked through weak C-H⋯N/C inter-actions into diperiodic layers.

Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular Simulation.

Efficient computational screenings are integral to materials discovery in highly sought-after gas adsorption and storage applications, such as CO capture. Preprocessing techniques have been developed to render experimental crystal structures suitable for molecular simulations by mimicking experimental activation protocols, particularly residual solvent removal. Current accounts examining these preprocessed materials databases indicate the presence of assorted structural errors introduced by solvent removal and preprocessing, including improper elimination of charge-balancing ions and ligands.

The role of university clinics in advancing higher medical education.

Objective: Aim: To explore the multifaceted role of university clinics in shaping medical professionals, advancing medical knowledge, and improving healthcare delivery. Special attention is given to their function as primary platforms for practical training, the development of professional competencies, and the implementation of innovative teaching methods in medical education..

Multigram Synthesis of 3,3-Spiro-α-prolines.

A series of novel spirocyclic α-proline building blocks with a spiro conjunction in position 3 of the pyrrolidine ring was prepared to employ two convenient and practical synthetic approaches. Both alternative routes utilize simple and readily available starting materials─cyclic ketones and esters─and comprise 6 and 7 steps, respectively. The methodologies feature distinct advantages, using routine organic chemistry transformations, and are suitable for producing multigram amounts of the target prolines.

Development and optimisation of the biosensor for aspartate aminotransferase blood level determination.

This work presents the development and optimisation of an amperometric biosensor for determining aspartate aminotransferase (AST) activity in blood serum, using glutamate oxidase and platinum disc electrodes. AST is a key biomarker for diagnosing cardiovascular and liver diseases. The biosensor's bioselective membrane composition and formation protocol and the working solution (aspartate 8 mM, α-ketoglutarate 2 mM, pyridoxal-5-phosphate 100 µM) were optimised.

Thermally activated processes: the underlying mechanism of activated state formation.

In the present manuscript, we highlight the contradictions in the thermally activated processes theory which treats a system's activated state as a state of the phonon subsystem. We offer an alternative model, in which the activated state is treated as an electron subsystem state. The mechanism of the activated state formation is as follows: thermal fluctuations excite electrons of some particles within the activation zone.

For whom the bell tolls: The fear of death and the ways to become less afraid of it.

Objective: Aim: This paper aims to examine the fear of death and psychotherapeutic techniques to face and confront this fear.

Patients And Methods: Materials and Methods: The authors used interpretive research paradigm, integrative anthropological approach, and hermeneutic approach. The data collection was carried out using PubMed, Scopus, Web of Science, Google Scholar databases.

Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.

Hybrid halide perovskites form a promising class of light-absorbing materials. Among the numerous 3D semiconducting perovskites, there is a group of emerging aziridinium-based hybrids that are considered to be prospective materials for optoelectronic applications. In this work, we report the mixed halide aziridinium perovskites of (AzrH)PbBrxI3-x series (AzrH = aziridinium).

Physicochemical and Biological Evaluation of gem-Difluorinated Saturated Oxygen Heterocycles as Bioisosteres for Drug Discovery.

A comprehensive study on the physicochemical properties of gem-fluorinated O-heterocyclic substituents is reported. Systematic additive effects of introducing O- and gem-CF group introduction on acidic properties (pK) of the corresponding carboxylic acids/protonated primary amines were demonstrated. The impact of the O/CF moieties on lipophilicity (LogP) was found to be complex; significant mutual influence of the corresponding polar moieties governed the compound's overall properties in this case.

Structural Insight on the Selectivity of Calyx[4]Arene-Based Inhibitors of MgDependent Atp-Hydrolases.

Located in plasma membranes, ATP hydrolases are involved in several dynamic transport processes, helping to control the movement of ions across cell membranes. ATP hydrolase acts as a transport protein, converting energy from ATP hydrolysis into transport molecules against their concentration gradients. In addition to energy metabolism and active transport, ATP hydrolase is essential for maintaining cellular homeostasis and cell function.

Expression of concern: Diamond nanowires modified with poly[3-(pyrrolyl)carboxylic acid] for the immobilization of histidine-tagged peptides.

Expression of concern for 'Diamond nanowires modified with poly[3-(pyrrolyl)carboxylic acid] for the immobilization of histidine-tagged peptides' by Palaniappan Subramanian , , 2014, , 4343-4349, https://doi.org/10.1039/C4AN00146J.

"Angular" Spirocyclic Azetidines: Synthesis, Characterization, and Evaluation in Drug Discovery.

The previously neglected "angular" spirocyclic azetidines have been synthesized, characterized, and validated in drug discovery. We have shown that these compounds could act as bioisosteres for common saturated six-membered heterocycles. Their incorporation into the structure of the anticancer drug Sonidegib (instead of morpholine), and Danofloxacine (instead of piperazine) provided novel patent-free analogs with similar physicochemical properties and high activity.

CF-Cyclobutanes: Synthesis, Properties, and Evaluation as a Unique -Butyl Group Analogue.

Isosteric replacement of functional groups is an emerging strategy for optimizing bioactive molecules in drug discovery. -Butyl group is a particularly important moiety, yet its isosteric replacement with 1-trifluoromethyl-cyclobutyl group has been rather neglected. To enable the advance of this molecular fragment in drug discovery programs, we report the synthesis of over 30 small-molecule building blocks featuring the trifluoromethyl-cyclobutyl fragment, achieved by reacting sulfur tetrafluoride with cyclobutylcarboxylic acids on a gram-to-multigram scale.

C Fullerene Reduces the Development of Post-Traumatic Dysfunction in Rat Soleus Muscle.

Traumatic skeletal muscle injury is a complex pathology caused by high-energy trauma to muscle tissue. Previously, a positive effect was established when C fullerene was administered against the background of muscle ischemia, mechanical muscle injury, and other muscle dysfunctions, which probably protected the muscle tissue from damage caused by oxidative stress. Using tensiometry and biochemical analysis, the biomechanical parameters of skeletal muscle contraction and biochemical indices of the blood of rats 15 days after traumatic injury of the soleus muscle caused by myocyte destruction by compression were studied.

4-Azaspiro[2.3]hexane, an Overlooked Piperidine Isostere: Multigram Synthesis and Physicochemical and Structural Evaluation.

An expedient approach to the synthesis of 4-azaspiro[2.3]hexane derivatives is described. The synthetic scheme consists of Tebbe olefination of -Boc-protected 2-azetidinone (including the first use of the deuterated Petasis reagent CpTi(CD) in the building block preparation) and cyclopropanation of the resulting intermediate.

Effectiveness of stem cell therapy for male infertility restoration: A systematic review.

Cell therapy has emerged as a prominent leader in regenerative medicine, offering potential solutions for various disorders, including infertility. Half of all infertility cases are related to male factors. The objective of this study is to systematically summarize the existing knowledge regarding studies on stem cell-based therapy for the regeneration of impaired spermatogenesis.

Physico-chemical properties of Priestia endophytica UCM B-5715 fluorescent pigments.

The endophytic bacterium Priestia endophytica (Bacillus endophyticus) UCM B-5715 (= DSM 13796) has been found to produce a distinctive pink pigment exhibiting vibrant yellow fluorescence. Investigation of the pigment extract revealed the presence of 2 non-polar fluorescent-colored compounds, with molecular masses of 376 (14.12 %) and 410 (82.