Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu(tebpz) MOF.

Liquid porosimetry experiments reveal a peculiar trend of the intrusion pressure of water in hydrophobic Cu(3,3',5,5'-tetraethyl-4,4'-bipyrazolate) MOF. At lower temperature (T) range, the intrusion pressure (P) increases with T. For higher T values, P first reaches a maximum and then decreases.

5-HT receptor neutral antagonists protect astrocytes: A lesson from 2-phenylpyrrole derivatives.

The serotonin type 6 receptor (5-HTR) displays a strong constitutive activity, suggesting it participates largely in the physiological and pathological processes controlled by the receptor. The active states of 5-HTR engage particular signal transduction pathways that lead to different biological responses. In this study, we present the development of 5-HTR neutral antagonists at Gs signaling built upon the 2-phenylpyrrole scaffold.

Bubbles enable volumetric negative compressibility in metastable elastocapillary systems.

Although coveted in applications, few materials expand when subject to compression or contract under decompression, i.e., exhibit negative compressibility.

Mild-Temperature Supercritical Water Confined in Hydrophobic Metal-Organic Frameworks.

Fluids under extreme confinement show characteristics significantly different from those of their bulk counterpart. This work focuses on water confined within the complex cavities of highly hydrophobic metal-organic frameworks (MOFs) at high pressures. A combination of high-pressure intrusion-extrusion experiments with molecular dynamic simulations and synchrotron data reveals that supercritical transition for MOF-confined water takes place at a much lower temperature than in bulk water, ∼250 K below the reference values.

Improving Activity of New Arylurea Agents against Multidrug-Resistant and Biofilm-Producing .

Multidrug-resistant (MDR) strains of (), prevalent in hospital environments, contribute to increased morbidity and mortality, especially among newborns, posing a critical concern for neonatal sepsis. In response to the pressing demand for novel antibacterial therapies, we present findings from synthetic chemistry and structure-activity relationship studies focused on arylsulfonamide/arylurea derivatives of aryloxy[1-(thien-2-yl)propyl]piperidines. Through bioisosteric replacement of the sulfonamide fragment with a urea moiety, compound was identified, demonstrating potent bacteriostatic activity against clinical multidrug-resistant strains (MIC and MIC = 1.

Exploring the Heat of Water Intrusion into a Metal-Organic Framework by Experiment and Simulation.

Wetting of a solid by a liquid is relevant for a broad range of natural and technological processes. This process is complex and involves the generation of heat, which is still poorly understood especially in nanoconfined systems. In this article, scanning transitiometry was used to measure and evaluate the pressure-driven heat of intrusion of water into solid ZIF-8 powder within the temperature range of 278.

Quantification of the Post-Fire Strength Retention Factors for Selected Standard Duplex and Lean Duplex Stainless Steel Grades.

The experimental quantification of retention factors related to the post-fire strength as well as the post-fire ductility of intentionally selected stainless steel grades applied in construction is the objective of the research presented here. These steel grades are characterized by a two-phase austenitic-ferritic microstructure of the duplex type. In this context, two mutually corresponding chromium-nickel-molybdenum steel grades are subjected to analysis, namely steel belonging to the standard duplex group (DSS 22% Cr) and steel belonging to the lean duplex group (LDSS).

Quality-dependent performance of hydrophobic ZIF-67 upon high-pressure water intrusion-extrusion process.

Zeolitic imidazolate framework (ZIF) microporous materials have already been employed in many fields of energetic and environmental interest since the last decade. The commercial scale production of some of these materials makes them more accessible for their implementation in industrial processes; however, their massive synthesis may entail modifications to the preparation protocols, which may result in a loss in the optimization of this process and a drop in the material's quality. This fact may have implications for the performance of these materials during their lifetime, especially when they are used in applications such as energy dissipation, in which they are subjected to several operating cycles under high pressures.

Superiority of the Triple-Acting 5-HTR/5-HTR Antagonist and MAO-B Reversible Inhibitor over 5-HTR Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.

The multifactorial origin and neurochemistry of Alzheimer's disease (AD) call for the development of multitarget treatment strategies. We report a first-in-class triple acting compound that targets serotonin type 6 and 3 receptors (5-HT-Rs) and monoamine oxidase type B (MAO-B) as an approach for treating AD. The key structural features required for MAO-B inhibition and 5-HTR antagonism and interaction with 5-HTR were determined using molecular dynamic simulations and cryo-electron microscopy, respectively.

Bimetallic Zeolitic Imidazole Frameworks for Improved Stability and Performance of Intrusion-Extrusion Energy Applications.

Hydrophobic flexible zeolitic imidazole frameworks (ZIFs) represent reference microporous materials in the area of mechanical energy storage, conversion, and dissipation via non-wetting liquid intrusion-extrusion cycle. However, some of them exhibit drawbacks such as lack of stability, high intrusion pressure, or low intrusion volume that make them non-ideal materials to consider as candidates for real applications. In this work, we face these limitations by exploiting the hybrid ZIF concept.

Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor.

Zeolitic Imidazolate Frameworks (ZIF) find application in storage and dissipation of mechanical energy. Their distinctive properties linked to their (sub)nanometer size and hydrophobicity allow for water intrusion only under high hydrostatic pressure. Here we focus on the popular ZIF-8 material investigating the intrusion mechanism in its nanoscale cages, which is the key to its rational exploitation in target applications.

Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid.

Hypothesis: The behavior of Heterogeneous Lyophobic Systems (HLSs) comprised of a lyophobic porous material and a corresponding non-wetting liquid is affected by a variety of different structural parameters of the porous material. Dependence on exogenic properties such as crystallite size is desirable for system tuning as they are much more facilely modified. We explore the dependence of intrusion pressure and intruded volume on crystallite size, testing the hypothesis that the connection between internal cavities and bulk water facilitates intrusion via hydrogen bonding, a phenomenon that is magnified in smaller crystallites with a larger surface/volume ratio.

Impact Fracture Surfaces as the Indicators of Structural Steel Post-Fire Susceptibility to Brittle Cracking.

The results of experimental research on forecasting post-fire resistance to brittle failure of selected steel grades used in construction are presented and discussed in this paper. The conclusions are based on detailed analysis of fracture surfaces obtained in instrumented Charpy tests. It has been shown that the relationships formulated based on these tests agree well with conclusions drawn based on precise analysis of appropriate curves.

Design and synthesis of novel arylurea derivatives of aryloxy(1-phenylpropyl) alicyclic diamines with antimicrobial activity against multidrug-resistant Gram-positive bacteria.

The alarming increase in the resistance of bacteria to the currently available antibiotics necessitates the development of new effective antimicrobial agents that are active against bacterial pathogens causing major public health problems. For this purpose, our in-house libraries were screened against a wide panel of clinically relevant Gram-positive and Gram-negative bacteria, based on which compound I was selected for further optimization. Synthetic efforts in a group of arylurea derivatives of aryloxy(1-phenylpropyl) alicyclic diamines, followed with an in vitro evaluation of the activity against multidrug-resistant strains identified compound 44 (1-(3-chlorophenyl)-3-(1-{3-phenyl-3-[3-(trifluoromethyl)phenoxy] propyl}piperidin-4-yl)urea).

The Constitutive Activity of Spinal 5-HT Receptors Contributes to Diabetic Neuropathic Pain in Rats.

Diabetic neuropathy is often associated with chronic pain. Serotonin type 6 (5-HT) receptor ligands, particularly inverse agonists, have strong analgesic potential and may be new candidates for treating diabetic neuropathic pain and associated co-morbid cognitive deficits. The current study addressed the involvement of 5-HT receptor constitutive activity and mTOR signaling in an experimental model of diabetic neuropathic pain induced by streptozocin (STZ) injection in the rat.

Impact of the Substitution Pattern at the Basic Center and Geometry of the Amine Fragment on 5-HT and DR Affinity in the 1-Pyrrolo[3,2-]quinoline Series.

Salt bridge (SB, double-charge-assisted hydrogen bonds) formation is one of the strongest molecular non-covalent interactions in biological systems, including ligand-receptor complexes. In the case of G-protein-coupled receptors, such an interaction is formed by the conserved aspartic acid (D3.32) residue and the basic moiety of the aminergic ligand.

Discovery of SI 1/20 and SI 1/22 as Mutual Prodrugs of 5-Fluorouracil and Imidazole-Based Heme Oxygenase 1 Inhibitor with Improved Cytotoxicity in DU145 Prostate Cancer Cells.

In this work, we extend the concept of 5-fluorouracil/heme oxygenase 1 (5-FU/HO-1) inhibitor hybrid as an effective strategy for enhancing 5-FU-based anticancer therapies. For this purpose, we designed and synthesized new mutual prodrugs, named SI 1/20 and SI 1/22, in which the two active parent drugs (i. e.

1-(Arylsulfonyl-isoindol-2-yl)piperazines as 5-HTR Antagonists: Mechanochemical Synthesis, In Vitro Pharmacological Properties and Glioprotective Activity.

In addition to the canonical Gs adenylyl cyclase pathway, the serotonin type 6 receptor (5-HTR) recruits additional signaling pathways that control cognitive function, brain development, and synaptic plasticity in an agonist-dependent and independent manner. Considering that aberrant constitutive and agonist-induced active states are involved in various pathological mechanisms, the development of biased ligands with different functional profiles at specific 5-HTR-elicited signaling pathways may provide a novel therapeutic perspective in the field of neurodegenerative and psychiatric diseases. Based on the structure of SB-258585, an inverse agonist at 5-HTR-operated Gs and Cdk5 signaling, we designed a series of 1-(arylsulfonyl-isoindol-2-yl)piperazine derivatives and synthesized them using a sustainable mechanochemical method.

Influence of Long-Term Subcritical Annealing on the Unalloyed Steel Welded Joint Microstructure.

The article presents changes in the microstructure of hot-rolled unalloyed structural steel after the arc welding process and in the state after long-term exposure to 600 °C during operation. These studies enable a clear assessment of the effects of long-term exposure to elevated temperature relative to the as-welded condition, which has not been reported. The microstructure examination was carried out on welded joints in eight different zones of the joint.

New, Eco-Friendly Method for Synthesis of 3-Chlorophenyl and 1,1'-Biphenyl Piperazinylhexyl Trazodone Analogues with Dual 5-HT/5-HT Affinity and Its Antidepressant-like Activity.

Serotonin 5-HT and 5-HT receptors play an important role in the pathogenesis and pharmacotherapy of depression. Previously identified -hexyl trazodone derivatives, 2-(6-(4-(3-chlorophenyl)piperazin-1-yl)hexyl)-[1,2,4]triazolo[4,3-]pyridin-3(2)-one hydrochloride (), with high affinity for 5-HTR and 2-(6-(4-([1,1'-biphenyl]-2-yl)piperazin-1-yl)hexyl)-[1,2,4]triazolo[4,3-]pyridin-3(2)-one hydrochloride (), a dual-acting 5-HT/5-HT receptor ligand, were prepared with a new microwave-assisted method. The protocol for the synthesis of and involved reductive alkylation under a mild reducing agent.

Ligand assisted CuAAC labelling and RP-HPLC analysis of zidovudine and Retrovir using propargyl-Fmoc probe.

The extensive application of zidovudine (ZDV) as a stand-alone anti-HIV drug and a component in antiviral combination therapies, has made its analysis important both in the pharmaceutical and environmental context. The azide group in ZDV structure makes it a ready-to-use substrate for copper-catalyzed azide-alkyne cycloaddition (CuAAC), which is an efficient method for "click chemistry" labeling. In this paper, we describe a ligand-assisted CuAAC procedure for the precolumn derivatization of ZDV.

Electrospinning of Poly (Acrylamide), Poly (Acrylic Acid) and Poly (Vinyl Alcohol) Nanofibers: Characterization and Optimization Study on the Effect of Different Parameters on Mean Diameter Using Taguchi Design of Experiment Method.

In this study, nanofibers of poly (acrylic acid) (PAAc), polyacrylamide (PAAm) and poly (vinyl alcohol) (PVOH) were prepared using the electrospinning technique. Based on the Taguchi DOE (design of experiment) method, the effects of electrospinning parameters, i.e.

Preparation and Characterization of Novel Microgels Containing Nano-SiO and Copolymeric Hydrogel Based on Poly (Acrylamide) and Poly (Acrylic Acid): Morphological, Structural and Swelling Studies.

In this paper, novel microgels containing nano-SiO were prepared by in situ copolymerization using nano-SiO particles as a reinforcing agent, nanosilica functional monomer (silane-modified nano-SiO) as a structure and morphology director, acrylamide (AAm) as a monomer, acrylic acid (AAc) as a comonomer, potassium persulfate (KPS) as a polymerization initiator, and N,N'-methylene bis (acrylamide) (MBA) as a crosslinker. In addition, a conventional copolymeric hydrogel based on poly (acrylamide/acrylic acid) was synthesized by solution polymerization. The microgel samples, hydrogel and nanoparticles were characterized by transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC).