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Acta Crystallographica. Section E,... Oct 2023In the title salt, CHFNO·Cl·HO, the imidazo[1,2-]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = -0.047 (2) Å for the ring C atom...
In the title salt, CHFNO·Cl·HO, the imidazo[1,2-]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = -0.047 (2) Å for the ring C atom with the attached arene ring] and forms a dihedral angle of 61.81 (6)° with the plane of the fluoro-phenyl ring. In the crystal, water mol-ecules form an (8) motif parallel to the (100) plane by bonding with the chloride ions O-H⋯Cl hydrogen bonds. The cations are connected along the axis N-H⋯O hydrogen bonds involving the O atoms of water mol-ecules, and C-H⋯O, C-H⋯Cl and π-π inter-actions [centroid-to-centroid distance = 3.6195 (8) Å] form layers parallel to the (100) plane. Furthermore, these layers are connected π-π inter-actions [centroid-to-centroid distance = 3.8051 (9) Å] that further consolidate the crystal structure.
PubMed: 37817960
DOI: 10.1107/S2056989023007272 -
Fundamental & Clinical Pharmacology Oct 2023Volatile anesthetics may cause vascular dysfunction; however, underlying effects are unclear. The aim of the present study was to investigate whether sevoflurane and...
Volatile anesthetics may cause vascular dysfunction; however, underlying effects are unclear. The aim of the present study was to investigate whether sevoflurane and isoflurane affect vascular function, nitric oxide (NO) bioavailability, and biomarkers of oxidative stress and inflammation. Wistar rats were divided into three experimental groups: Not anesthetized (control group) or submitted to anesthesia with isoflurane (Iso group) or sevoflurane (Sevo group). Hemodynamic parameters were monitored during anesthesia, and blood gas values and biochemical determinants were analyzed. Isometric contractions were recorded in aortic rings. Vasoconstriction induced by potassium chloride (KCl) and phenylephrine (Phe) were measured. No differences in hemodynamic parameters and blood gasses variables were observed. Impaired KCl and Phe-induced contractions were observed in endothelium-intact aorta of Sevo compared to Iso and Control groups. Redox imbalance was found in Sevo and Iso groups. Reduced NO bioavailability and increased activity of matrix metalloproteinase 2 (MMP-2) were observed in Sevo, but not in the Iso group. While reduced IL-10 and IL-1β were observed in Sevo, increases in IL-1β in the Iso group were found. Sevoflurane, but not isoflurane, anesthesia impairs vasocontraction, and reduced NO and cytokines and increased MMP-2 activity may be involved in vascular dysfunction after sevoflurane anesthesia.
Topics: Rats; Animals; Isoflurane; Sevoflurane; Matrix Metalloproteinase 2; Methyl Ethers; Anesthetics, Inhalation; Rats, Wistar; Anesthesia
PubMed: 37085979
DOI: 10.1111/fcp.12901 -
The Journal of Neuroscience : the... Jan 2024K-Cl cotransporter-2 (KCC2) critically controls neuronal chloride homeostasis and maintains normal synaptic inhibition by GABA and glycine. Nerve injury diminishes...
K-Cl cotransporter-2 (KCC2) critically controls neuronal chloride homeostasis and maintains normal synaptic inhibition by GABA and glycine. Nerve injury diminishes synaptic inhibition in the spinal cord via KCC2 impairment. However, how KCC2 regulates nociceptive input to spinal excitatory and inhibitory neurons remains elusive. Here, we show that basal GABA reversal potentials were significantly more depolarized in vesicular GABA transporter (VGAT)-expressing inhibitory neurons than those in vesicular glutamate transporter-2 (VGluT2)-expressing excitatory neurons in spinal cords of male and female mice. Strikingly, inhibiting KCC2 with VU0463271 increased currents elicited by puff NMDA and the NMDAR-mediated frequency of mEPSCs in VGluT2, but not in VGAT, dorsal horn neurons. Notably, VU0463271 had no effect on EPSCs monosynaptically evoked from the dorsal root in VGluT2 neurons. Furthermore, VU0463271 augmented α2δ-1-NMDAR interactions and their protein levels in spinal cord synaptosomes. In KO mice, VU0463271 had no effect on puff NMDA currents or the mEPSC frequency in dorsal horn neurons. Disrupting α2δ-1-NMDAR interactions with α2δ-1 C-terminus mimicking peptide diminished VU0463271-induced potentiation in the mEPSC frequency and puff NMDA currents in VGluT2 neurons. Additionally, intrathecal injection of VU0463271 reduced mechanical and thermal thresholds in wild-type mice, but not in KO mice. VU0463271-induced pain hypersensitivity in mice was abrogated by co-treatment with the NMDAR antagonist, pregabalin (an α2δ-1 inhibitory ligand), or α2δ-1 C-terminus mimicking peptide. Our findings suggest that KCC2 controls presynaptic and postsynaptic NMDAR activity specifically in excitatory dorsal horn neurons. KCC2 impairment preferentially potentiates nociceptive transmission between spinal excitatory interneurons via α2δ-1-bound NMDARs.Impaired function of potassium-chloride cotransporter-2 (KCC2), a key regulator of neuronal inhibition, in the spinal cord plays a major role in neuropathic pain. This study unveils that KCC2 controls spinal nociceptive synaptic strength via NMDA receptors in a cell type- and synapse type-specific manner. KCC2 inhibition preferentially augments presynaptic and postsynaptic NMDA receptor activity in spinal excitatory interneurons via α2δ-1 (previously known as a calcium channel subunit). Importantly, spinal KCC2 impairment triggers pain hypersensitivity through α2δ-1-coupled NMDA receptors. These findings pinpoint the cell and molecular substrates for the reciprocal relationship between spinal synaptic inhibition and excitation in chronic neuropathic pain. Targeting both KCC2 and α2δ-1–NMDA receptor complexes could be an effective strategy in managing neuropathic pain conditions.
Topics: Animals; Female; Male; Mice; gamma-Aminobutyric Acid; N-Methylaspartate; Peptides; Posterior Horn Cells; Receptors, N-Methyl-D-Aspartate; Spinal Cord; Symporters; Synapses
PubMed: 38124193
DOI: 10.1523/JNEUROSCI.1943-23.2023 -
International Journal of Molecular... Jul 2023Mutations in the gene represent the major genetic risk factor for Parkinson's disease (PD). The lysosomal enzyme beta-glucocerebrosidase (GCase) encoded by the gene...
Mutations in the gene represent the major genetic risk factor for Parkinson's disease (PD). The lysosomal enzyme beta-glucocerebrosidase (GCase) encoded by the gene participates in both the endolysosomal pathway and the immune response. Disruption of these mechanisms is involved in PD pathogenesis. However, molecular mechanisms of PD associated with mutations (GBA-PD) are unknown today in particular due to the partial penetrance of variants in PD. The modifiers of penetrance have not been elucidated. We characterized the transcriptomic profiles of cells from the substantia nigra (SN) of mice with co-injection with 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) and selective inhibitor of GCase activity (conduritol-β-epoxide, (CBE)) to mimic PD bearing GCase dysfunction (MPTP+CBE), mice treated with MPTP, mice treated with CBE and control mice treated with injection of sodium chloride (NaCl) (vehicle). Differential expression analysis, pathway enrichment analysis, and outlier detection were performed. Functional clustering of differentially represented transcripts revealed more processes associated with the functioning of neurogenesis, inflammation, apoptosis and autophagy in MPTP+CBE and MPTP mice than in vehicle mice, with a more pronounced alteration of autophagy processes in MPTP+CBE mice than in MPTP mice. The PI3K-Akt-mTOR signaling pathway may be considered a potential target for therapy in PD with GCase dysfunction.
Topics: Animals; Mice; 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; Disease Models, Animal; Gene Expression Profiling; Glucosylceramidase; Mice, Inbred C57BL; MPTP Poisoning; Parkinson Disease; Parkinsonian Disorders; Phosphatidylinositol 3-Kinases; Substantia Nigra
PubMed: 37569538
DOI: 10.3390/ijms241512164 -
Inorganic Chemistry Jul 2023Replacement of the chloride ligand of PtCl{κ-,,-[py-CHR-py]} (R = H (), Me ()) and PtCl{κ-,,-[py-O-CH-O-py]} () by hydroxido gives Pt(OH){κ-,,-[py-CHR-py]} (R = H (),...
Replacement of the chloride ligand of PtCl{κ-,,-[py-CHR-py]} (R = H (), Me ()) and PtCl{κ-,,-[py-O-CH-O-py]} () by hydroxido gives Pt(OH){κ-,,-[py-CHR-py]} (R = H (), Me ()) and Pt(OH){κ-,,-[py-O-CH-O-py]} (). These compounds promote deprotonation of 3-(2-pyridyl)pyrazole, 3-(2-pyridyl)-5-methylpyrazole, 3-(2-pyridyl)-5-trifluoromethylpyrazole, and 2-(2-pyridyl)-3,5-bis(trifluoromethyl)pyrrole. The coordination of the anions generates square-planar derivatives, which in solution exist as a unique species or equilibria between isomers. Reactions of and with 3-(2-pyridyl)pyrazole and 3-(2-pyridyl)-5-methylpyrazole provide Pt{κ-,,-[py-CHR-py]}{κ--[R'pz-py]} (R = H; R' = H (), Me (). R = Me; R' = H (), Me ()), displaying κ--pyridylpyrazolate coordination. A 5-trifluoromethyl substituent causes N-to-N slide. Thus, 3-(2-pyridyl)-5-trifluoromethylpyrazole affords equilibria between Pt{κ-,,-[py-CHR-py]}{κ--[CFpz-py]} (R = H (), Me ()) and Pt{κ-,,-[py-CHR-py]}{κ--[CFpz-py]} (R = H (), Me ()). 1,3-Bis(2-pyridyloxy)phenyl allows the chelating coordination of the incoming anions. Deprotonations of 3-(2-pyridyl)pyrazole and its substituted 5-methyl counterpart promoted by lead to equilibria between Pt{κ-,,-[pyO-CH-Opy]}{κ--[R'pz-py]} (R' = H (), Me ()) with a κ--pyridylpyrazolate anion, keeping the pincer coordination of the di(pyridyloxy)aryl ligand, and Pt{κ-,-[pyO-CH(Opy)]}{κ--[R'pz-py]} (R' = H (), Me ()) with two chelates. Under the same conditions, 3-(2-pyridyl)-5-trifluoromethylpyrazole generates the three possible isomers: Pt{κ-,,-[pyO-CH-Opy]}{κ--[CFpz-py]} (), Pt{κ-,,-[pyO-CH-Opy]}{κ--[CFpz-py]} (), and Pt{κ-,-[pyO-CH(Opy)]}{κ-,-[CFpz-py]} (). The N-pyrazolate atom produces a remote stabilizing effect on the chelating form, pyridylpyrazolates being better chelate ligands than pyridylpyrrolates. Accordingly, reactions of - with 2-(2-pyridyl)-3,5-bis(trifluoromethyl)pyrrole yield Pt{κ-,,-[py-CHR-py]}{κ--[(CF)C(py)HN]} (R = H (), Me ()) or Pt{κ-,,-[pyO-CH-Opy]}{κ--[(CF)C(py)HN]} (), displaying κ--pyrrolate coordination. Complexes - are efficient green phosphorescent emitters (488-576 nm). In poly(methyl methacrylate) (PMMA) films and in dichloromethane, they experience self-quenching, due to molecular stacking. Aggregation occurs through aromatic π-π interactions, reinforced by weak platinum-platinum interactions.
PubMed: 37343120
DOI: 10.1021/acs.inorgchem.3c00694 -
Scientific Reports Mar 2024Thermal energy storage utilizing the adsorption of moisture from air is a promising energy storage technology due to its high energy density and minimum heat losses....
Thermal energy storage utilizing the adsorption of moisture from air is a promising energy storage technology due to its high energy density and minimum heat losses. Salt hydrates and salt hydrate composites, such as calcium chloride (CaCl) and CaCl-based composites, have shown favourable energy storage properties in this area of research. However, these materials have shown issues with stability due to swelling and deliquescence. In this work, CaCl was stabilized using three methods: impregnation into silica gel, encapsulation in methyl cellulose, and both impregnation and encapsulation stabilization techniques used simultaneously. Therefore, three CaCl-based composites were synthesized. For the first composite, silica gel was impregnated with CaCl. For the second composite, CaCl was encapsulated by methyl cellulose. For the third composite, silica gel was impregnated with CaCl and the CaCl was encapsulated with methyl cellulose. These samples were structurally characterized using scanning electron microscopy as well as Brunauer-Emmett-Teller (BET) to determine surface area, pore size distribution and nitrogen adsorption isotherms at 77 K. Water vapour adsorption isotherms were also determined at 25 °C for different relative humidities by dynamic vapor sorption (DVS). Similarly, LiCl-based composites were also synthesized and examined in this work, but issues of deliquescence, swelling, and agglomeration made the materials impractical to work with. To determine the prepared materials' thermal energy storage performance, 2-6 g of each sample was tested in a lab-scale apparatus. This process uses the exothermic adsorption of moisture from ambient air in an open thermal energy storage system. The CaCl impregnated silica gel that was encapsulated in methyl cellulose showed reasonably high stability and energy storage performance after 3 hydration and dehydration cycles with minimum agglomeration. An energy storage density of 241 kWh/m (0.87 GJ/m) and specific energy of 630 Wh/kg (2268 kJ/kg) was achieved with this material for 90% inlet relative humidity after a regeneration at 90 °C.
PubMed: 38531916
DOI: 10.1038/s41598-023-50672-6 -
The Journal of Physical Chemistry... May 2024The dynamics, orientational anisotropy, diffusivity, viscosity, and density were measured for concentrated lithium salt solutions, including lithium chloride (LiCl),...
The dynamics, orientational anisotropy, diffusivity, viscosity, and density were measured for concentrated lithium salt solutions, including lithium chloride (LiCl), lithium bromide (LiBr), lithium nitrite (LiNO), and lithium nitrate (LiNO), with methyl thiocyanate as an infrared vibrational probe molecule, using two-dimensional infrared spectroscopy (2D IR), nuclear magnetic resonance (NMR) spectroscopy, and viscometry. The 2D IR, NMR, and viscosity results show that LiNO exhibits longer correlation times, lower diffusivity, and nearly 4 times greater viscosity compared to those of the other lithium salt solutions of the same concentration, suggesting that nitrite anions may strongly facilitate structure formation via strengthening water-ion network interactions, directly impacting bulk solution properties at sufficiently high concentrations. Additionally, the LiNO and LiNO solutions show significantly weakened chemical interactions between the lithium cations and the methyl thiocyanate when compared with those of the lithium halide salts.
PubMed: 38708887
DOI: 10.1021/acs.jpclett.4c00585 -
Journal of Colloid and Interface Science Aug 2023Manganese and phosphorus co-doped, graphitic carbon nitride (g-CN) nanosheet (Mn/P-g-CN) is prepared by facile and green calcination process of melamine (CHN), manganese...
A facile and green synthesis of Mn and P functionalized graphitic carbon nitride nanosheets for spintronics devices and enhanced photocatalytic performance under visible-light.
Manganese and phosphorus co-doped, graphitic carbon nitride (g-CN) nanosheet (Mn/P-g-CN) is prepared by facile and green calcination process of melamine (CHN), manganese chloride tetrahydrate (MnCl·4HO), and ammonium dihydrogen phosphate ((NH)HPO). The Mn/P co-doping significantly enhances magnetic values compared to pristine-g-CN, phosphorus-doped g-CN (P-g-CN), and manganese-doped g-CN (Mn-g-CN). We find that Mn/P-g-CN is a half-metallic ferromagnetic material having a magnetic moment and Curie temperature of 4.51 μ and ∼ 800 K, respectively. The ultraviolet-visible (UV-vis) absorption spectrum of Mn/P-g-CN reveals superior absorption in broader wavelength compared to pristine-g-CN, P-g-CN, and Mn-g-CN. The methyl orange degradation efficiency of Mn/P-g-CN photocatalyst is 94 %, which is three times more than that of pristine-g-CN (29 %) and more significant than the P-g-CN (46 %) and Mn-g-CN (58 %). Furthermore, density functional theory (DFT) calculation explains the origin of high magnetic behavior, the boosted photocatalytic efficiency of Mn/P-g-CN, and the essential material properties like structure, bandgap, the density of states (DOS), and atomic level interaction. This work may be helpful for reasonably designing ferromagnetic material for spintronics devices and boosting visible-light (VL) photocatalytic performance for environmental remediation.
PubMed: 37126890
DOI: 10.1016/j.jcis.2023.04.057 -
Tetrahedron Sep 2023Sequential treatment of alkyl 2-(2-nitroaryl)-2-butenoates with potassium -butoxide and an electrophile, such as methyl iodide, benzyl bromide and allyl bromide,...
Sequential treatment of alkyl 2-(2-nitroaryl)-2-butenoates with potassium -butoxide and an electrophile, such as methyl iodide, benzyl bromide and allyl bromide, afforded -alkoxyindoles. In related reactions, using sodium -pentoxide as the base with or without addition of an electrophile afforded -alkoxy- and -hydroxyindoles, respectively. Electrophiles such as dimethylsulfate, -tosyl chloride, and acetic anhydride afforded moderate yields of the respective -methoxy-, -tosyloxy, and -acetoxyindoles, while methyl iodide, benzyl bromide, and 1-bromohexane failed to form alkylated products using sodium -pentoxide as the base.
PubMed: 37680993
DOI: 10.1016/j.tet.2023.133578 -
World Journal of Microbiology &... Nov 2023Urinary tract infections (UTIs) are a significant cause of morbidity in healthcare systems and are prominently associated with applying urethral catheters, particularly...
Urinary tract infections (UTIs) are a significant cause of morbidity in healthcare systems and are prominently associated with applying urethral catheters, particularly in surgeries. Polyvinyl chloride (PVC) is extensively utilized in the fabrication of catheters. Biofilms, complex polymeric constructions, provide a protective milieu for cell multiplication and the enhancement of antibiotic resistance. Strategies to counteract biofilm development on medical apparatuses' surfaces incorporate antimicrobial agents such as N,N-dodecyl, and methyl polyethylenimine (DMPEI). This research endeavored to characterize the morphology of PVC and PVC-DMPEI surfaces utilizing Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) and to gauge hydrophobicity through contact angle measurements. Employing Escherichia coli, Staphylococcus aureus, and Candida albicans in adhesion assays enabled the assessment of DMPEI's efficacy in preventing microbial adherence to PVC. Butanol successfully solubilized 2 mg.mL DMPEI without altering the PVC structure. SEM results substantiated the formation of a DMPEI layer on the PVC surface, which led to decreased surface roughness, as validated by AFM, and increased hydrophilicity, as demonstrated by contact angle evaluations. E. coli, S. aureus, and C. albicans exhibited significant adhesion reduction, 89.3%, 94.3%, and 86.6% on PVC-DMPEI surfaces. SEM visualizations confirmed reduced cellular colonization on PVC-DMPEI and highlighted considerable morphological modifications in E. coli. Consequently, DMPEI films effectively minimize the adhesion of E. coli, S. aureus, and C. albicans on PVC surfaces. DMPEI, with its potential as a protective coating for innovative medical devices, promises to inhibit biofilm adherence effectively.
Topics: Polyethyleneimine; Escherichia coli; Staphylococcus aureus; Catheters; Biofilms; Candida albicans
PubMed: 37932532
DOI: 10.1007/s11274-023-03799-7