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1.
Int J Biol Macromol ; : 134172, 2024 Aug 05.
Article in English | MEDLINE | ID: mdl-39111484

ABSTRACT

Chitosan has established itself as a multifunctional and auspicious biomaterial within the domain of tissue engineering, presenting a decade of uninterrupted advancements and novel implementations. This article provides a comprehensive overview of the most recent developments in chitosan-based tissue engineering, focusing on significant progress made in the last ten years. An exploration is conducted of the various techniques utilized in the modification of chitosan and the production of scaffolds, with an analysis of their effects on cellular reactions and tissue regeneration. The investigation focuses on the integration of chitosan with other biomaterials and the addition of bioactive agents to improve their functionalities. Upon careful analysis of the in vitro and in vivo research, it becomes evident that chitosan effectively stimulates cell adhesion, proliferation, and differentiation. Furthermore, we offer valuable perspectives on the dynamic realm of chitosan-based approaches tailored to distinct tissue categories, including nerve, bone, cartilage, and skin. The review concludes with a discussion of prospective developments, with particular attention given to possible directions for additional study, translational implementations, and the utilization of chitosan to tackle existing obstacles in the field of tissue engineering. This extensive examination provides a significant amalgamation of the advancements achieved over the previous decade and directs scholars towards uncharted territories in chitosan-based tissue engineering.

2.
Cureus ; 16(6): e63153, 2024 Jun.
Article in English | MEDLINE | ID: mdl-39055448

ABSTRACT

Purulent pericarditis secondary to bacterial infections is rarely seen in the current era of broad-spectrum antibiotics. Complications tend to be higher in comparison to viral or idiopathic etiologies in cases of bacterial pericarditis. Staphylococcal aureus, Streptococcus pneumoniae, or Haemophilus influenza are the more commonly identified pathogens in cases of bacterial pericarditis. We report a case of purulent pericarditis from Bacteroides thetaiotaomicron and Streptococcus milleri occurring in conjunction in a 56-year-old male. To our knowledge, there are no published case reports describing purulent pericarditis from B. thetaiotaomicron and S. milleri occurring simultaneously in the literature.

3.
Cureus ; 16(6): e63454, 2024 Jun.
Article in English | MEDLINE | ID: mdl-39077257

ABSTRACT

Pericarditis leading to constrictive physiology is rarely diagnosed given its vague presentation. Abnormal diastolic filling from a stiff pericardium brings about signs and symptoms consistent with right-sided heart failure. We report the case of a 57-year-old female who presented with worsening shortness of breath and signs of volume overload. Chest computed tomography showed evidence of pericardial calcifications with pericardial effusion. Further evaluation with right heart catheterization suggested findings diagnostic of constrictive pericarditis.

4.
Cureus ; 16(6): e63316, 2024 Jun.
Article in English | MEDLINE | ID: mdl-39070327

ABSTRACT

Cases of coronary vasospasm leading to ST-elevation myocardial infarction (STEMI) have been described. However, hypovolemia as an etiology of coronary vasospasm has been rarely reported. We report the case of a 57-year-old male who presented to the hospital with syncope, with electrocardiogram (EKG) findings suggestive of ST elevation in the inferior leads. The catheterization lab was activated, and coronary angiography was performed, which showed no evidence of thrombotic occlusion with diffuse disease in the right coronary artery and left anterior descending artery that resolved with aggressive fluid resuscitation.

5.
J Phys Chem A ; 128(24): 4814-4822, 2024 Jun 20.
Article in English | MEDLINE | ID: mdl-38857364

ABSTRACT

Inorganic molecular crystal (IMC) is a trending class of materials in which structural units comprise molecular cages or clusters bonded via van der Waal forces. The structure-property relationship in IMCs is less known due to the unusual assembly of molecular clusters in these materials. In this paper, the density functional theory-calculated electronic transport properties of the molecular clusters of antimony oxide (Sb4O6), phosphorus triselenide (P4Se3), and phosphorus trioxide (P4O6) are described in detail. The calculated values of highest occupied molecular orbital-lowest unoccupied molecular orbital gaps appeared as 5.487, 2.296, and 4.425 eV for Sb4O6, P4Se3, and P4O6, respectively. The work was carried out to explore the charge transport mechanism in IMCs in order to disclose their potential in practical applications. The calculations involved charge-transfer integral based on Marcus theory to compute the electronic coupling (V), reorganization energies (λ), and hopping rate (k) in the structures. The hopping rate for Sb4O6, P4Se3, and P4O6 is found as 8.49 × 10-12, 1.28 × 10-14, and 2.51 × 10-20 s-1, respectively. The transport properties of Sb4O6 are found better, which predicts the application of the relevant IMC for device grade applications. The findings of this study are important for future application of the IMCs in electronic and optoelectronic applications.

6.
Pharmaceuticals (Basel) ; 17(6)2024 Jun 07.
Article in English | MEDLINE | ID: mdl-38931416

ABSTRACT

The treatment adherence of narcotics-addicted individuals with reduced incidences of relapse can be enhanced by a sustained drug release formulation of antinarcotics. So far, different drug formulations have been reported with sustained drug release periods of 28 and 35 days. To further enhance this duration, different formulations of injectable hydrogels (IHs) have been developed by combining low molecular weight (LMW) and high molecular weight (HMW) chitosan (CS) with guar gum (GG) and crosslinking them by sodium bi phosphate dibasic. The structural, morphological, and physicochemical properties of LMW-CS IH, and HMW-CS IH were evaluated using Fourier transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TGA), scanning electron microscopy (SEM), and rheological, swelling, and biodegradation analysis. The HMW-CS IH showed high crosslinking, increased thermal stability, high mechanical strength, elevated swelling, and low biodegradation. The antinarcotic drugs naltrexone (NTX) and disulfiram (DSF) were loaded separately into the HMW-CS IH and LMW-CS IH. The release of NTX and DSF was investigated in phosphate buffer saline (PBS) and ethanol (0.3%, 0.4%, and 0.5%) over a 56-day period using an UV spectrophotometer. The drug release data were tested in zero-order, first-order, and Korsemeyer-Peppas mathematical models. In PBS, all prepared formulations followed non-Fickian drug release, while in ethanol, only NTX HMW-CS IH followed non-Fickian release in all three different concentrations of ethanol.

7.
J Fluoresc ; 2024 Jun 24.
Article in English | MEDLINE | ID: mdl-38913090

ABSTRACT

Fluorescent cytotoxic compounds with readout delivery are crucial in chemotherapy. The growing demands of these treatment strategies require the novel heterocyclic molecules with better selectivity alongside fluorescence marker potential. In this context, a series of nine isatin Schiff base derivatives 4a-i were synthesized, characterized and evaluated for UV-visible, fluorescence, thermal and bioanalysis in order to explore the effect of structure on their bioprofiles. The analogue 4d exhibited maximum cytotoxic activity on Hella cells with percentage inhibition of 83% at 50 µM and 100% at 150 µM concentrations while 4c showed minimum cytotoxic activity with the value of 19% at 50 µM and 22% at 150 µM concentrations. Meanwhile, 4g was found to exhibit maximum inhibition potential towards Vero Cells with the percentage inhibition values of 83 at 50 µM concentration. The overall SAR study showed that the para-fluoro-substituted isatin moieties exhibited the appreciable percentage inhibition while the least activity was delivered by the isatin derivatives with para-bromo substitution.

8.
Spectrochim Acta A Mol Biomol Spectrosc ; 317: 124450, 2024 Sep 05.
Article in English | MEDLINE | ID: mdl-38759392

ABSTRACT

In this study, AgNPs-loaded polyurethane-sodium alginate (PU-S/Alg) composite polymers were prepared by precipitation polymerization and in-situ reduction method. Their catalytic potential was evaluated for the reduction of methyl orange (MO), brilliant blue (BB), Rhodamine B (RhB), 4-nitroaniline (4-NA), and 4-nitrophenol (4-NP). Successful preparation of samples was confirmed by UV-Visible spectrophotometry (UV-Visible), Fourier transform infrared (FTIR), and Scanning electron microscopy (SEM) analysis. During the catalytic study, the value of kapp for the reduction of MO in the presence of NaBH4 and catalyst was found 0.488 min-1 while, in the presence of NaBH4 and catalyst alone, were found as 0.9 × 10-4 and 0.8 × 10-5 min-1, respectively which indicates the role of catalyst in making the reaction speedy. The value of kapp for the reduction of BB, RhB, 4-NA, and 4-NP was found as 0.764, 0.475, 0.212 and 0.757 min-1, respectively. Simultaneous reduction of dyes induced a decreased reaction completion time under the same reaction conditions. A slight increase in the value of kapp for the catalytic reduction of MO was also observed when reactions were performed in the presence of ionic media of different salts such as NaCl, KCl, CaCl2, and MnCl2. The rate of reduction of MO was increased with the increase in ionic strength of the medium. However, the presence of SDS (surfactant) in the reaction mixture induced the decreased activity of the catalyst and increased reaction completion time. The same value of kapp for the reduction of MO was observed in the case of freshly prepared and several days old nanocomposite catalyst. These results illustrate the stability and maintained catalytic potential of metal NPs for a prolonged time. Our reported catalyst also showed good potential for the treatment of dyes-polluted textile industry wastewater.

9.
Int J Biol Macromol ; 271(Pt 1): 132282, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38750855

ABSTRACT

Surface modified tissue engineered polypropylene / PP hernia meshes were fabricated by incorporating Bacterial cellulose / BC and chitosan / CS and phytochemical extracts. Under current practice, hernia and other traumatic injuries to the abdominal organs are clinically treated with surgical meshes. Often the foreign body reaction and infections result in relapse in patients which dictates additional reparative surgical procedures and pain. To improve the outcome of clinical restorative procedures new biomaterials with improved characteristics are required. The functionalized meshes were physically and chemically characterized using SEM, mechanical testing, FTIR and XRD. The antimicrobial activity was qualitatively and quantitatively tested using E. coli and S. aureus strains of bacteria. In vitro biocompatibility and wound healing effect of the modified meshes were performed using NIH3T3 fibroblast cell lines. Furthermore, tissue engineering potential of the meshes was evaluated using confocal fluorescent microscopy. In vivo implantation of the meshes was performed in male wistar rats for 21 days. Therefore, PP meshes with sustained drug delivery system augmented with anti-inflammatory and anti-microbial characteristics were developed. The coatings hereby not only increased the tensile strength of meshes but also prevented the modified meshes from causing infection. Current study resulted in CS-BC bioactive PP meshes loaded with phytochemicals which showed anti-inflammatory, antibacterial and wound healing potential. These meshes can be valuable to lessen the post-surgical complications of implanted PP mesh and thus reduce rejection and recurrence.


Subject(s)
Chitosan , Plant Extracts , Polypropylenes , Surgical Mesh , Tissue Engineering , Chitosan/chemistry , Animals , Mice , Polypropylenes/chemistry , NIH 3T3 Cells , Rats , Plant Extracts/chemistry , Plant Extracts/pharmacology , Tissue Engineering/methods , Male , Wound Healing/drug effects , Biocompatible Materials/chemistry , Biocompatible Materials/pharmacology , Escherichia coli/drug effects , Staphylococcus aureus/drug effects , Rats, Wistar , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Materials Testing , Tensile Strength
11.
J Fluoresc ; 2024 Apr 16.
Article in English | MEDLINE | ID: mdl-38625572

ABSTRACT

This study was based on the development of surface-based photoluminescence sensor for metal detection, quantification, and sample purification employing the solid sensory chip having the capability of metal entrapment. The Co(II), Cu(II) and Hg(II) sensitive fluorescence sensor (TP) was first synthesized and characterized its sensing abilities towards tested metal ions by using fluorescence spectral investigation while the synthesis and complexation of the receptor was confirmed by the chromogenic, optical, spectroscopic and spectrometric analysis. Under optical investigation, the ligand solution exhibited substantial chromogenic changes as well as spectral variations upon reacting with copper, cobalt, and mercuric ions, while these behaviors were not seen for the rest of tested metallic ions i.e., Na+, Ag+, Ni2+, Mn2+, Pd2+, Pb2+, Cd2+, Zn2+, Sn2+, Fe2+, Fe3+, Cr3+, and Al3+. These colorimetric alterations and spectral shifting could potentially be employed to detect and quantify these specific metal ions. After the establishment of the ligand's selective complexation ability towards selected metals, it was fabricated over the substituted porous silicon surface (FPS) keeping in view of the development of surface-based photoluminescence sensor (TP-FPS) for the selected metal sensation and entrapment to purify the sample just be putting off the metal entrapped sensory solid chip. Surface characterization and ligand fabrication was inspected by plan and cross sectional electron microscopic investigations, vibrational and electronic spectral analysis. The sensitivity of the ligand (TP) in the solution phase metal discrimination was determined by employing the fluorescence titration analysis of the ligand solution after progressive induction of Co2+, Cu2+, and Hg2+, which afford the detection limit values of 2.14 × 10- 8, 3.47 × 10- 8 and 3.13 × 10- 3, respectively. Concurrently, photoluminescence titration of the surface fabricated sensor (TP-FPS) revealed detection limit values of 3.14 × 10- 9, 7.43 × 10- 9, and 8.21 × 10- 4, respectively, for the selected metal ions.

12.
Sci Total Environ ; 929: 172632, 2024 Jun 15.
Article in English | MEDLINE | ID: mdl-38653412

ABSTRACT

The effectiveness of almond shell-derived biochar (ASB) in immobilizing soil heavy metals (HMs) and its impact on soil microbial activity and diversity have not been sufficiently studied. Hence, a pot study was carried out to investigate the effectiveness of ASB addition at 2, 4, and 6 % (w/w) on soil biochemical characteristics and the bioavailability of Cd, Cu, Pb, and Zn to tomato (Solanum lycopersicum L.) plants, as compared to the control (contaminated soil without ASB addition). The addition of ASB promoted plant growth (up to two-fold) and restored the damage to the ultrastructure of chloroplast organelles. In addition, ASB mitigated the adverse effects of HMs toxicity by decreasing oxidative damage, regulating the antioxidant system, improving soil physicochemical properties, and enhancing enzymatic activities. At the phylum level, ASB addition enhanced the relative abundance of Actinobacteriota, Acidobacteriota, and Firmicutes while decreasing the relative abundance of Proteobacteria and Bacteroidota. Furthermore, ASB application increased the relative abundance of several fungal taxa (Ascomycota and Mortierellomycota) while reducing the relative abundance of Basidiomycota in the soil. The ASB-induced improvement in soil properties, microbial community, and diversity led to a significant decrease in the DTPA-extractable HMs down to 41.0 %, 51.0 %, 52.0 %, and 35.0 % for Cd, Cu, Pb, and Zn, respectively, as compared to the control. The highest doses of ASB (ASB6) significantly reduced the metals content by 26.0 % for Cd, 78.0 % for Cu, 38.0 % for Pb, and 20.0 % for Zn in the roots, and 72.0 % for Cd, 67.0 % for Cu, 46.0 % for Pb, and 35.0 % for Zn in the shoots, as compared to the control. The structural equation model predicts that soil pH and organic matter are driving factors in reducing the availability and uptake of HMs. ASB could be used as a sustainable trial for remediation of HMs polluted soils and reducing metal content in edible plants.


Subject(s)
Antioxidants , Charcoal , Metals, Heavy , Microbiota , Prunus dulcis , Soil Microbiology , Soil Pollutants , Solanum lycopersicum , Charcoal/chemistry , Soil Pollutants/metabolism , Antioxidants/metabolism , Microbiota/drug effects , Biological Availability , Soil/chemistry
13.
J Fluoresc ; 2024 Mar 08.
Article in English | MEDLINE | ID: mdl-38457078

ABSTRACT

The design and development of a fluorescence sensor aimed at detecting and quantifying trace amounts of toxic transition metal ions within environmental, biological, and aquatic samples has garnered significant attention from diagnostic and testing laboratories, driven by the imperative to mitigate the health risks associated with these contaminants. In this context, we present the utilization of a heterocyclic symmetrical Schiff Base derivative for the purpose of fluorogenic and chromogenic detection of Co2+, Cu2+ and Hg2+ ions. The characterization of the ligand involved a comprehensive array of techniques, including physical assessments, optical analyses, NMR, FT-IR, and mass spectrometric examinations. The mechanism of ligand-metal complexation was elucidated through the utilization of photophysical parameters and FT-IR spectroscopic analysis, both before and after the interaction between the ligand and the metal salt solution. The pronounced alterations observed in absorption and fluorescence spectra, along with the distinctive chromogenic changes, following treatment with Co2+, Cu2+ and Hg2+, affirm the successful formation of complexes between the ligands and the treated metal ions. Notably, the receptor's complexation response exhibited selectivity towards Co(II), Cu(II), and Hg(II), with no observed chromogenic changes, spectral variations, or band shifts for the various tested metal ions, including Na+, Ag+, Ni2+, Mn2+, Pd2+, Pb2+, Cd2+, Zn2+, Sn2+, Fe2+, Fe3+, Cr3+ and Al3+. This absence of interaction between these metal ions and the ligand could be attributed to their compact or inadequately conducive conduction bands for complexation with the ligand's structural composition. To quantify the sensor's efficacy, fluorescence titration spectra were employed to determine the detection limits for Co2+, Cu2+ and Hg2+, yielding values of 2.92 × 10-8, 8.91 × 10-8, and 4.39 × 10-3 M, respectively. The Benesi-Hildebrand plots provided association constant values for the ligand-cobalt, ligand-copper, and ligand-mercury complexes as 0.74, 2.52, and 13.89 M-1, respectively.

14.
RSC Adv ; 14(14): 9799-9804, 2024 Mar 20.
Article in English | MEDLINE | ID: mdl-38528921

ABSTRACT

Chemical sensors have a wide range of applications in a variety of industries, particularly for sensing volatile organic compounds. This work demonstrates the fabrication of a chemical sensor based on graphene deposited on Cu foils using low-pressure chemical vapor deposition, following its transfer on oxidized silicon through a wet etching method. Scanning electron microscopy, Raman spectroscopy and UV-vis spectroscopy of the transferred graphene were performed. A device was fabricated by simply connecting the strips of a Cu tape along the two opposite edges of graphene, which acted as a chemical sensor. The sensor was exposed to different analytes, namely acetone, propanol, benzyl chloride, nitrobenzene, carbon tetrachloride and acetic acid. A relative change in the resistance of the device was observed, which was attributed to the interaction of analytes with graphene as it changes charge concentrations in the graphene lattice. The fabricated sensor showed a notable sensitivity and response time for all analytes, particularly a sensitivity as high as 231.1 for nitrobenzene and a response time as short as 6.9 s for benzyl chloride. The sensor was also tested for analyte leakage from containers for domestic, laboratory and industrial applications.

15.
Antibiotics (Basel) ; 13(3)2024 Feb 23.
Article in English | MEDLINE | ID: mdl-38534646

ABSTRACT

Growing antibiotic resistance complicates H. pylori eradication, posing a public health challenge. Inconclusive research on sociodemographic and clinical factors emphasizes the necessity for further investigations. Hence, this study aims to evaluate the correlation between demographic and clinical factors and the success rates of H. pylori eradication. A group of 162 H. pylori-positive patients were allocated randomly to receive either a ten-day moxifloxacin-based triple therapy or a levofloxacin-based sequential therapy. Eradication success was determined through the stool antigen test. Logistic regression analysis was utilized to figure out potential factors that contribute to H. pylori eradication success. Significantly higher H. pylori eradication rates were observed in the middle age group (COR: 3.671, p = 0.007), among females (p = 0.035), those with BMI ≥ 25 (COR: 2.011, p = 0.045), and non-smokers (COR: 2.718, p = 0.018). In multivariate analysis, age and smoking emerged as significant predictors (p < 0.05). Patients with comorbidities, excluding diabetes and hypertension (COR: 4.432, p = 0.019), dyspepsia (COR: 0.178, p < 0.001), and moxifloxacin triple therapy (COR: 0.194, p = 0.000), exhibited higher chances of eradication (p < 0.05). Further research is vital for tailored approaches to enhance eradication success.

16.
Am J Cardiol ; 218: 34-42, 2024 05 01.
Article in English | MEDLINE | ID: mdl-38432336

ABSTRACT

Radial artery occlusion (RAO) is a major impediment to reintervention in patients who underwent proximal transradial access (p-TRA) for coronary catheterization. Distal transradial access (d-TRA) at the level of snuffbox distal to the radial artery bifurcation is a novel alternative to p-TRA. We conducted an updated meta-analysis of all available randomized controlled trials (RCTs) to compare the incidence of RAO between p-TRA and d-TRA, along with access site-related complications. PubMed, Web of Science, and Google Scholar were searched for RCTs published since 2017 to October 2023 comparing d-TRA and p-TRA for coronary angiography and/or intervention. Risk ratios (RRs) and mean differences (MDs) with 95% confidence intervals were calculated using the random-effects model for procedural and clinical outcomes for the 2 approaches. A total of 18 RCTs with 8,205 patients (d-TRA n = 4,096, p-TRA n = 4,109) were included. The risk of RAO (RR 0.31, 0.21 to 0.46, p ≤0.001) and time to hemostasis (minutes) (MD -51.18, -70.62 to -31.73, p <0.001) was significantly lower in the d-TRA group. Crossover rates (RR 2.39, 1.71 to 3.32, p <0.001), access time (minutes) (MD 0.93, 0.50 to 1.37, p <0.001), procedural pain (MD 0.46, 0.13 to 0.79, p = 0.006), and multiple puncture attempts (RR 2.13, 1.10 to 4.11, p = 0.03) were significantly higher in the d-TRA group. The use of d-TRA for coronary angiography and/or intervention is associated with a lower risk of RAO at the forearm and may preserve p-TRA site for reintervention in selective patients by reducing the incidence of RAO.


Subject(s)
Arterial Occlusive Diseases , Percutaneous Coronary Intervention , Humans , Coronary Angiography/adverse effects , Randomized Controlled Trials as Topic , Radial Artery , Arterial Occlusive Diseases/epidemiology , Percutaneous Coronary Intervention/adverse effects , Treatment Outcome
17.
ACS Omega ; 9(6): 6527-6536, 2024 Feb 13.
Article in English | MEDLINE | ID: mdl-38371763

ABSTRACT

Tissue engineering is currently one of the fastest-growing areas of engineering, requiring the fabrication of advanced and multifunctional materials that can be used as scaffolds or dressings for tissue regeneration. In this work, we report a bilayer material prepared by electrospinning a hybrid material of poly(vinyl alcohol) (PVA) and bacterial cellulose (BC NFs) (top layer) over a highly interconnected porous 3D gelatin-PVA hydrogel obtained by a freeze-drying process (bottom layer). The techniques were combined to produce an advanced material with synergistic effects on the physical and biological properties of the two materials. The bilayer material was characterized using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and a water contact measurement system (WCMS). Studies on swelling, degradability, porosity, drug release, cellular and antibacterial activities were performed using standardized procedures and assays. FTIR confirmed cross-linking of both the top and bottom layers, and SEM showed porous structure for the bottom layer, random deposition of NFs on the surface, and aligned NFs in the cross section. The water contact angle (WCA) showed a hydrophilic surface for the bilayer material. Swelling analysis showed high swelling, and degradation analysis showed good stability. The bilayer material released Ag-sulfadiazine in a sustained and controlled manner and showed good antibacterial activities against severe disease-causing gram + ive and -ive (Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa) bacterial strains. In vitro biological studies were performed on fibroblasts (3T3) and human embryonic kidneys (HEK-293), which showed desirable cell viability, proliferation, and adhesion to the bilayer. Thus, the synergistic effect of NFs and the hydrogel resulted in a potential wound dressing material for wound healing and soft tissue engineering.

18.
J Mol Graph Model ; 129: 108742, 2024 06.
Article in English | MEDLINE | ID: mdl-38422823

ABSTRACT

Peroxisome proliferator-activated receptor gamma (PPAR-γ) serves as a nuclear receptor with a pivotal function in governing diverse facets of metabolic processes. In diabetes, the prime physiological role of PPAR-γ is to enhance insulin sensitivity and regulate glucose metabolism. Although PPAR-γ agonists such as Thiazolidinediones are effective in addressing diabetes complications, it is vital to be mindful that they are associated with substantial side effects that could potentially give rise to health challenges. The recent surge in the discovery of selective modulators of PPAR-γ inspired us to formulate an integrated computational strategy by leveraging the promising capabilities of both machine learning and in silico drug design approaches. In pursuit of our objectives, the initial stage of our work involved constructing an advanced machine learning classification model, which was trained utilizing chemical information and physicochemical descriptors obtained from known PPAR-γ modulators. The subsequent application of machine learning-based virtual screening, using a library of 31,750 compounds, allowed us to identify 68 compounds having suitable characteristics for further investigation. A total of four compounds were identified and the most favorable configurations were complemented with docking scores ranging from -8.0 to -9.1 kcal/mol. Additionally, the compounds engaged in hydrogen bond interactions with essential conserved residues including His323, Leu330, Phe363, His449 and Tyr473 that describe the ligand binding site. The stability indices investigated herein for instance root-mean-square fluctuations in the backbone atoms indicated higher mobility in the region of orthosteric site in the presence of agonist with the deviation peaks in the range of 0.07-0.69 nm, signifying moderate conformational changes. The deviations at global level revealed that the average values lie in the range of 0.25-0.32 nm. In conclusion, our identified hits particularly, CHEMBL-3185642 and CHEMBL-3554847 presented outstanding results and highlighted the stable conformation within the orthosteric site of PPAR-γ to positively modulate the activity.


Subject(s)
PPAR-gamma Agonists , Thiazolidinediones , Molecular Docking Simulation , Thiazolidinediones/chemistry , Binding Sites , PPAR gamma/agonists , PPAR gamma/metabolism
19.
J Vasc Access ; : 11297298231222314, 2024 Jan 08.
Article in English | MEDLINE | ID: mdl-38189215

ABSTRACT

Data comparing MANTA device with Perclose device for large bore arterial access closure is limited. We performed meta-analysis to compare safety and efficacy of the two devices in large (⩾14 Fr sheath) arteriotomy closure post-TAVR. Relevant studies were identified via PubMed, Cochrane, and EMBASE databases until June, 2022. Data was analyzed using random effect model to calculate relative odds of VARC-2 defined access-site complications and short-term (in-hospital or 30-day) mortality. A total of 12 studies (2 RCT and 10 observational studies) comprising 2339 patients were included. The odds of major vascular complications (OR 0.99, 95% CI 0.51-1.92; p = 0.98); life threatening and major bleeding (OR 0.77, 95% CI 0.45-1.33; p = 0.35); minor vascular complications (OR 1.37, 95% CI 0.63-2.99; p = 0.43); minor bleeding (OR 0.94, 95% CI 0.57-1.56; p = 0.82); device failure (OR 0.74, 95% CI 0.49-1.11; p = 0.14); hematoma formation (OR 0.76, 95% CI 0.33-1.75; p = 0.52); dissection, stenosis, occlusion, or pseudoaneurysm (OR 1.08, 95% CI 0.71-1.62; p = 0.73) and short-term mortality (OR 1.01, 95% CI 0.55-1.84; p = 0.98) between both devices were similar. MANTA device has a similar efficacy and safety profile compared to Perclose device.

20.
Polymers (Basel) ; 16(2)2024 Jan 11.
Article in English | MEDLINE | ID: mdl-38257013

ABSTRACT

In this study, a new epoxidized oil from Citrullus colocynthis seed oil (CCSO) was obtained for a potential application in the formulation of polyurethane coatings. Initially, the fatty acid composition of CCSO was determined by gas chromatography-mass spectrometry (GC-MS). Subsequently, the epoxidation of CCSO was performed with in situ generated peracetic acid, which was formed with hydrogen peroxide (30 wt.%) and glacial acetic acid and catalyzed with sulfuric acid. The reaction was continued at a molar ratio of 1.50:1.0 of hydrogen peroxide to double bond (H2O2:DB) for 6 h at a controlled temperature of 60 °C. The resulting epoxidized oil was then used to produce a bio-based polyol by hydroxylation. The molar ratio of epoxy groups to methanol and distilled water was maintained at 1:11:2, and the reaction was carried out for 2 h at a controlled temperature of 65 °C. The major functional groups of the epoxidized oil and its polyol were validated by Fourier-transform infrared (FT-IR) and proton nuclear magnetic resonance (1H NMR) spectroscopies. A polyurethane (PU) coating was produced from the synthesized polyol and 3HDI isocyanurate, keeping the molar ratio of NCO:OH at 1:1. The resulting PU coating was then applied to glass and aluminum panels (Al 1001). After the film was cured, the properties of the PU coating were evaluated using various techniques including pencil hardness, pendulum hardness, adhesion, gloss, chemical resistance, and EIS tests. The results show that the PU coating obtained from CCSO is a promising new raw material for coating applications.

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