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1.
Proteomics ; 24(7): e2300282, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38135888

RESUMEN

The use of mass spectrometry and antibody-based sequencing technologies at the single-cell level has led to an increase in single-cell proteomic datasets. Integrating these datasets is crucial to eliminate the batch effect that often arises due to their limited sequencing molecules. Although methods for horizontally integrating high-dimensional single-cell transcriptomic datasets can also be applied to single-cell proteomic datasets, a specialized approach explicitly tailored for low-dimensional proteomic datasets may enhance the integration process. Here, we introduce SCPRO-HI, an algorithm for the horizontal integration of antibody-based single-cell proteomic datasets. It utilizes a hierarchical cell anchoring technique to match cells based on the similarity of distinctive proteins for constituting cell clusters. A novel variational auto-encoder model is employed for correcting batch effects on the protein abundances, eliminating the need for mapping them into a new domain. Moreover, we propose a technique for extending the algorithm to high-dimensional datasets. The performance of the SCPRO-HI algorithm is evaluated using simulated and real-world single-cell proteomic datasets. The findings demonstrate our algorithm outperforms state-of-the-art methods, achieving a 75% higher silhouette score while preserving HVPs 13% better. Furthermore, the algorithm shows competitive performance in transcriptomic datasets, suggesting potential for integrating high-dimensional mass-spectrometry-based proteomic datasets.


Asunto(s)
Proteínas , Proteómica , Proteómica/métodos , Algoritmos , Perfilación de la Expresión Génica/métodos , Transcriptoma , Análisis de la Célula Individual
2.
Chem Biodivers ; 21(2): e202301753, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38156418

RESUMEN

In current study antioxidant, antidiabetic, antimicrobial, anticholinesterase, and human carbonic anhydrase I, and II (hCA I and II) isoenzymes inhibition activities of Astrodaucus orientalis different parts were investigated. Achetylcholinesterse (AChE) and butyrylcholinesterse (BChE) inhibitory activities of octyl acetate were determined via molecular docking. Quantitative assessment of specific secondary metabolites was conducted using LC-MS/MS. An examination of chemical composition of essential oils was carried out by GC-MS/MS. A thorough exploration of plant's anatomical characteristics was undertaken. The highest phenolics level and DPPH antioxidant capacity were seen in root and fruit. Fruit essential oil demonstrated the highest AChE inhibition (44.13±3.61 %), while root dichloromethane sub-extract had the best inhibition towards BChE (86.13±2.58 %). Cytosolic hCA I, and II isoenzymes were influentially inhibited by root oil with 1.974 and 2.207 µM IC50 values, respectively. The most effective extracts were found to be root all extract/sub-extracts (except water) against C. tropicalis and C. krusei strains with MIC value 160>µg/mL. Sabinene (29.4 %), α-pinene (20.2 %); octyl acetate (54.3 %); myrcene (28.0 %); octyl octanoate (71.3 %) were found principal components of aerial parts, roots, flowers, and fruits, respectively. Flower essential oil, fruit dicloromethane and ethyl acetate exhibited potent α-glucosidase inhibitory activity with 900, 40, and 937 µg/mL IC50 values, respectively.


Asunto(s)
Acetatos , Enfermedad de Alzheimer , Diabetes Mellitus , Aceites Volátiles , Humanos , Antioxidantes/farmacología , Antioxidantes/química , Simulación del Acoplamiento Molecular , Cromatografía Liquida , Espectrometría de Masas en Tándem , Enfermedad de Alzheimer/tratamiento farmacológico , Isoenzimas , Fitoquímicos/farmacología , Aceites Volátiles/farmacología , Aceites Volátiles/química , Extractos Vegetales/farmacología , Extractos Vegetales/química
3.
Chem Biodivers ; 20(1): e202200509, 2023 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-36514919

RESUMEN

Salicylic acid is an NSAID with serious side effects on the GIS. The side effects of salicylic acid on the GIS are slightly reduced by acetylating salicylic acid. 12 new ester analogs of salicylic acid were synthesized with high yields in this study. The chemical structures of the synthesized compounds were characterized by 1 H-NMR, 13 C-NMR, and HRMS spectra. The inhibitory potential of the compounds was evaluated on COXs by in vitro and in silico studies. The COX2 inhibitory activity of the most potent inhibitor MEST1 (IC50 : 0.048 µM) was found to be much higher than the COX2 inhibitory activity of aspirin (IC50 : 2.60 µM). In docking studies, the strongest inhibitor among the compounds synthesized was predicted to be MEST1, with the lowest binding energy. Docking studies revealed that MEST1 extends from the hydrophobic channel to the top of the cyclooxygenase active site, forming various interactions with residues in the binding pocket.


Asunto(s)
Inhibidores de la Ciclooxigenasa 2 , Ácido Salicílico , Inhibidores de la Ciclooxigenasa 2/química , Ácido Salicílico/farmacología , Ésteres/farmacología , Simulación del Acoplamiento Molecular , Antiinflamatorios no Esteroideos/farmacología , Ciclooxigenasa 2/metabolismo , Relación Estructura-Actividad , Estructura Molecular
4.
Bioorg Chem ; 120: 105647, 2022 03.
Artículo en Inglés | MEDLINE | ID: mdl-35121556

RESUMEN

Alzheimer's disease (AD) is known as one of the most devastating neurodegenerative disease diagnosed for the old-aged people and cholinesterase inhibitors (ChEI) can be used as an effective palliative treatment for AD. A range of novel monomeric and dimeric indole based thiosemicarbazone derivatives 17-28 was synthesized in order to target cholinesterases (ChE). Biological importance of the targeted compounds 17-28 was investigated by employing the acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes along with three different antioxidant property determination assays, namely DPPH free radical scavenging, ABTS cationic radical decolarization, and CUPRAC cupric reducing antioxidant capacity. The compounds 18 and 19 displayed the best inhibitor activity against BChE with IC50 values of 7.42 and 1.95 µM, respectively. The antioxidant potentials were found to be moderate for DPPH and ABTS assays and the compounds 28 and 18 were the most potent candidates for both antioxidant assays. Cupric reducing capacity was the most promising assay and the compounds 25, 26 and 28 provided better inhibition values than all the standards. Further binding mode and affinity studies performed by molecular docking and molecular dynamics simulations. Accordingly, the compound 19 is the most plausible candidate that can compete with galantamine (GNT), a common pharmaceutics targeting both cholinesterase enzymes.


Asunto(s)
Enfermedad de Alzheimer , Enfermedades Neurodegenerativas , Tiosemicarbazonas , Acetilcolinesterasa/metabolismo , Anciano , Antioxidantes/química , Butirilcolinesterasa/metabolismo , Inhibidores de la Colinesterasa/química , Humanos , Persona de Mediana Edad , Simulación del Acoplamiento Molecular , Simulación de Dinámica Molecular , Tiosemicarbazonas/farmacología
5.
Mol Divers ; 26(2): 1201-1212, 2022 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-34165688

RESUMEN

In this study, a total of 18 new benzamide/ nicotinamide/ cinnamamide derivative compounds were designed and synthesized for the first time (except B1 and B5) by conventional and microwave irradiation methods. The chemical structures of the synthesized compounds were characterized by 1H NMR, 13C NMR, and HRMS spectra. In vitro acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibition effects of the compounds were evaluated to find out new possible drug candidate molecule/s. According to the inhibition results, the IC50 values of the compounds synthesized were in the range of 10.66-83.03 nM towards AChE, while they were in the range of 32.74-66.68 nM towards BuChE. Tacrine was used as the reference drug and its IC50 values were 20.85 nM and 15.66 nM towards AChE and BuChE, respectively. The most active compounds B4 (IC50: 15.42 nM), N4 (IC50: 12.14 nM), and C4 (IC50: 10.67 nM) in each series towards AChE were docked at the binding site of AChE enzyme to explain the inhibitory activities of each series. On the other hand, the compounds B4, N4, and C4 showed satisfactory pharmacokinetic properties via the prediction of ADME profiles.


Asunto(s)
Butirilcolinesterasa , Inhibidores de la Colinesterasa , Acetilcolinesterasa/metabolismo , Benzamidas , Butirilcolinesterasa/metabolismo , Inhibidores de la Colinesterasa/química , Inhibidores de la Colinesterasa/farmacología , Cinamatos , Simulación del Acoplamiento Molecular , Niacinamida/farmacología , Relación Estructura-Actividad
6.
Chem Biodivers ; 19(6): e202200015, 2022 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-35470963

RESUMEN

The major cholinesterase enzymes, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), are important in the therapy of Alzheimer's disease (AD) based on the cholinergic hypothesis. As a result, in recent years, the investigation of dual cholinesterase inhibition methods has become important among scientists. In this study, novel N-(4-chlorobenzyl)-3,4-dimethoxy-N-(m-substituted)benzamide derivatives were synthesized. Then, inhibitory properties of these derivatives were examined in human AChE and BuChE in vitro and possible interactions were determined by molecular docking studies. All benzamide derivatives were exhibited dual inhibitory character and high BBB permeability. The most effective inhibitor was found as N7 for both AChE and BuChE with IC50 values of 1.57 and 2.85 µM, respectively. Besides the most potent inhibitor was predicted as N7 in terms of binding energies with -12.18 kcal/mol and -9.92 kcal/mol, respectively. The reason for these results is that bromine (N7) is the bulkiest molecule among the other substituted groups. These derivatives could be exploited to develop new medications for the treatment of central nervous system-related diseases as AD by acting as dual inhibitors of AChE and BChE.


Asunto(s)
Enfermedad de Alzheimer , Inhibidores de la Colinesterasa , Acetilcolinesterasa/metabolismo , Enfermedad de Alzheimer/tratamiento farmacológico , Benzamidas , Butirilcolinesterasa/metabolismo , Inhibidores de la Colinesterasa/química , Humanos , Simulación del Acoplamiento Molecular , Estructura Molecular , Relación Estructura-Actividad
7.
Saudi Pharm J ; 28(1): 1-14, 2020 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-31920428

RESUMEN

In current study is done antioxidant, anticholinesterase, and carbonic anhydrase isoenzymes I and II inhibition assays, screening of biological active compounds and electronic microscopy analysis of secretory canals of fruits, flowers, roots, and aerial parts extracts and essential oils of Angelica purpurascens. Phenolic constituents, antioxidant, and anti-lipid peroxidation potentials of variants were estimated by 1,1-diphenyl-2-picrylhydrazyl (DPPH) and thiobarbituric acid (TBA) processes. Cholinesterase inhibition effect was detected through Ellman's method. The GC/ Mass Spectrometry (MS) and gas chromatography (GC)-flame Ionization Detector (FID) was used for essential oils analysis. NMR techniques was used for identification of the isolated compounds. The fruit hexane and dichloromethane fractions exhibited a greater antioxidant capacity and total phenolic content. The dichloromethane fraction of fruit demonstrated the most higher acetylcholinesterase inhibition (39.86 ± 2.63%), while the fruit hexane fraction displayed the best inhibition towards butyrylcholinesterase (84.02 ± 1.28%). Cytosolic isoenzymes of human carbonic anhydrase (hCA) I, and II isoenzymes were influentially suppressed by flower and fruit dichloromethane fractions with 1.650 and 2.020 µM IC50 values, respectively. The electronic microscopy analysis of secretory canals found that the small number of secretory canals were at leaf while the largest shape of secretory canals was at the fruit. The secretory canals of roots, aerial parts, and fruits include more monoterpene hydrocarbons, while the canals, existing in the flowers are qualified by a higher presence of sesquiterpenes ß-caryophyllene (12.1%), germacrene D (4.5%) and ether octyl acetate (11.9%). The highest level of monoterpene ß-phellandrene (47.6%) and limonene (8.2%) were found in the fruit essential oil. The next isolated compounds from fruits of A. purpurascens like stigmasterol, ß-sitosterol, bergapten, and oxypeucedanin have shown high anticholinesterase and antioxidant activities.

8.
Molecules ; 24(4)2019 Feb 17.
Artículo en Inglés | MEDLINE | ID: mdl-30781573

RESUMEN

Coumarins and essential oils are the major components of the Apiaceae family and the Zosima genus. The present study reports anticholinesterase and antioxidant activities of extracts and essential oils from aerial parts, roots, flowers, fruits and coumarins-bergapten (1); imperatorin (2), pimpinellin (3) and umbelliferone (4)-isolated of the roots from Zosima absinthifolia. The investigation by light and scanning electron microscopy of the structures of secretory canals found different chemical compositions in the various types of secretory canals which present in the aerial parts, fruits and flowers. The canals, present in the aerial parts, are characterized by terpene hydrocarbons, while the secretory canals of roots, flowers and fruits include esters. Novel data of a comparative study on essential oils constituents of aerial parts, roots, flowers and fruits of Z. absinthfolia has been presented. The roots and fruits extract showed a high content of total phenolics and antioxidant activity. The GC-FID and GC-MS analysis revealed that the main components of the aerial parts, roots, flowers and fruits extracts were octanol (8.8%), octyl octanoate (7.6%), octyl acetate (7.3%); trans-pinocarvyl acetate (26.7%), ß-pinene (8.9%); octyl acetate (19.9%), trans-p-menth-2-en-1-ol (4.6%); octyl acetate (81.6%), and (Z)-4-octenyl acetate (5.1%). The dichloromethane fraction of fruit and flower essential oil was characterized by the highest phenolics level and antioxidant activity. The dichloromethane fraction of fruit had the best inhibition against butyrylcholinesterase enzyme (82.27 ± 1.97%) which was higher then acetylcholinesterase inhibition (61.09 ± 4.46%) of umbelliferone. This study shows that the flowers and fruit of Z. absinthifolia can be a new potential resource of natural antioxidant and anticholinesterase compounds.


Asunto(s)
Apiaceae/química , Cumarinas/química , Conformación Molecular , Simulación del Acoplamiento Molecular , Aceites Volátiles/química , Extractos Vegetales/química , Aceites de Plantas/química , Enfermedad de Alzheimer , Antioxidantes/química , Antioxidantes/farmacología , Antagonistas Colinérgicos/química , Antagonistas Colinérgicos/farmacología , Cumarinas/aislamiento & purificación , Fitoquímicos/química
9.
J Enzyme Inhib Med Chem ; 31(sup2): 13-23, 2016.
Artículo en Inglés | MEDLINE | ID: mdl-27226239

RESUMEN

The aim of this study was to design new molecules and evaluate their anticholinesterase and amyloid beta (Aß1-42) inhibition activities as multifunctional drug candidates for the treatment of Alzheimer's disease (AD). A series of 5,6-dimethoxy-1H-indene-2-carboxamides (1-22) was synthesized; cholinesterase inhibitory activities of the compounds were measured according to Ellman's colorimetric assay, while the thioflavin T assay was used for measuring the inhibition of Aß1-42 aggregation. The results revealed that most compounds showed higher inhibitory activity against BuChE than AChE. Compounds 20 and 21 were found to be the most potent BuChE inhibitors with respective IC50 values of 1.08 and 1.09 µM. Compounds 16, 20, 21 and 22 exhibited remarkable inhibition of Aß1-42 aggregation. Kinetic analysis showed that the most potent BuChE inhibitor (20) acted as a noncompetitive inhibitor. Docking studies suggested that inhibitor 20 displayed many potential hydrogen-bondings with the PAS of BuChE. These results suggest that compound 20 may be an especially promising multifunctional drug for the prevention and treatment of AD.


Asunto(s)
Enfermedad de Alzheimer/tratamiento farmacológico , Inhibidores de la Colinesterasa/farmacología , Diseño de Fármacos , Indenos/farmacología , Acetilcolinesterasa/metabolismo , Enfermedad de Alzheimer/metabolismo , Enfermedad de Alzheimer/prevención & control , Péptidos beta-Amiloides/antagonistas & inhibidores , Péptidos beta-Amiloides/metabolismo , Butirilcolinesterasa/metabolismo , Inhibidores de la Colinesterasa/síntesis química , Inhibidores de la Colinesterasa/química , Relación Dosis-Respuesta a Droga , Humanos , Indenos/síntesis química , Indenos/química , Cinética , Estructura Molecular , Fragmentos de Péptidos/antagonistas & inhibidores , Fragmentos de Péptidos/metabolismo , Relación Estructura-Actividad
10.
Bioorg Med Chem Lett ; 25(23): 5576-82, 2015 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-26514744

RESUMEN

Amyloid beta (Aß) and cholinesterase enzymes (AChE, BuChE) are important biological targets for the effective treatment of Alzheimer's disease. In this study, the aim was to synthesize new donepezil-like secondary amide compounds that display a potent inhibition of cholinesterases and Aß with antioxidant and metal chelation abilities. All test compounds showed activities against both ChEs and ß1-42 inhibition. The most encouraging compound, 20, is an AChE inhibitor with high anti-aggregation activity (55.3%). Based on the results, compound 20 may be a promising structure in further research for new anti-Alzheimer's agents.


Asunto(s)
Enfermedad de Alzheimer/tratamiento farmacológico , Diseño de Fármacos , Indanos/síntesis química , Piperidinas/síntesis química , Amidas/síntesis química , Amidas/química , Amidas/farmacología , Péptidos beta-Amiloides/química , Dominio Catalítico , Inhibidores de la Colinesterasa/síntesis química , Inhibidores de la Colinesterasa/química , Donepezilo , Indanos/química , Indanos/uso terapéutico , Concentración 50 Inhibidora , Modelos Moleculares , Piperidinas/química , Piperidinas/uso terapéutico , Relación Estructura-Actividad
11.
J Enzyme Inhib Med Chem ; 30(4): 671-8, 2015.
Artículo en Inglés | MEDLINE | ID: mdl-25431144

RESUMEN

Several new oxalamide and 2-butenediamide derivatives have been designed, synthesized and evaluated as the acetyl- and butyryl-cholinesterase inhibitors for Alzheimer's disease. The enzyme inhibitory activity of the synthesized compounds was measured using Ellman's colorimetric method. It was revealed that compound 1a (N,N'-bis-(4-chloro-benzyl)-N,N'-diphenyl-oxalamide) showed maximum activity against BuChE with a half maximal inhibitory concentration (IC50) = 1.86 µM and compound 2a (but-2-enedioic acid bis-[(4-chloro-benzyl)-phenyl-amide]) exhibited optimum AChE (IC50 = 1.51 µM) inhibition with a high-selectivity index. To better understand the enzyme-inhibitor interaction of the most active compounds towards cholinesterase, molecular modelling studies were carried out. Docking simulations revealed that inhibitors 1a and 2a targeted both the catalytic active site and the peripheral anionic site of 1ACJ and 1P0I.


Asunto(s)
Acetilcolinesterasa/efectos de los fármacos , Amidas/farmacología , Inhibidores de la Colinesterasa/farmacología , Amidas/química , Simulación del Acoplamiento Molecular
12.
Chem Pharm Bull (Tokyo) ; 63(3): 210-7, 2015.
Artículo en Inglés | MEDLINE | ID: mdl-25757492

RESUMEN

A novel series of meta-substituted ethanediamide and 2-butenediamide derivatives were synthesized and tested for their ability to inhibit electric eel acetylcholinesterase (AChE) and equine serum butyrylcholinesterase (BuChE). The synthesized compounds were evaluated against ChE enzymes using the colorimetric method described by Ellman et al. (Biochem. Pharmacol., 7, 1961). It was revealed that some synthesized compounds exhibited high anticholinesterase activity, among which compounds 1f and 2f were the most active inhibitors against BuChE (IC50 value=1.47 µM) and AChE (IC50 value=2.09 µM), respectively. Docking simulations revealed that the inhibitors 1f and 2f are capable of simultaneously binding the peripheral anionic site as well as the catalytic anionic site of both ChE enzymes. These derivatives are considered interesting candidates for Alzheimer's disease treatment.


Asunto(s)
Química Farmacéutica/métodos , Inhibidores de la Colinesterasa/síntesis química , Crotonatos/síntesis química , Microondas , Oxalatos/síntesis química , Sitios de Unión , Inhibidores de la Colinesterasa/metabolismo , Crotonatos/metabolismo , Oxalatos/metabolismo
13.
Healthcare (Basel) ; 12(6)2024 Mar 14.
Artículo en Inglés | MEDLINE | ID: mdl-38540615

RESUMEN

Examining the workload and working conditions of healthcare workers is crucial regarding the quality of the work life of employees and the quality of services provided. This study aims to determine the effects of the perceptions of workload on the quality of work life of health personnel working in two different tertiary hospitals affiliated with the Ministry of Health and the Higher Education Institution in Türkiye with structural equation modeling. This study was conducted in two hospitals in Malatya province: Inönü University Turgut Özal Medical Center affiliated with the Higher Education Institution and Malatya Training and Research Hospital affiliated with the Ministry of Health. The mean score of the Individual Workload Perception Scale was 106.18 ± 16.5, and the mean score of the Work-related Quality of Life Scale was 66.39 ± 15.33. Total workload scores had a statistically significant positive effect on total quality of work life scores (ß1 = 0.98; p = 0.001). It was concluded that there was a statistically significant relationship between workload and quality of work life and age, unit of employment, working time in the profession, and hospital type.

14.
Photochem Photobiol ; 2024 Feb 05.
Artículo en Inglés | MEDLINE | ID: mdl-38314442

RESUMEN

In this study, we investigate the intricate regulatory mechanisms underlying the circadian clock in Drosophila, focusing on the light-induced conformational changes in the cryptochrome (DmCry). Upon light exposure, DmCry undergoes conformational changes that prompt its binding to Timeless and Jetlag proteins, initiating a cascade crucial for the starting of a new circadian cycle. DmCry is subsequently degraded, contributing to the desensitization of the resetting mechanism. The transient and short-lived nature of DmCry protein-protein interactions (PPIs), leading to DmCry degradation within an hour of light exposure, presents a challenge for comprehensive exploration. To address this, we employed proximity-dependent biotinylation techniques, combining engineered BioID (TurboID) and APEX (APEX2) enzymes with mass spectrometry. This approach enabled the identification of the in vitro DmCry interactome in Drosophila S2 cells, uncovering several novel PPIs associated with DmCry. Validation of these interactions through a novel co-immunoprecipitation technique enhances the reliability of our findings. Importantly, our study suggests the potential of this method to reveal additional circadian clock- or magnetic field-dependent PPIs involving DmCry. This exploration of the DmCry interactome not only advances our understanding of circadian clock regulation but also establishes a versatile framework for future investigations into light- and time-dependent protein interactions in Drosophila.

15.
J Heart Valve Dis ; 22(5): 660-4, 2013 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-24383377

RESUMEN

BACKGROUND AND AIM OF THE STUDY: The study aim was to evaluate the immediate and long-term results of single inflation using a larger balloon size in patients with symptomatic rheumatic mitral stenosis (MS) METHODS: Among a study population of 231 patients with MS, percutaneous balloon mitral valvuloplasty (PBMV) was performed using the Inoue balloon technique. The ideal balloon size was measured according to the patients' height. Patients were allocated at random to two groups: a stepwise method was used in 115 patients (group 1), and a single-inflation method (with +2 mm larger balloon size) in 116 patients (group 2). Follow up was scheduled at six-month intervals for the first year, and annually thereafter. Patients were followed up until 2009. RESULTS: The mitral valve area (MVA) was increased from pre-PBMV values of 1.2 +/- 0.3 cm2 and 1.1 +/- 0.21 cm2 in groups 1 and 2, respectively, to post-PBMV values of 1.9 +/- 0.34 cm2 and 2.0 +/- 0.28 cm2 in groups 1 and 2, respectively; the increase in MVA for each group was statistically significant (p < 0.01) The mean transmitral pressure gradient (MMG) was decreased from pre-PBMV values of 14.1 +/- 5.5 mmHg and 13.2 +/- 5.9 mmHg in groups 1 and 2, respectively, to post-PBMV values of 5.9 +/- 2.3 mmHg and 5 +/- 2.5 mmHg in groups 1 and 2, respectively. One patient in group 2 underwent surgery due to severe mitral regurgitation. The procedure time was significantly shorter in group 2 (32 +/- 11.5 min versus 25 +/- 11 min; p < 0.001). The mean follow up duration was 49.5 +/- 19.2 months (range: 24-84 months). At the last follow up examination, the MVA was shown to be significantly larger in group 2 than in group 1 (1.65 +/- 0.3 versus 1.42 +/- 0.34 cm2; p = 0.02), while the MMG was lower (9 +/- 3.6 versus 6.7 +/- 3 mmHg; p = 0.017). CONCLUSION: The study results suggested that using a +2 mm larger balloon size with single overinflation may represent an alternative and effective therapy, with a shorter procedure time.


Asunto(s)
Valvuloplastia con Balón/instrumentación , Cateterismo Cardíaco/métodos , Adhesión a Directriz , Insuficiencia de la Válvula Mitral/terapia , Estenosis de la Válvula Mitral/terapia , Guías de Práctica Clínica como Asunto , Adulto , Ecocardiografía Doppler , Diseño de Equipo , Femenino , Estudios de Seguimiento , Humanos , Masculino , Insuficiencia de la Válvula Mitral/diagnóstico por imagen , Estenosis de la Válvula Mitral/diagnóstico por imagen , Estudios Retrospectivos , Resultado del Tratamiento
16.
J Appl Biomater Funct Mater ; 20: 22808000221086493, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35289214

RESUMEN

OBJECTIVE: The aim of this study was to evaluate the effect of different polishing systems on the colour stability of different laminate veneer blocks for chair-side CAD-CAM after ultraviolet (UV) ageing. METHODS: About 240 sample (13 × 13 × 0.7) were prepared from four different CAD-CAM blocks IPS e.max CAD (IP), IPS Empress CAD (IE), Mark II (M) and Lava Ultimate (LU)) with A1 shade. Each group was divided into five subgroups (n = 12) according to the control (C) and four different polishing system: Sof-Lex (S), Edenta (E), Identoflex (I) and Zircon Brite (Z). Surface roughnesses (Ra) were measured by a profilometer before and after polishing. The baseline colour values were recorded according to the CIELab system. The colour coordinates (L*, a* and b*) of the samples were measured before and after UV ageing, and colour differences (ΔE00) were calculated by using the CIEDE2000 colour difference formula. A two-way ANOVA and Tukey test methods were used to analyse the data (α = 0.05). RESULTS: A significant interaction was observed between CAD-CAM blocks and polishing system (p < 0.001). The higher Ra and colour difference was calculated in LU in the Z group after polished and the lower Ra and colour difference was calculated in the IP in the S group after polished. For the IP group, the glazing procedure showed higher Ra and ΔE values with Z group than polished S system, whereas there is no statistical differences. CONCLUSION: It is concluded that polishing with the Sof-Lex system improves significantly smoothness and colour stability. However, there is no success in using the Zircon Brite polishing system.


Asunto(s)
Diseño Asistido por Computadora , Análisis de Varianza , Color , Ensayo de Materiales , Propiedades de Superficie
17.
Acta Crystallogr A Found Adv ; 78(Pt 3): 283-291, 2022 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-35502719

RESUMEN

The projections of lattices may be used as models of quasicrystals, and the particular affine extension of the H2 symmetry as a subgroup of A4, discussed in this work, presents a different perspective on fivefold symmetric quasicrystallography. Affine H2 is obtained as the subgroup of affine A4. The infinite discrete group with local dihedral symmetry of order 10 operates on the Coxeter plane of the root and weight lattices of A4 whose Voronoi cells tessellate the 4D Euclidean space possessing the affine A4 symmetry. Facets of the Voronoi cells of the root and weight lattices are identified. Four adjacent rhombohedral facets of the Voronoi cell V(0) of A4 project into the decagonal orbit of H2 as thick and thin rhombuses where long diagonals of the rhombohedra serve as reflection line segments of the reflection operators of H2. It is shown that the thick and thin rhombuses constitute the finite fragments of the tiles of the Coxeter plane with the action of the affine H2 symmetry. Projection of the Voronoi cell of the weight lattice onto the Coxeter plane tessellates the plane with four different tiles: thick and thin rhombuses with different edge lengths obtained from the projection of the square faces and two types of hexagons obtained from the projection of the hexagonal faces of the Voronoi cell. The structure of the local dihedral symmetry H2 fixing a particular point on the Coxeter plane is determined.

18.
Comput Biol Chem ; 101: 107755, 2022 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-36037723

RESUMEN

Computational identification of human-virus protein-protein interactions (PHIs) is a worthwhile step towards understanding infection mechanisms. Analysis of the PHI networks is important for the determination of pathogenic diseases. Prediction of these interactions is a popular problem since experimental detection of PHIs is both time-consuming and expensive. The available methods use biological features like amino acid sequences, molecular structure, or biological activities for prediction. Recent studies show that the topological properties of proteins in protein-protein interaction (PPI) networks increase the performance of the predictions. The basic network projections, random-walk-based models, or graph neural networks are used for generating topologically enriched (hybrid) protein embeddings. In this study, we propose a three-stage machine learning pipeline that generates and uses hybrid embeddings for PHI prediction. In the first stage, numerical features are extracted from the amino acid sequences using the Doc2Vec and Byte Pair Encoding method. The amino acid embeddings are used as node features while training a modified GraphSAGE model, which is an improved version of the graph convolutional network. Lastly, the hybrid protein embeddings are used for training a binary interaction classifier model that predicts whether there is an interaction between the given two proteins or not. The proposed method is evaluated with comprehensive experiments to test its functionality and compare it with the state-of-art methods. The experimental results on the benchmark dataset prove the efficiency of the proposed model by having a 3-23% better area under curve (AUC) score than its competitors.


Asunto(s)
Redes Neurales de la Computación , Virus , Humanos , Aprendizaje Automático , Proteínas , Área Bajo la Curva
19.
Iran J Pharm Res ; 21(1): e123824, 2022 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-35765507

RESUMEN

Iodine-based contrast agents have limitations such as rapid clearance, potential renal toxicity, non-specific blood pool distribution, headache, and adverse events. Nowadays, it is quite common to work with nanosized systems in order to eliminate the side effects of contrast agents. This study aims to synthesize a new iodinated contrast agent, prepare its nanosuspension by using the nanoprecipitation method, investigate its cytotoxicity, and compare its contrast properties with iohexol and iopromide through in-vitro experiments. The values of nanosuspension particle size and zeta potential have been found to be ~ 400 nm and ~ (-) 15 mV, respectively. In-vitro cellular viability findings indicated that the nanosuspension has lower cytotoxicity than the iohexol and iopromide. In the computed tomography (CT) imaging study of contrast features of nanosuspensions and two commercial agents, which involved 86 CT examinations using 31 parameters and two different devices, it was found that iodine had a stronger presence in its nanosuspension form than in iohexol and iopromide, which were the other two commercial contrast agents, when used in equal amounts. Thus in the case of nanosuspensions contrast brightness was achieved by using less iodine, while the same brightness could be obtained with higher doses of iohexol and iopromide. CT imaging therefore be done without much chemical use, which indicates that it may witness fewer side effects in the future.

20.
Nat Prod Res ; 36(5): 1296-1299, 2022 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-33305606

RESUMEN

This article presents the evaluation of anticholinesterase effects of aerial parts of Epilobium angustifolium, E. stevenii and E. hirsutum and isolated flavonoids from E. angustifolium, and quantification of the flavonoids by HPLC. Besides, the highest acetylcholinesterase inhibition was seen in the EtOAc sub-extracts of E. angustifolium and E. stevenii (36.51 ± 1.88 and 39.89 ± 3.09%, respectively), whereas EtOAc sub-extract of E. angustifolium had the best butyrylcholinesterase inhibition (62.09 ± 1.98%). Hyperoside showed strong inhibition activity on both enzymes. The active EtOAc sub-extract of E. angustifolium was quantitatively analyzed for their content of hyperoside (quercetin-3-O-ß-D-galactoside) by HPLC. The content of hyperoside in EtOAc sub-extract of E. angustifolium was detected as 3.312%. The anatomical structures of the stem, leaf, sepal, petal, anther, and filament of E. angustifolium were investigated. The anatomical properties given in this study provide a description of E. angustifolium.[Formula: see text].


Asunto(s)
Epilobium , Acetilcolinesterasa , Butirilcolinesterasa , Inhibidores de la Colinesterasa/farmacología , Cromatografía Líquida de Alta Presión , Epilobium/química , Extractos Vegetales/química , Extractos Vegetales/farmacología , Quercetina/análogos & derivados , Quercetina/farmacología
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