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1.
Opt Lett ; 49(9): 2249-2252, 2024 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-38691691

RESUMEN

A scheme is proposed to achieve significantly enhanced quantum estimation of optorotational-coupling (ORC) strength by coupling a driven auxiliary cavity to a Laguerre-Gaussian (L-G) rotational cavity, where the ORC originates from the exchange of orbital angular momentum between a L-G light and rotational mirror. The results indicate that, by appropriately designing the auxiliary-cavity mechanism, the estimation error of the ORC parameter is significantly reduced, and revealing the estimation precision has a much stronger thermal noise and dissipation robustness in comparison with the unassisted case. Our study paves the way toward achieving high-precision quantum sensors.

2.
Funct Plant Biol ; 512024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38669462

RESUMEN

Soybean (Glycine max ) is an important oilseed, protein and biodiesel crop. It faces significant threats from bacterial, fungal and viral pathogens, which cause economic losses and jeopardises global food security. In this article, we explore the relationship between soybeans and these pathogens, focusing on the molecular responses that are crucial for soybeans defence mechanisms. Molecular responses involve small RNAs and specific genes, including resistance (R) genes that are pivotal in triggering immune responses. Functional genomics, which makes use of cutting-edge technologies, such as CRISPR Cas9 gene editing, allows us to identify genes that provide insights into the defence mechanisms of soybeans with the focus on using genomics to understand the mechanisms involved in host pathogen interactions and ultimately improve the resilience of soybeans. Genes like GmKR3 and GmVQ58 have demonstrated resistance against soybean mosaic virus and common cutworm, respectively. Genetic studies have identified quantitative trait loci (QTLs) including those linked with soybean cyst nematode, root-knot nematode and Phytophthora root and stem rot resistance. Additionally, resistance against Asian soybean rust and soybean cyst nematode involves specific genes and their variations in terms of different copy numbers. To address the challenges posed by evolving pathogens and meet the demands of a growing population, accelerated soybean breeding efforts leveraging functional genomics are imperative. Targeted breeding strategies based on a deeper understanding of soybean gene function and regulation will enhance disease resistance, ensuring sustainable agriculture and global food security. Collaborative research and continued technological advancements are crucial for securing a resilient and productive agricultural future.


Asunto(s)
Resistencia a la Enfermedad , Glycine max , Enfermedades de las Plantas , Glycine max/genética , Glycine max/microbiología , Glycine max/inmunología , Glycine max/virología , Resistencia a la Enfermedad/genética , Enfermedades de las Plantas/inmunología , Enfermedades de las Plantas/virología , Enfermedades de las Plantas/genética , Enfermedades de las Plantas/microbiología , Agricultura , Genómica , Genes de Plantas , Genoma de Planta , Sitios de Carácter Cuantitativo
3.
Int J Biol Macromol ; 267(Pt 1): 129256, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38493823

RESUMEN

In the present study, the commercially available three different fabrics cotton, nylon and cotton/nylon were modified by chitosan and silver nanoparticles using a crosslinker triethyl orthoformate (TEOF). Resulted cotton­silver (Ag-Cs-Cot), nylon­silver (Ag-Cs-Nyl) and cotton-nylon silver (Ag-Cs-Cot-Nyl) fabrics showed significant anti-bacterial activity even after 50 washing cycles. Silver nanoparticles were prepared by reducing silver nitrate through sodium borohydride at 0 °C. In FTIR spectra the peak at near 1650 cm-1 confirmed that TEOF mediated attachment of chitosan with fabrics (due to C=N) and the stretching of secondary amine near the 3375 cm-1 indicated the silver attachment to the amine group of the chitosan. In Scanning Electron Microscope (SEM) images smooth surfaces of fabrics without any damage by modification process were observed. The antibacterial activity was Analyzed by agar diffusion and broth dilution assays against Escherichia coli and Staphylococcus aureus bacterial strains and results showed 90% bacterial inhibition against E. coli and 89% bacterial inhibition against S. aureus. For testing the antibacterial durability, the modified fabrics were washed with non-ionic detergent (10g/l) for 15 minutes under aggressive stirring (100 rpm) at room temperature. The modified fabrics retained antibacterial activity over the 50 washing cycles. Finally, the commercial potential of cotton-silver fabric was evaluated by stitching it with the socks of football players and interestingly results showed that the modified fabric on the socks showed more than 90% bacterial inhibition as compared to the plain fabric after 70 minutes of playing activity.


Asunto(s)
Antibacterianos , Quitosano , Fibra de Algodón , Escherichia coli , Nanopartículas del Metal , Nylons , Plata , Staphylococcus aureus , Textiles , Quitosano/química , Quitosano/farmacología , Plata/química , Plata/farmacología , Nanopartículas del Metal/química , Antibacterianos/farmacología , Antibacterianos/química , Nylons/química , Escherichia coli/efectos de los fármacos , Staphylococcus aureus/efectos de los fármacos , Pruebas de Sensibilidad Microbiana , Formiatos/química
4.
Diagn Microbiol Infect Dis ; 108(1): 116129, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37952308

RESUMEN

This study aim to investigate the diagnostic potential of Raman spectroscopy in comparison with rapid urease test and histopathology in diagnosis of H. pylori infection. A comparative study was conducted at Pathology Laboratory and a total of 94 samples were collected from patients based on Rome IV criteria. Sensitivity, specificity and accuracy of histopathology, rapid urease test and for Raman spectroscopy were investigated. Rapid urease test showed 23 false negative results of H. pylori as compared to Raman spectroscopy and histopathology. We concluded that Raman spectroscopy showed sensitivity (94.5%), accuracy (94.0%) and specificity of (87.5%) in the diagnosis of H. pylori infection. However rapid urease test showed specificity of 92.5% while low sensitivity 75%, and 78% accuracy as compared to Raman spectroscopy and histopathology . This study illustrates the applicability of Raman spectroscopy as a potent innovative detection tool for the molecular detection of H. pylori infection in gastritis.


Asunto(s)
Infecciones por Helicobacter , Helicobacter pylori , Humanos , Ureasa , Infecciones por Helicobacter/diagnóstico , Espectrometría Raman , Sensibilidad y Especificidad , Biopsia
5.
Environ Sci Pollut Res Int ; 30(46): 103141-103152, 2023 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-37682438

RESUMEN

Arsenic (As) is a naturally occurring element that is found in soil, water, and rocks. However, it can also be released into the environment through human activities. Arsenic is considered an environmental hazard because it is toxic to humans and animals and can cause serious health problems. Additionally, As-contaminated soil can limit plant growth and reduce crop yields, leading to economic losses for farmers. So, decreasing metal/metalloid solubility in soil by synthetic and organic amendments leads to better crop productivity on contaminated soils. The current study aimed to evaluate farmyard manure (FYM)-mediated changes in soil arsenic (As) behavior, and subsequent effects on achene yield of sunflower. Treatment plan comprised of two As levels, i.e., As-60 (60 mg kg-1) and As-120 (120 mg kg-1), four FYM levels (0, 20, 35, and 50 g kg-1), three textural types (sandy, loamy and clayey), and replicated thrice. Seven As fractions including water soluble-As (WS-As), labile-As (L-As), calcium-bound As (Ca-As), aluminum-bound As (Al-As), iron-bound As (Fe-As), organic-matter-bound As (OM-As), and residual-As (R-As) were determined which differed significantly (P ≤ 0.05) with FYM and soil texture. FYM supplementation decreased WS-As, L-As, Ca-As, and Al-As while increased Fe-As, OM-As, and R-As. The immobilizing effect of FYM increased with increasing its rate of application, and maximum effect was found in clayey soil. As speciation in soil also significantly (P ≤ 0.05) affected by FYM and soil texture, with a reduction in arsenate while increase in arsenite, mono-methyl arsenate, and di-methyl arsenate with increasing the rate of FYM supplementation. Bioaccumulation factor reduced with FYM addition, and highest reduction of 38.65 and 42.13% in sandy, 34.24 and 36.26% in loamy while 29.16 and 35.10% in clayey soils at As-60 and As-120, respectively, by 50 g kg-1 FYM compared with respective As treatments without FYM. As accumulation in plant parts was significantly (P ≤ 0.05) reduced by FYM with the subsequent improvement in achene yield.

6.
Mikrochim Acta ; 190(9): 355, 2023 08 18.
Artículo en Inglés | MEDLINE | ID: mdl-37594627

RESUMEN

The fabrication of a heteroatom-doped nanocomposite based on cobalt oxide modified sulfur, phosphorus co-doped carbon nitride (Co3O4/SP-CN) with increased active sites is reported. The synthesized nanocomposite offers surprisingly high electrocatalytic oxidation efficacy toward human albumin (HA) despite its agglomeration. This improved efficacy of Co3O4/SP-CN nanocomposite could be attributed to its increased adsorption sites and surface defects, fast charge transportation capability, and conductivity. Additionally, morphological and compositional analysis of the fabricated Co3O4/SP-CN material has been performed  through scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photon spectroscopy (XPS), and Raman spectroscopy. The fabricated electrode shows remarkable amperometric response against the HA with a limit of detection of 8.39 nM and linear range of 20-4000 nM at applied potential of 0.25 V versus Ag/AgCl in 0.1 M PBS (pH 8.2). The designed Co3O4/SP-CN electrode has been successfully applied to monitor HA in  urine samples of diabetic patient with recovery percentage from 94.1 and 92.1% and with relative standard deviation (RSD) values of 5.8 and 7.8%. According to the best of our knowledge, this is the first report to use a Co3O4/SP-CN-based graphitic pencil (GP) electrode for monitoring of HA for early diagnosis of diabetic nephropathy.


Asunto(s)
Óxidos , Albúmina Sérica Humana , Azufre , Humanos , Fósforo , Albúmina Sérica Humana/orina
7.
Environ Monit Assess ; 195(3): 423, 2023 Feb 23.
Artículo en Inglés | MEDLINE | ID: mdl-36813857

RESUMEN

Heavy metals are ubiquitous in water bodies as a result of anthropogenic activities and over time they accumulate in body thus posing serious health problems. Therefore, it is essential to improve sensing performance, for determination of heavy metal ions (HMIs), of electrochemical sensors. In this work, cobalt-derived MOF (ZIF-67) was in-situ synthesized and incorporated onto the surface of graphene oxide (GO) by simple sonication method. The prepared material (ZIF-67/GO) was characterized by FTIR, XRD, SEM, and Raman spectroscopy. Afterwards, a sensing platform was made by drop-casting synthesized composite onto glassy carbon electrode for individual and simultaneous detection of heavy metal ions pollutants (Hg2+, Zn2+, Pb2+, and Cr3+) with estimated detection limits of 2 nM, 1 nM, 5 nM, and 0.6 nM, respectively, when determined simultaneously, that are below the permissible limit by World Health Organization. To the best of our knowledge, this is first report of HMIs detection by ZIF-67 incorporated GO sensor which can successfully determine the Hg+2, Zn+2, Pb+2, and Cr+3 ions simultaneously with lower detection limits.


Asunto(s)
Mercurio , Metales Pesados , Nanocompuestos , Plomo , Monitoreo del Ambiente , Metales Pesados/análisis , Nanocompuestos/química , Iones
8.
Biol Trace Elem Res ; 201(8): 4143-4155, 2023 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-36355264

RESUMEN

Diversity in eleven Artemisia species from northern Pakistan was assessed based on as per suitability of their elemental contents with thermal conductivity detection and ICP-AES procedures. Results indicated the presence of 13 major elements in the Artemisia species with varied concentrations including Carbon (45.7%, 45,7000 ppm-49.8%, 49,8000 ppm), Nitrogen (2.03%, 20,300 ppm-3.50%, 35,000 ppm), Phosphorus (0.168%, 1680 ppm-0.642%, 6420 ppm), Potassium (2.38%, 23,800 ppm-4.72%, 47,200 ppm), Sulphur (1920 ppm, 0.192%-4780 ppm, 0.478%), Boron (23.8 ppm, 0.00238%-71.7 ppm, 0.00717%), Calcium (0.733%, 7330 ppm-2.249%, 22,490 ppm), Magnesium (0.116%, 1160 ppm-0.267%, 2670 ppm), Zinc (27.7 ppm, 0.00277%-47.9 ppm, 0.00479%), Manganese (25.7 ppm, 0.00257%-93.8 ppm, 0.00938%), Iron (353 ppm, 0.0353%-1532 ppm, 0.1532%), Copper (14.1 ppm, 0.00141%-26.2 ppm, 0.00262%) and Sodium (105 ppm, 0.0105%-587 ppm, 0.0587%). Cluster analysis distributed the Artemisia species into two major groups (G1 and G2) on the basis of their elemental content where G1 contained species like, Artemisia herba alba Asso., A. tournefortiana Rachb., A. rutifolia Steph. ex Spreng., and A. vulgaris L., with the presence of all elements with the maximum amount of S, Zn, P, Ca, and Mg, while G2 contained species like Artemisia biennis Willd., A. chamaemelifolia Vill., A. capillaris, L., A. gmelinii Weber ex Stech., A. indica Willd., A. maritima L., and A. verlotiorum Lamotte., with all elements but significant concentrations of B, N, C, K, Mn, Fe, Cu, and Na. PCA analysis displayed maximum species diversity in the axes two, while axes one showed lower diversity. Additionally, the elevated levels of elements recorded as compared to the threshold levels recommended in the literature for medicinal plants require extraordinary precautionary measures before or during using Artemisia as medication to avoid metal toxicity.


Asunto(s)
Artemisia , Oligoelementos , Espectrofotometría Atómica/métodos , Pakistán , Cobre/análisis , Zinc/análisis , Sodio/análisis , Oligoelementos/análisis
9.
Biosensors (Basel) ; 12(12)2022 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-36551078

RESUMEN

A novel, metal-free electrode based on heteroatom (S, N, P, O)-doped carbon nanoplates (SNPO-CPL) modifying lead pencil graphite (LPG) has been synthesized by carbonizing a unique heteroatom (S, N, P, O)-containing novel polymer, poly(cyclcotriphosphazene-co-2,5-dioxy-1,4-dithiane) (PCD), for precise screening of dopamine (DA). The designed electrode, SNPO-CPL-800, with optimized percentage of S, N, P, O doping through the sp2-carbon chain, and a large number of surface defects (thus leading to a maximum exposition number of catalytic active sites) led to fast molecular diffusion through the micro-porous structure and facilitated strong binding interaction with the targeted molecules in the interactive signaling transducer at the electrode-electrolyte interface. The designed SNPO-CPL-800 electrode exhibited a sensitive and selective response towards DA monitoring, with a limit of detection (LOD) of 0.01 nM. We also monitored DA levels in commercially available chicken samples using the SNPO-CPL-800 electrode even in the presence of interfering species, thus proving the effectiveness of the designed electrode for the precise monitoring of DA in real samples. This research shows there is a strong potential for opening new windows for ultrasensitive DA monitoring with metal-free electrodes.


Asunto(s)
Carbono , Grafito , Animales , Carbono/química , Dopamina/química , Pollos , Grafito/química , Límite de Detección , Electrodos , Técnicas Electroquímicas
10.
Biosensors (Basel) ; 12(10)2022 Oct 08.
Artículo en Inglés | MEDLINE | ID: mdl-36290981

RESUMEN

Herein, we present a comprehensive investigation of rationally designed zinc selenide (ZnSe) nanostructures to achieve highly negatively charged ZnSe nanostructures. A Microwave-assisted hydrothermal synthesis method was used to synthesize three types of ZnSe nanostructures, i.e., nanorods, µ-spheres and nanoclusters, as characterized by a zeta potential analyzer, X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy and BET, which were labeled as type A, B and C. Three different solvents were used for the synthesis of type A, B and C ZnSe nanostructures, keeping other synthesis conditions such as temperature, pressure and precursors ratio constant. Based on two heating time intervals, 6 and 9 h, types A, B and C were further divided into types A6, A9, B6, B9, C6 and C9. ZnSe nanostructures were further evaluated based on their fluorescent quenching efficiency. The maximum fluorescence quenching effect was exhibited by the ZnSe-B6 type, which can be attributed to its highly negative surface charge that favored its strong interaction with cationic dye Rhodamine B (Rh-B). Further, the optimized ZnSe-B6 was used to fabricate an aptasensor for the detection of a food-based toxin, ochratoxin-A (OTA). The developed aptasensor exhibited a limit of detection of 0.07 ng/L with a wide linear range of 0.1 to 200 ng/L.


Asunto(s)
Aptámeros de Nucleótidos , Nanoestructuras , Ocratoxinas , Ocratoxinas/análisis , Aptámeros de Nucleótidos/química , Nanoestructuras/química , Solventes , Límite de Detección
11.
RSC Adv ; 12(40): 26390-26399, 2022 Sep 12.
Artículo en Inglés | MEDLINE | ID: mdl-36275100

RESUMEN

Several neurological disorders, including Parkinson's disease, schizophrenia, human immunodeficiency virus infection, and restless leg syndrome, majorly result from disruption in the dopamine (DA) level. Thus, useful information about the treatment and prevention of various genetic majorly mental health problems can be obtained through precise and real-time monitoring of DA. Herein, we report the fabrication of novel N-rich carbon-coated Au nanoparticles (NC@Au-NPs) by deriving from melamine-crosslinked citrate-stabilized Au NPs. NC@Au-NPs offer fast electro-oxidation efficacy towards DA, because of strong electrostatic attraction between negatively charged NC@Au-NPs and positively charged DA. The catalytic efficacy and shelf life of the designed system were further boosted by applying a mixture of polydopamine (PDA) and benzimidazolium-1-acetate ionic liquid (IL) as a sandwich between the working electrode surface (graphitic pencil electrode: GPE) and the designed nanohybrid NC@Au-NPs as a redox mediator. The results indicate that the designed novel NC@Au/PDA-IL/GPE exhibits excellent sensitivity, selectivity, and reproducibility over a wide linear range (50-1000 nm) and a low detection limit of 0.002 µM ± 0.001 as well. The developed sensor was successfully applied to monitor DA in the blood of COVID-19 quarantined patients and pharmaceutical samples with high accuracy, thus suggesting a powerful tool for the diagnosis of mental problems.

12.
Nanotechnology ; 33(48)2022 Sep 09.
Artículo en Inglés | MEDLINE | ID: mdl-35998539

RESUMEN

In this work, an electrochemical immunosensor based on black phosphorus nanosheets (BPNS)/poly(allylamine hydrochloride) (PAH) nanocomposite modified glassy carbon electrode was developed for the detection of ovarian cancer biomarker HE4. PAH has been applied to retain BPNS in its original honeycomb structure and to anchor biomolecules electrostatically on the transducer surface. The as synthesized nanocomposite was characterized by zeta potential analysis, scanning electron microscopy, x-ray photoelectron spectroscopy, transmission electron microscopy, high-resolution transmission electron microscopy. Subsequently, the performance of the electrochemical immunosensor was evaluated through cyclic voltammetry, differential pulse voltammetry and electrochemical impedance spectroscopy. Under the optimal condition, the developed electrochemical immunosensor permitted to detect HE4 with a linear range of 0.1-300 ng ml-1and a detection limit of 0.01 ng ml-1. The developed sensor exhibited good selectivity and specificity to HE4 with negligible interference effect from common biomolecules like bovine serum albumin, lysozyme, protamine, glucose, fructose, hemoglobin and fetal bovine serum. Further, practical application of developed electrochemical immunosensor was demonstrated in spiked human serum which showed satisfactory recovery percentages.


Asunto(s)
Técnicas Biosensibles , Técnicas Electroquímicas , Técnicas Biosensibles/métodos , Técnicas Electroquímicas/métodos , Electrodos , Humanos , Inmunoensayo/métodos , Límite de Detección , Fósforo , Poliaminas
13.
Mater Chem Phys ; 289: 126451, 2022 Sep 15.
Artículo en Inglés | MEDLINE | ID: mdl-35765364

RESUMEN

The worldwide outbreak of COVID-19 pandemic, is not only a great threat to the victim life but it is leaving invisible devastating negative affect on mental health of quarantined individual because of isolation, depression, bereavement, and loss of income. Therefore, the precise monitoring catecholamine neurotransmitters specifically of dopamine (DA) is of great importance to assess the mental health. Thus, herein we have synthesized Co-based zeolitic imidazolate framework (ZIF-67) through solvothermal method for precise monitoring of DA. To facilitate the fast transportation of ions, highly conductive polymer, poly(3,4-ethylenedioxythiophene; PEDOT) has been integrated on the surface of ZIF-67 which not only provides the smooth pathway for ions/electrons transportation but also saves the electrode from pulverization. The fabricated ZIF-67/PEDOT electrode shows a significant sensing performance towards DA detection in terms of short diffusion pathways by expositing more active sites, over good linear range (15-240 µM) and a low detection limit of (0.04 µM) even in the coexistence of the potentially interfering molecules. The developed ZIF-67/PEDOT sensor was successfully employed for sensitive and selective monitoring of DA from COVID-19 quarantined person blood, thus suggesting reliability of the developed electrode.

14.
Sci Rep ; 12(1): 6575, 2022 04 21.
Artículo en Inglés | MEDLINE | ID: mdl-35449438

RESUMEN

The present study reports a hydrogel-based sunlight-assisted synthesis of gold nanoparticles (Au NPs) with enhanced antimicrobial and wound healing potential. The hydrogel extracted from the seeds of Cydonia oblonga was used as a reducing and capping agent to synthesize Au NPs for the first time. The as-synthesized Au NPs were characterized for an average size, shape, surface functionalization, antimicrobial, and wound healing capabilities. The cubic and rectangular-shaped Au NPs with an average edge length of 74 ± 4.57 nm depicted a characteristic surface plasmon resonance band at 560 nm. The hydrogel-based Au NPs inhibited the growth of microorganisms in zones with 12 mm diameter. In-vitro experiments showed that a minimum inhibitory concentration of Au NPs (16 µg/mL) was sufficient to mimic the 95% growth of pathogenic microorganisms in 24 h. In vivo treatment of wounds with Au NPs in murine models revealed a 99% wound closure within 5 days. Quantitative PCR analysis performed to decipher the role of Au NPs in enhanced wound healing showed an increase in the expression levels of NANOG and CD-34 proteins.


Asunto(s)
Antiinfecciosos , Nanopartículas del Metal , Animales , Antibacterianos/farmacología , Antiinfecciosos/farmacología , Oro/farmacología , Hidrogeles , Nanopartículas del Metal/uso terapéutico , Ratones , Cicatrización de Heridas
15.
Membranes (Basel) ; 12(3)2022 Mar 16.
Artículo en Inglés | MEDLINE | ID: mdl-35323804

RESUMEN

Commercial grade sulfonated-Polyethersulfone (S-PES) and functionalized multiwall carbon nanotube (f-MWCNT)/polyvinylpyrrolidone (PVP) nanocomposites (NCs) were used to enhance and optimize the antifouling, protein resistance and protein separation properties of the S-PES ultrafiltration membranes. The polarities of sulfonic groups of S-PES, carbonyl carbon of pyrrolidone, hydroxyl and carboxyl groups of f-MWCNT in the membrane composition helped to strongly bind each other through hydrogen bonding, as shown by Fourier-transform infrared spectroscopy (FTIR). These binding forces greatly reduced the leaching of NCs and developed long finger-like projection, as confirmed by elution ratio and cross-sectional studies of the membranes via field emission scanning electron microscope (FESEM). The contact angle was reduced up to 48% more than pristine PES. Atomic force microscopy (AFM) was employed to study the various parameters of surface roughness with 3d diagrams, while grain analysis of membrane surface provided a quantitative estimation about volume, area, perimeter, length, radius and diameter. The NCs/S-PES enhanced the flux rate with an impressive (80-84%) flux recovery ratio and (58-62%) reversible resistance (Rr) value in situ, with 60% and 54.4% lesser dynamic and static protein adsorption. The best performing membrane were reported to remove 31.8%, 66.3%, 83.6% and 99.9% for lysozyme-(14.6 kDa), trypsin-(20 kDa), pepsin-(34.6 kDa) and bovine serum albumin (BSA-66 kDa), respectively.

16.
J Bioinform Comput Biol ; 19(5): 2150021, 2021 10.
Artículo en Inglés | MEDLINE | ID: mdl-34353244

RESUMEN

Quantifying the hemolytic activity of peptides is a crucial step in the discovery of novel therapeutic peptides. Computational methods are attractive in this domain due to their ability to guide wet-lab experimental discovery or screening of peptides based on their hemolytic activity. However, existing methods are unable to accurately model various important aspects of this predictive problem such as the role of N/C-terminal modifications, D- and L- amino acids, etc. In this work, we have developed a novel neural network-based approach called HemoNet for predicting the hemolytic activity of peptides. The proposed method captures the contextual importance of different amino acids in a given peptide sequence using a specialized feature embedding in conjunction with SMILES-based fingerprint representation of N/C-terminal modifications. We have analyzed the predictive performance of the proposed method using stratified cross-validation in comparison with previous methods, non-redundant cross-validation as well as validation on external peptides and clinical antimicrobial peptides. Our analysis shows the proposed approach achieves significantly better predictive performance (AUC-ROC of 88%) in comparison to previous approaches (HemoPI and HemoPred with AUC-ROC of 73%). HemoNet can be a useful tool in the search for novel therapeutic peptides. The python implementation of the proposed method is available at the URL: https://github.com/adibayaseen/HemoNet.


Asunto(s)
Péptidos Antimicrobianos , Aprendizaje Automático , Secuencia de Aminoácidos , Hemólisis , Humanos , Péptidos
17.
Plants (Basel) ; 10(7)2021 Jun 22.
Artículo en Inglés | MEDLINE | ID: mdl-34206638

RESUMEN

The genus Jasminum L., of the family Oleaceae, includes many species occurring in the wild, or cultivated worldwide. A preliminary investigation based on inter-simple sequence repeats (ISSR) was performed to assess the genetic diversity among 28 accessions, representing nine species of Jasminum from various regions, representing a range of altitudes in Pakistan. A total of 21 ISSR primers were used, which produced 570 amplified bands of different sizes, with a mean polymorphic band percentage of 98.26%. The maximum resolving power, polymorphism information content, and index values of the ISSR markers recorded for primers 6, 16, and 19 were 0.40, 12.32, and 24.21, respectively. Based on the data of the ISSR markers, the resulting UPGMA dendrogram with the Jaccard coefficient divided the 28 accessions into two main clades. At the species level, the highest values for Shannon's information index, polymorphism percentage, effective allele number, Nei's genetic variations, and genetic unbiased diversity were found in Jasminum sambac L. and J. humile L., while the lowest were observed in J. mesnyi Hance and J. nitidum Skan. Based on Nei's unbiased genetic identity pairwise population matrix, the maximum identity (0.804) was observed between J. elongatum Willd and J. multiflorum (Burm. f.) Andrews, and the lowest (0.566) between J. nitidum Skan. and J. azoricum L. Molecular variance analysis displayed a genetic variation of 79% among the nine populations. The study was aimed to established genetic diversity in Jasminum species using ISSR markers. With the help of this technique, we were able to establish immense intra- and interspecific diversity across the Jasminum species.

18.
Microsc Res Tech ; 84(10): 2325-2336, 2021 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-33880834

RESUMEN

Jasminum L. is the largest genus containing ~200 species found wild mostly in the tropical regions of the world. The comparative palynological study of nine Pakistani Jasminum species with SEM showed zonocolpus, trilobate, and tricolpus pollen types with simple endocolpus apertures which are plesiomorphic and conserved in the Jasminum species. The equatorial pollen view was prolate, subprolate, and perprolate with elliptic, lobate, subcircular whereas polar view was subtriangular in all species. Few characters were specific to some species like heteropolarity in Jasminum grandiflorum and foveolate exine ornamentation with rounded heterobrochate in Jasminum angulare whereas reticulate and angular homobrochate character was common in other species. The UPGMA dendrogram based on qualitative characters did not support the phylogenetic classification of the genus Jasminum as these are highly conserved. The quantitative data showed more variation in some characters whereas few characters showed little or no variation. A greater variation in pollen size was observed among the variants of same species, for example, Jasminum humile showed highly variable polar length and equatorial diameter as compared to other species. Minimum variation was observed in colpus length which divided all species in to two groups. The large lumina were specific to Jasminum nitidum and broader muri was the prominent characteristic of Jasminum angulare. Some species like Jasminum sambac and Jasminum azoricum were unable to develop true pollen due to structural or functional disabilities. So, the quantitative characters of pollen are only suitable for palynological based grouping of Jasminum species but less suitable to infer their evolutionary relationship.


Asunto(s)
Jasminum , Oleaceae , Microscopía Electrónica de Rastreo , Pakistán , Filogenia
19.
RSC Adv ; 11(40): 25084-25095, 2021 Jul 13.
Artículo en Inglés | MEDLINE | ID: mdl-35481009

RESUMEN

Exploring a robust, extremely sensitive, cost-effective and reliable assay platform for the precise analysis of dopamine (DA) has become a big challenge predominantly at the clinical level. To participate in this quest, herein, we fabricated a perylene diimide (PDI) self-assembled graphitic surface of the graphitic pencil electrode (GPE) anchored copper oxide (CuO). The self-assembled N-rich PDI led to the fast movement of ions by decreasing the bandgap and improved the electron transport kinetics with more exposed catalytic active sites, thus resulting in the robust electrochemical sensing of DA. The designed sensor exhibited good sensitivity (4 µM-1 cm-2), high structural stability, repeatability and excellent reproducibility with an RSD value of 2.9%. Moreover, the developed system showed a wide linear range (5 µM to 500 µM) and reliable selectivity even in the presence of co-existing interferants, such as ascorbic acid and uric acid. The fabricated nanohybrid was eventually employed to analyze DA in spiked physiological fluids and provided satisfactory recoveries. The designed PDI-CuO based interface also showed a very low detection limit of 6 nM (S/N = 3), consequently confirming its suitability for clinical and biological applications.

20.
Bioorg Chem ; 107: 104554, 2021 02.
Artículo en Inglés | MEDLINE | ID: mdl-33383322

RESUMEN

With the fading of 'one drug-one target' approach, Multi-Target-Directed Ligands (MTDL) has become a central idea in modern Medicinal Chemistry. The present study aimed to design, develop and characterize a novel series of 4-(Diethylamino)-salicylaldehyde based thiosemicarbazones (3a-p) and evaluates their biological activity against cholinesterase, carbonic anhydrases and α-glycosidase enzymes. The hCA I isoform was inhibited by these novel 4-(diethylamino)-salicylaldehyde-based thiosemicarbazones (3a-p) in low nanomolar levels, the Ki of which differed between 407.73 ± 43.71 and 1104.11 ± 80.66 nM. Against the physiologically dominant isoform hCA II, the novel compounds demonstrated Kis varying from 323.04 ± 56.88 to 991.62 ± 77.26 nM. Also, these novel 4-(diethylamino)-salicylaldehyde based thiosemicarbazones (3a-p) effectively inhibited AChE, with Ki values in the range of 121.74 ± 23.52 to 548.63 ± 73.74 nM. For BChE, Ki values were obtained with in the range of 132.85 ± 12.53 to 618.53 ± 74.23 nM. For α-glycosidase, the most effective Ki values of 3b, 3k, and 3g were with Ki values of 77.85 ± 10.64, 96.15 ± 9.64, and 124.95 ± 11.44 nM, respectively. We have identified inhibition mechanism of 3b, 3g, 3k, and 3n on α-glycosidase AChE, hCA I, hCA II, and BChE enzyme activities. Hydrazine-1-carbothioamide and hydroxybenzylidene moieties of compounds play an important role in the inhibition of AChE, hCA I, and hCA II enzymes. Hydroxybenzylidene moieties are critical for inhibition of both BChE and α-glycosidase enzymes. The findings of in vitro and in silico evaluations indicate 4-(diethylamino)-salicylaldehyde-based thiosemicarbazone scaffold to be a promising hit for drug development for multifactorial diseases like Alzheimer's disease.


Asunto(s)
Acetilcolinesterasa/química , Butirilcolinesterasa/química , Anhidrasas Carbónicas/química , Glicósido Hidrolasas/antagonistas & inhibidores , Tiosemicarbazonas/química , Acetilcolinesterasa/metabolismo , Aldehídos/química , Sitios de Unión , Butirilcolinesterasa/metabolismo , Inhibidores de Anhidrasa Carbónica/química , Inhibidores de Anhidrasa Carbónica/metabolismo , Anhidrasas Carbónicas/metabolismo , Dominio Catalítico , Glicósido Hidrolasas/metabolismo , Isoenzimas/antagonistas & inhibidores , Isoenzimas/metabolismo , Cinética , Ligandos , Simulación del Acoplamiento Molecular , Relación Estructura-Actividad , Tiosemicarbazonas/metabolismo
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