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Cell-fusion mediated generation of multinucleated syncytia represent critical feature during viral infection and in development. Efficiency of syncytia formation is usually illustrated as fusion efficiency under given condition by quantifying total number of nuclei in syncytia normalized to total number of nuclei (both within syncytia and unfused cell nuclei) in unit field of view. However heterogeneity in multinucleated syncytia sizes poses challenge in quantification of cell-fusion multinucleation under diverse conditions. Taking in-vitro SARS-CoV-2 spike-protein variants mediated virus-cell fusion model and placenta trophoblast syncytialization as cell-cell fusion model; herein we emphasize wide application of simple unbiased detailed measure of virus-cell and cell-cell multinucleation using experiential cumulative distribution function (CDF) and fusion number events (FNE) approaches illustrating comprehensive metrics for syncytia interpretation.
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Fusão Celular , Células Gigantes , SARS-CoV-2 , Trofoblastos , Humanos , Células Gigantes/virologia , Células Gigantes/citologia , SARS-CoV-2/fisiologia , Trofoblastos/virologia , Trofoblastos/citologia , Glicoproteína da Espícula de Coronavírus/metabolismo , Feminino , COVID-19/virologia , Gravidez , Internalização do Vírus , Placenta/virologia , Placenta/citologiaRESUMO
Enamel demineralization is a very common occurrence around bonded brackets in an orthodontic practice. Fluoride (FLR) applications have been used to prevent decalcification and further progression of white spot lesions. The purpose of this systematic review and meta-analysis was to systematically appraise available literature on the effectiveness of fluoride mouthrinse in the prevention of demineralization around fixed orthodontic appliances. A search was conducted for randomized controlled clinical trials among four electronic databases (MEDLINE, Google Scholar, PubMed, and Cochrane Review) through MeSH terms and keywords. Studies were excluded if random allocation was not conducted, or if they were animal or in vitro studies. About 146 articles were screened and 5 studies were selected for the present review. Only two studies were selected for MA due to variations in the measurement of outcomes among studies. This review concluded that rinsing with FLR in the course of the fixed orthodontic treatment lessens demineralization around the bracket. Using FLR mouthrinse to inhibit the formation of white spot lesions or dental caries in patients with multiple cavities or restoration can be considered in clinical practice.
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The discovery of new small molecule-based inhibitors is an attractive field in medicinal chemistry. Structurally diversified heterocyclic derivatives have been investigated to combat multi-drug resistant bacterial infections and they offers several mechanism of action. Methicillin-resistant Staphylococcus aureus (MRSA) is becoming more and more deadly to humans because of its simple method of transmission, quick development of antibiotic resistance, and ability to cause hard-to-treat skin and filmy diseases. The sulfur (SVI) particularly sulfonyl and sulfonamide based heterocyclic moieties, have found to be good anti-MRSA agents. The development of new nontoxic, economical and highly active sulfur (SVI) containing derivatives has become hot research topics in drug discovery research. Presently, more than 150 FDA approved Sulfur (SVI)-based drugs are available in the market, and they are widely used to treat various types of diseases with different therapeutic potential. The present collective data provides the latest advancements in Sulfur (SVI)-hybrid compounds as antibacterial agents against MRSA. It also examines the outcomes of in-vitro and in-vivo investigations, exploring potential mechanisms of action and offering alternative perspectives on the structure-activity relationship (SAR). Sulfur (SVI)-hybrids exhibits synergistic effects with existing drugs to provide antibacterial action against MRSA.
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Antibacterianos , Staphylococcus aureus Resistente à Meticilina , Humanos , Antibacterianos/farmacologia , Antibacterianos/química , Testes de Sensibilidade Microbiana , Relação Estrutura-Atividade , Enxofre/farmacologiaRESUMO
Worldwide, environmental concerns about MPs pollution have increased. Microplastic contamination that pollutes the ocean is mostly caused by terrestrial transfer from close proximity locations. A study of MPs pollution near coastal locations becomes necessary to address the MPs transit, fate, and mitigation. In the current study MPs pollution in the surface water and sediment of the Mahanadi River estuary was assessed during Pre-MS and MS. The size, shape, and colour of the MPs were determined using a stereomicroscope, and the MPs polymer composition was identified by Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopy. The mean concentration of MPs that were potentially discovered in water was 16.6 ± 5.2 and sediments 197.3 ± 5.4 during Pre-MS. In the MS observed mean abundance of MPs was 15.1 ± 5.4 in water and 164.6 ± 76.9 in sediments. The highest abundant size was smaller than 1 mm; the most prevalent shape were fibers followed by film and fragments; black and white was a prominent colour in water and sediments respectively. Polyesters (PEs), polyethylene (PE), polyvinyl chloride (PVC), polypropylene (PP), polyamide (PA), Polystyrene (PS), and Polycarbonates (PC) were found in the analysis of the chemical composition of MPs in water and sediments samples. The calculated PLI value shows pollution load at category I, with polymer hazard levels at categories III, IV, and V, indicating very high risk. The current research results show that river inflows and fishing-related actions are probably the main causes of MPs pollution.
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Microplásticos , Poluentes Químicos da Água , Microplásticos/análise , Microplásticos/química , Plásticos/química , Água/análise , Rios/química , Sedimentos Geológicos , Poluentes Químicos da Água/análise , Monitoramento Ambiental , Polímeros , ÍndiaRESUMO
In the present work, Eu2+/Dy3+ ions doped/co-doped into persistent SrAl2O4 microparticles have been developed through solid-state synthesis followed by homogenization and particle size reduction in a ball milling device. These particles have shown a broad and long-persistent afterglow around the 528 nm wavelength of electromagnetic radiation through a broad excitation at around 400 nm. The luminescence intensity was optimized through the selection of different annealing temperatures in the range of 1100 °C to 1500 °C, with intervals of 100 °C. Several structural and optical characterization techniques, such as XRD, SEM, FTIR, thermogravimetric analysis, and photoluminescence, were utilized to judge the preparation and ability of these particles in possible applications in latent fingermark detection on various difficult surfaces. The persistency and stability of these particles were calculated using a digital lux meter.
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BACKGROUND: Menopause in females is a corporeal stage that gives rise to a number of adaptive changes both at systemic and oral levels, prototypically occurring in the late fourth or fifth decade of life. Though physiological aging affects the oral tissue, the hormonal changes due to menopause also act as a major contributing factor in deteriorating the health of oral tissues. Thus, the main aim of our study was to compare the overall periodontal status and alkaline phosphatase levels in the saliva of females in their pre and postmenopausal ages. MATERIAL AND METHODS: This study was conducted on 200 female subjects coming to the Department of Periodontology at Rajendra Institute of Medical Science for oral prophylaxis. The subjects were arbitrarily selected in the age group ranging from 15 to 70 years and were further divided based on the inclusion criteria. Group A included 100 subjects with age ranging from 15 to 45 years, and group B, 100 subjects with age 54 to 70 years. Signs of periodontitis including clinical attachment loss, furcation involvement, and probing depth and salivary alkaline levels were obtained, evaluated, compared, and analyzed. RESULTS: In group A 65% of patients had grade 0 and 28% had grade 1 of clinical attachment level. Similarly in group B, 44% of the total had grade 0 of clinical attachment loss, 38% had grade 1, and 18% were of grade 2. On evaluating grades of furcation involvement, around 45% of the total patients in group A were grade 1 (incipient, pocket formation), while in group B, 51% of the total patients were grade 1. At least 46% in group A and only 20% in group B had no signs of furcation involvement. Salivary alkaline phosphatase levels in pre and postmenopausal patients showed a significant difference between the two groups was obtained. CONCLUSION: The study concluded a major difference in the periodontal health of pre and postmenopausal women with many influencing factors apart from menopause itself.
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PURPOSE: Dental and orofacial trauma among the adult population constitutes a major public health problem. The impact is not just physical but also psychological. To analyse the impacts of dental and orofacial trauma on oral health-related quality of life (OHRQoL) in adults and determine whether the 2 variables are closely interlinked. METHODS: This is a systematic review. The terms "dental trauma", "orofacial trauma", "oral health", "oral health related impact life", "OHRQoL", "positive and negative affect scale", "quality of life", "facial injuries", "adults", and "young adults" were researched in the databases of PubMed, ScienceDirect, Scopus and Google Scholar for associated studies up to December 30, 2022. A comprehensive search was designed and the articles were independently screened for eligibility by 2 reviewers. The included studies' author, year of publication, the country where the study was conducted, population demographics (number and age), an instrument used for assessing OHRQoL and the relevant result were recorded and compared. The quality of the evidence was assessed using Joanna Briggs Institute checklist for observational studies. RESULTS: Out of 482 unique records, 3 articles were included for data extraction. Observational studies were included. Two studies did not mention confounding factors. Different scales were used for dental and orofacial trauma and OHRQoL. OHRQoL has a directly proportional relationship with orofacial trauma. Adolescents with orofacial trauma have a significant impact on this value with a prevalence of 88.4%. CONCLUSION: The highest impact on OHRQoL was seen immediately after the diagnosis of an orofacial trauma. The impact increases with the severity of the trauma. Therefore, to promote overall dental and general health, health education initiatives should include information on the causes, prevention, and requirement for prompt responses by the populace in seeking dental intervention.
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Background & objectives: There is a paucity of data regarding immunogenicity of recently introduced measles-rubella (MR) vaccine in Indian children, in which the first dose is administered below one year of age. This study was undertaken to assess the immunogenicity against rubella and measles 4-6 wk after one and two doses of MR vaccine administered under India's Universal Immunization Programme (UIP). Methods: In this longitudinal study, 100 consecutive healthy infants (9-12 months) of either gender attending the immunization clinic of a tertiary care government hospital affiliated to a medical college of Delhi for the first dose of routine MR vaccination were enrolled. MR vaccine (0.5 ml, subcutaneous) was administered to the enrolled participants (1st dose at 9-12 months and 2nd dose at 15-24 months). On each follow up (4-6 wk post-vaccination), 2 ml of venous blood sample was collected to estimate the antibody titres against measles and rubella using quantitative ELISA kits. Seroprotection (>10 IU/ml for measles and >10 WHO U/ml for rubella) and antibody titres were evaluated after each dose. Results: The seroprotection rate against rubella was 97.5 and 100 per cent and against measles was 88.7 per cent and 100 per cent 4-6 wk after the first and second doses, respectively. The mean (standard deviation) titres against rubella and measles increased significantly (P<0.001) after the second dose in comparison to the levels after the first dose by about 100 per cent and 20 per cent, respectively. Interpretation & conclusions: MR vaccine administered below one year of age under the UIP resulted in seroprotection against rubella and measles in a large majority of children. Furthermore, its second dose resulted in seroprotection of all children. The current MR vaccination strategy of two doses, out of which the first is to be given to infants below one year of age, appears robust and justifiable among Indian children.
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Sarampo , Caxumba , Rubéola (Sarampo Alemão) , Criança , Lactente , Humanos , Vacina contra Sarampo/uso terapêutico , Vacina contra Sarampo-Caxumba-Rubéola , Estudos Longitudinais , Anticorpos Antivirais , Rubéola (Sarampo Alemão)/prevenção & controle , Sarampo/prevenção & controle , Vacinação , Índia/epidemiologiaRESUMO
We collected total suspended particulate (TSP) samples from January 2010 to December 2010 at Sapporo deciduous forest to understand the oxidation processes of biogenic volatile organic compounds (BVOCs). The gas chromatography-mass spectrometric technique was applied to determine biogenic secondary organic aerosols (BSOAs) in the TSP samples. We found the predominance of the isoprene SOA (iSOA) tracers (20.6 ng m-3) followed by α/ß-pinene SOA (pSOA) tracers (8.25 ng m-3) and ß-caryophyllene SOA (cSOA) tracer (1.53 ng m-3) in the forest aerosols. The results showed large isoprene fluxes and relatively high levels of oxidants in the forest atmosphere. The iSOA and pSOA tracers showed a clear seasonal trend with summer and autumn maxima and winter and spring minima. Their seasonal trends were mainly controlled by BVOCs emission from the local broadleaf deciduous forest. Additionally, the regional level of isoprene emissions from the oceanic sources may also be contributed during summertime aerosols. cSOA tracer showed high concentrations in the winter and spring, possibly due to an additional contribution of biomass burning (BB) aerosols from the local or regional BB activities. The biogenic secondary organic carbon (BSOC) was contributed mainly by the oxidation products of isoprene (136 ngC m-3) followed by ß-caryophyllene (63.0 ngC m-3) and α/ß-pinene (35.9 ngC m-3). The mass concentration ratio (0.92) of pinonic acid + pinic acid and 3-methyl-1,2,3-butanetricarboxylic acid ((PNA + PA)/3-MBTCA) indicates the photochemical transformation of first-generation oxidation products to the higher generation oxidation products. The average ratios of isoprene to α/ß-pinene (1.64) and ß-caryophyllene (18.6) oxidation products suggested a large difference in the emissions of isoprene and α/ß-pinene compared to ß-caryophyllene. The cSOA tracers in the forest aerosols are also contributed by BB during the winter and spring. Positive matrix factorization analyses of the BSOA tracers confirmed that organic aerosols of deciduous forests are mostly related to isoprene emissions. This study suggests that isoprene is a more significant precursor for the BSOA than α/ß-pinene and ß-caryophyllene in a broadleaf deciduous forest.
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Poluentes Atmosféricos , Compostos Orgânicos Voláteis , Poluentes Atmosféricos/análise , Estações do Ano , Japão , Aerossóis/análise , Compostos Orgânicos Voláteis/análise , FlorestasRESUMO
In this study, a novel three-dimensional photoelectric system was designed and constructed for the degradation of methylene blue (MB) via photocatalysis, electrocatalysis, and photoelectric catalysis. To this end, a Ti/RuO2-IrO2-SnO2-CeO2 electrode was prepared via a thermal oxidation coating method and used as a dimensionally-stable anode (DSA). The cathode was made of a titanium sheet with Fe3+-doped TiO2 loaded on coal gasification slag (CGS) (Fe3+-TiO2@CGS) as a photocatalyst. The factors affecting the degradation efficiency, such as the supporting electrolyte, current density, and initial pH were systematically investigated. The results revealed Fe3+-TiO2@CGS three-dimensional photoelectric system exhibiting efficient synergistic performance of photocatalysis and electrocatalysis with a synergistic factor of 1.11. Photo-generated holes (h+) were generated by light irradiation and direct anodic oxidation. Furthermore, hydroxyl radicals (HO·) radicals were induced via other pathways. Such active species showed highly-oxidizing abilities, beneficial to the degradation of methylene blue (MB). The representative Fe3+-TiO2@CGS three-dimensional photoelectric system showed super high degradation efficiency at pH 11 and current density of 18.76 mA cm-2. Using NaCl as a supporting electrolyte, the degradation yield reached 99.98% after 60 min of photoelectrical treatment. Overall, the novel Fe3+-TiO2@CGS three-dimensional photoelectrical system looks very promising for the highly efficient catalytic degradation of organic contaminants.
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Contamination of phenolic compounds has devastating effects on the environment. Therefore, its harmless treatment and recycling have received extensive attention. Herein, a novel method for preparing N-S doped phenolic resin (NSPR) from phenols, N and S groups in semi-coking wastewater, and formaldehyde are developed. The KOH is consequently incorporated into the NSPR through simultaneous carbonization and activation in a single step to produce porous carbon material (NSPC). The as-obtained NSPC exhibits a high specific capacitance of 182 F g-1 at 0.5 A g-1, a high energy density of 9.1 Wh kg-1 at a power density of 0.15 kW kg-1, and remarkable cycling stability in aqueous KOH electrolyte. This outstanding electrochemical performance is attributed to its ultrahigh specific surface area (SSA, 2,523 m2 g-1), enormous total pore volume (Vt, 1.30 cm3 g-1), rational pore structure, and N-S heteroatom self-doping (0.76 at% N and 0.914 at% S), which ensures adequate charge storage, rapid electrolyte ion diffusion, and contributed pseudo-capacitance. This work not only provides a facile method for transforming phenolic wastewater into high-value products but also offers a cost-effective and high-performance porous carbon material for supercapacitors.
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Background: In orthodontic tooth development, bone turnover is described by bone testimony at locales of strain and bone resorption at areas of stress. There are metabolic disorders that may lead to tooth movement when the periodontal tissues are under mechanical stress. We needed to discover how the chemical movement of alkaline phosphatase and lactate dehydrogenase in gingival crevicular liquid (GCF) vacillated when tensions were coordinated during introductory arrangement (P1) and withdrawal (P2). Materials and Procedures: Fifty persons, ranging in age from 11 to 21 years, were enrolled in the trial, all of whom required first premolar extractions and were enduring fixed orthodontic treatment. Every subject's test and control teeth were the maxillary canine (TT) and mandibular second molar (CT). Two µL of GCF was taken from the mesial side of both TT and CT and tried for the action of ALP and LDH utilizing a spectrophotometer on the 14th day following the finish of each stage. Results: The findings were analyzed using Student's t-test. Enzyme activity changed when the teeth moved during orthodontic treatment. There was a statistically significant difference in the levels of ALP and LDH activity between P1 and P2 at TT (P = 0.005 and P = 0.001). Neither ALP nor LDH activity differed significantly between P1 and P2, with a statistical significance of 0.054 and 0.061, respectively. Conclusion: According to this research, GCF ALP and LDH activity, as well as periodontal biologic activity during orthodontic tooth movement, can be properly detected.
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INTRODUCTION: The ongoing spread of pandemic coronavirus disease-19 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is of growing concern. Rapid diagnosis and management of SARS-CoV-2 are crucial for controlling the outbreak in the community. Here, we report the development of a first rapid-colorimetric assay capable of detecting SARS-CoV-2 in the human nasopharyngeal RNA sample in less than 30 min. METHOD: We utilized a nanomaterial-based optical sensing platform to detect RNA-dependent RNA polymerase gene of SARS-CoV-2, where the formation of oligo probe-target hybrid led to salt-induced aggregation and change in gold-colloid color from pink to blue visibility range. Accordingly, we found a change in colloid color from pink to blue in assay containing nasopharyngeal RNA sample from the subject with clinically diagnosed COVID-19. The colloid retained pink color when the test includes samples from COVID-19 negative subjects or human papillomavirus-infected women. RESULTS: The results were validated using nasopharyngeal RNA samples from positive COVID-19 subjects (n = 136). Using real-time polymerase chain reaction as gold standard, the assay was found to have 85.29% sensitivity and 94.12% specificity. The optimized method has detection limit as little as 0.5 ng of SARS-CoV-2 RNA. CONCLUSION: We found that the developed assay rapidly detects SARS-CoV-2 RNA in clinical samples in a cost-effective manner and would be useful in pandemic management by facilitating mass screening.
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COVID-19 , SARS-CoV-2 , Feminino , Humanos , SARS-CoV-2/genética , COVID-19/diagnóstico , RNA Viral/genética , RNA Viral/análise , Pandemias , RNA Polimerase Dependente de RNA , Sensibilidade e EspecificidadeRESUMO
Steam inhalations are often used to control viral infections of the respiratory tract such as common cold. The use of steam inhalation in combating SAR-CoV-2 infection has been also tried. Therefore, it is of interest to evaluate the various data available on the effect of steam inhalation on COVID-19 infection in a systematic manner. The guidelines of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) were used. We registered the protocol in PROSPERO, the International prospective register of systematic reviews. A search method to identify relevant studies using PICO questions was prepared. A total of 52 articles were screened for their relevance to the topic. Three articles were found to have insufficient data and ten articles could not pass our inclusion criteria. Total 3 articles could make the final list of articles based on inclusion and exclusion criteria. Steam inhalation helps in symptomatic relief of COVID symptoms. But there is not much data available to reach a conclusion of its role in the treatment and prevention of COVID.
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BACKGROUND: Dental plaque is a complex ecosystem which consists of densely packed microbial colonies, microbial by-products, salivary glycoproteins and desquamated epithelial cells. Clinical studies have proved the relationship between plaque and periodontal disease. AIM: This study compares the anti-plaque efficacy and anti-inflammatory potential of turmeric gel with 0.2% chlorhexidine gel along with scaling and root planing (SRP). MATERIALS AND METHODS: One hundred and fifty individuals were selected and divided into three groups for the study. Group A was instructed to use 0.2% chlorhexidine gel, whereas Group B used turmeric gel along with SRP. Participants were assessed for plaque and gingivitis on the 14th and 21st days. Subjective and objective criteria were assessed. The clinical data were recorded and used for statistical analysis to obtain results. RESULTS: The percentage reduction of plaque index (PI) between the chlorhexidine and turmeric gel on 21st day were 74.85 and 65.91 respectively. similarly, the percentage reduction of gingival index (GI) between the chlorhexidine and turmeric gel on 21st day were 58.49 and 62.46 respectively. CONCLUSION: Turmeric gel shows a slightly lower anti-plaque property in comparison to chlorhexidine gel. Their effect on a reduction of gingival inflammation was equal. It was also noted that turmeric gel showed better acceptability and biocompatibility by the participants.
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BACKGROUND: Student psychological health has been an increasing concern. The COVID-19 pandemic situation has brought this vulnerable population into renewed focus. OBJECTIVE: Our study aims to conduct a timely assessment of the effects of the COVID-19 pandemic on the mental health of college graduates and postgraduates. METHODOLOGY: We conducted online survey with 550 students to understand the effects of the pandemic on their psychology and well-being. The data were analyzed through quantitative and qualitative methods. RESULTS: Of the 550 students, 138 (71%) indicated increased stress and anxiety due to the COVID-19 outbreak. When asked about how the lockdown in COVID-19 situation affecting them, 97% said that it is severely affecting them. When asked about what the problems do you faced during online class, 5% said the Internet, 83.8% said noninteractive, and 11.2% said lack of explanatory mediums. When asked about number of hours spent on the Internet, 100% said more than 10 h. When asked about the activities to keep yourself busy during lockdown in COVID-19 situation, 37% said social media followed by 23% who mentioned cooking. CONCLUSION: Due to the long-lasting pandemic situation and onerous measures such as lockdown and stay-at-home orders, the COVID-19 pandemic brings negative impacts on education. The findings of our study highlight the urgent need to develop interventions and preventive strategies to address the psychological health of college students.
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In the present work, we report the adsorption of the methylene blue (MB) dye from an aqueous solution employing resin immobilized gold nanocomposites (R-AuNCs) assisted surface-enhanced infrared absorption (SEIRA) spectroscopy. The appropriate adsorption isotherm models, including the Langmuir, Freundlich, and Temkin are tested to reveal the interactive behavior between the adsorbent (R-AuNCs) and adsorbed (MB). Interestingly, Fourier transform infrared spectroscopy (FTIR) in combination with R-AuNC materials could be another approach through which the analysis of adsorption-desorption of MB on the surface of nanocomposite adsorbents is possible in a more precise way with high sensitivity and adsorptivity. In addition, a 10-fold enhancement of the signal intensity of MB dye was obtained due to the electrostatic interaction and H-bonding interaction between COO- groups of adsorbent and the positively charged active sites of the dye molecules. The value of % removal efficiency and % adsorption obtained in the present method was 77.64% and 186.61%, respectively. Desorption of MB from adsorbent surface was also carried out using 0.1 M cetylpyridinium chloride as cationic surfactant; resulting process shows for 'n' number of cyclic process. The maximum desorption capacity for MB found in the present investigation was 44.38 mg/g, The advantages of current method are its simplicity, sensitivity, rapidity, ease to fabrication and excellent adsorption efficiencies to remove MB dye from aqueous solution.
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Nanocompostos , Poluentes Químicos da Água , Purificação da Água , Adsorção , Ouro , Concentração de Íons de Hidrogênio , Cinética , Azul de Metileno , Espectroscopia de Infravermelho com Transformada de Fourier , Poluentes Químicos da Água/análiseRESUMO
Methicillin-resistant Staphylococcus aureus (MRSA) is becoming dangerous to human beings due to easy transmission mode and leading to the difficult-to-treat situation. The rapid resistance development of MRSA to many approved antibiotics is of major concern. There is a lot of scope to develop novel, efficient, specific, and nontoxic drug candidates to fight against MRSA isolates. The interesting molecular structure and adaptable feature of oxadiazole moiety which are bioisosteres of esters and amides, and these functional groups show improved resistance to esterases mediated hydrolytic cleavage, attracting researchers to develop required novel antibiotics based on oxadiazole core. This review summarizes the developments of oxadiazole-containing derivatives as potent antibacterial agents against multidrug-resistant MRSA strains and discussing the structure-activity relationship (SAR) in various directions. The current survey is the highlight of the present scenario of oxadiazole hybrids on MRSA studies, covering articles published from 2011 to 2020. This collective information may become a good platform to plan and develop new oxadiazole-based small molecule growth inhibitors of MRSA with minimal side effects.
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Antibacterianos/farmacologia , Oxidiazóis/química , Animais , Antibacterianos/química , Antibacterianos/metabolismo , Proteínas de Bactérias/química , Proteínas de Bactérias/metabolismo , Sítios de Ligação , Desenho de Fármacos , Staphylococcus aureus Resistente à Meticilina/efeitos dos fármacos , Testes de Sensibilidade Microbiana , Simulação de Acoplamento Molecular , Oxidiazóis/metabolismo , Oxidiazóis/farmacologia , Relação Estrutura-AtividadeRESUMO
COVID-19 is an infectious disease caused by a newly discovered corona virus SARS-COV-2. It is the most dangerous epidemic existing currently all over the world. To date, there is no licensed vaccine and not any particular efficient therapeutic agent available to prevent or cure the disease. So development of an effective vaccine is the urgent need of the time. The proposed study aims to identify potential vaccine candidates by screening the complete proteome of SARS-COV-2 using the computational approach. From 14 protein entries in UniProtKB, 4 proteins were screened for epitope prediction based on consensus antigenicity predictions and various physico-chemical criteria like transmembrane domain, allergenicity, GRAVY value, toxicity, stability index. Comprehensive analysis of these 4 antigens revealed that spike protein (P0DTC2) and nucleoprotein (P0DTC9) show the greatest potential for experimental immunogenicity analysis. These 2 proteins have several potential CD4+ and CD8+ T-cell epitopes, as well as high probability of B-cell epitope regions as compared to well-characterized antigen the matrix protein 1 [Influenza A virus (H5N1)]. In addition, the epitope SIIAYTMSL predicted from spike protein (P0DTC2) and epitope SPRWYFYYL predicted from nucleoprotein (P0DTC9) exhibited more than 60% population coverage in the target populations Europe, North America, South Asia, Northeast Asia taken in this study. These epitopes have also been found to exhibit highly significant TCR-pMHC interactions having a joint Z value of 4.51 and 4.37 respectively. Therefore, this analysis suggests that the predicted epitopes might be suitable vaccine candidates and should be subjected to further in-vivo and in-vitro studies.