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1.
Environ Technol ; : 1-22, 2020 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-33001744

RESUMO

It is urgent to develop a high-efficient process for recycling the spent mercuric chlorides catalyst (SMC) from vinyl chloride monomer (VCM) production with the implementation of the "Minamata Convention on mercury". A ultrasound and microwave-assisted technology was developed to treat SMC in this study. Firstly, organic carbon deposition was separated from SMC by pretreatment (ultrasonic-assisted ethanol extraction). The optimized extraction conditions were: ultrasonic time 2 h, ultrasonic power 700 W, extraction temperature 65 °C, and liquid-solid ratio 7:1. Under these conditions, 90% of hazardous Cl-containing organics were separated from SMC. Then the pretreated SMC was treated by microwave heating for mercury removal. Residual mercury concentration of SMC decreased from original 1.33% to only 11.92 mg/kg at the preferred conditions of 500 °C for 60 min and the treated SMC passed the Toxicity Characteristics Leaching Procedure (TCLP) test. Simultaneously, catalyst support activated carbon (AC) was regenerated with specific surface area increasing from original 263.85 to 627.5 m2/g. The organics from macropores and surface of AC was removed by pretreatment, intensifying the subsequent Hg removal and regeneration of AC as revealed by the comparative studies. Finally, SMC was subjected to water leaching for recovering metal values. 88.7% of Ba and 95.3% of Ce were leached with ultrasonic power 500 W and ultrasonic time 120 min. SMC was detoxified and valuable components Hg, AC, Ba, Ce were recovered by this new process, which may provide a new idea for industrial treatment of SMC.

2.
J Chin Med Assoc ; 2020 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-33009207

RESUMO

BACKGROUND: Gene therapy is the advance therapeutics for supplying or replaceing the genetic material in patients with inherited disorders. Recent clinical studies have made some progress in a wide range of applications, including monogenic disorders, neurodegenerative diseases, malignant tumors, and congenital diseases. Heart diseases, especially myocardial ischemia, remain one of the leading causes of mortality worldwide and usually result in irreparable cardiomyocyte damage and severe heart failure. METHODS: Most advances in induced pluripotent stem cell (iPSC) technologies for promoting regenerative medicine and stem cell research. However, the driver molecules of myocardial-lineage differentiation and the functional reconstruction capacity of iPSC-derived cardiomyocytes are still an open question. Nanomedicine-based gene delivery provided an crucial platform to carry on the biogenomic materials for equipping functionalities and engineering the living organ environment. Nanodiamond (ND), a carbon-based nanomaterial, has been discovered and shown the high biocompatible and less toxicity for transporting protein, drug, and genomic plasmids. RESULTS: Here, we applied nanodiamond (ND) as a gene delvery vehicle to carry microRNA (miR-181a), and then tranfected into iPS to promote cardiomyocyte-lineage differentiation. Notably. MiR-181a plays a key role in iPS-dervied cardiomyocyte differentiation which directly target Hox-A11, leading to elevated MyoD expression and enhanced cardiomyocyte differentiation. CONCLUSION: Our study demonstrated that miR-181a promotes iPSC differentiation into functional cardiomyocytes. Delivery of NANO-DIAMOND-miR-181a may host clinical potential to enhance the differentiation and recovery of the cardiogenic function in injured cardiomyocytes.

3.
J Chin Med Assoc ; 2020 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-33009209

RESUMO

BACKGROUND: Lung cancer contributes to high cancer mortality worldwide with 80% of total cases diagnosed as non-small cell lung carcinoma (NSCLC). Epidermal growth factor receptor (EGFR) tyrosine kinase (TK) domain serves as a druggable target in NSCLC patients with exon 19 deletion and L858R mutation. However, patients eventually succumbed to resistance to first- and second-generation EGFR-TK inhibitors through activation of T790M mutation. Third generation EGFR-TKI, Osimertinib exhibits high efficacy in patients with exon 19 deletion/L858R/T790M mutation but they experienced acquired resistance thereafter. Available treatment options in NSCLC patients remains a challenge due to unknown molecular heterogeneity responsible for acquired resistance to EGFR-TKI. In this study, we aim to generate Osimertinib-resistant (OR)cells from H1975 carrying L858R/T790M double mutation which can be used as a model to elucidate mechanism of resistance. METHODS: OR cells were established via stepwise-dose escalation and limiting single cell dilution method. We then evaluated Osimertinib resistance potential via cell viability assay. Proteins expression related to EGFR-signalling, Epithelial to Mesenchymal Transition (EMT) and autophagy were analysed via western blot. RESULTS: OR cell lines exhibited increased drug resistance potential compared to H1975. Distinguishable mesenchymal-like features were observed in OR cells. Protein expression analysis revealed EGFR-independent signalling involved in the derived OR cells as well as EMT and autophagy activity. CONCLUSION: We generated OR cell lines in-vitro as evidenced by increased drug resistance potential, increased mesenchymal features and enhanced autophagy activity. Development of Osimertinib resistance cells may serve as in-vitro model facilitating discovery of molecular aberration present during acquired mechanism of resistance.

4.
Nat Commun ; 11(1): 4971, 2020 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-33009408

RESUMO

Assembly of different metal-organic framework (MOF) building blocks into hybrid MOF-on-MOF heterostructures is promising in chemistry and materials science, however the development of ternary MOF-on-MOF heterostructures with controllable architectural and compositional complexity is challenging. Here we report the synthesis of three types of ternary MOF-on-MOF heterostructures via a multiple selective assembly strategy. This strategy relies on the choice of one host MOF with more than one facet that can arrange the growth of a guest MOF, where the arrangement is site-selective without homogenous growth of guest MOF or homogenous coating of guest on host MOF. The growth of guest MOF on a selected site of host MOF in each step provides the opportunity to further vary the combinations of arrangements in multiple steps, leading to ternary MOF-on-MOF heterostructures with tunable complexity. The developed strategy paves the way towards the rational design of intricate and unprecedented MOF-based superstructures for various applications.

5.
J Crit Care ; 2020 Sep 18.
Artigo em Inglês | MEDLINE | ID: mdl-33012579

RESUMO

PURPOSE: To evaluate the efficacy and safety of Polymyxin B-immobilized hemoperfusion (PMX-HP) against sepsis or septic shock. METHODS: We searched databases (PubMed, EMBASE and Cochrane Library) to identify eligible randomized controlled trials (RCTs). The primary outcomes we included in this review were mortality at the longest follow-up available and serious adverse events associated with treatments. We used the Cochrane risk of bias assessment tool to evaluate risk of bias. Trial Sequential Analysis (TSA) was performed to assess the conclusion reached in our research. RESULTS: Thirteen studies including 1163 patients were identified. Use of PMX-HP could reduce overall mortality [relative risk (RR) 0.68, 95% confidence interval (CI) 0.51-0.91, P = 0.01]. An interesting finding was that the mortality of patients in Acute Physiology and Chronic Health Evaluation (APACHE II) scores <25 group (RR 0.64, 95% CI 0.52-0.78, P < 0.0001) and sepsis group (RR 0.48, 95% CI 0.32-0.72, P = 0.0003) significantly decreased after PMX-HP treatment. The result also showed that PMX-HP could reduce endotoxin levels [Standardized mean difference (SMD) -1.53, 95% CI -2.92- -0.13, P = 0.03] and improve mean arterial pressure (SMD 1.07, 95% CI 0.14-2.01, P = 0.02). Serious adverse events between the PMX-HP group and standard therapy group were not significantly different (RR 2.16, 95% CI 0.97-4.80, I2 = 0%, P = 0.06). However, TSA did not provide conclusive evidence and more high quality RCTs were required. CONCLUSION: Using PMX-HP to treat patients with less severe sepsis can reduce overall mortality and is safe. Treatment efficacy may benefit from the reduction of endotoxin level and the improvement of hemodynamics. More high quality RCTs are required to further evaluate the clinical role of PMX-HP against severe sepsis or septic shock.

7.
Polymers (Basel) ; 12(10)2020 Oct 13.
Artigo em Inglês | MEDLINE | ID: mdl-33065970

RESUMO

To solve the problem of excessive heat accumulation in the electronic packaging field, a novel series of hybrid filler (BN@CNT) with a hierarchical "line-plane" structure was assembled via a condensation reaction between functional boron nitride(f-BN) and acid treated carbon nanotubes (a-CNTs). The reactions with different mass ratios of BN and CNTs and the effect of the obtained hybrid filler on the composites' thermal conductivity were studied. According to the results, BN@15CNT exhibited better effects on promoting thermal conductivity of polybenzoxazine(PBz) composites which were prepared via ball milling and hot compression. The thermally conductive coefficient value of PBz composites, which were loaded with 25 wt% of BN@15CNT hybrid fillers, reached 0.794 W· m-1· K-1. The coefficient value was improved to 0.865 W· m-1· K-1 with 15 wt% of BN@15CNT and 10 wt% of BN. Although CNTs were adopted, the PBz composites maintained insulation. Dielectric properties and thermal stability of the composites were also studied. In addition, different thermal conduction models were used to manifest the mechanism of BN@CNT hybrid fillers in enhancing thermal conductivity of PBz composites.

8.
J Interv Cardiol ; 2020: 1035089, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33024418

RESUMO

Objective: To assess the diagnostic value of B-type natriuretic peptide (BNP) or N-terminal pro-B-type natriuretic peptide (NT-proBNP) for contrast-induced acute kidney injury (CI-AKI) in patients with acute coronary syndrome (ACS) undergoing coronary angiography. Background: ACS remains a major cause of death worldwide. Patients with ACS undergoing coronary angiography are more likely to develop CI-AKI, which correlates highly with poor clinical outcomes. Early diagnosis of CI-AKI remains a challenge. Many recent studies have suggested that BNP or NT-proBNP may be a useful biomarker for the early diagnosis of CI-AKI. Methods: We searched databases (PubMed, EMBASE, and Cochrane Library) to identify eligible studies. Two authors independently screened the studies and extracted data. We used the Quality Assessment of Diagnostic Accuracy Studies 2 (QUADAS-2) criteria to assess the methodological quality of the included studies and STATA to perform all statistical analyses. Results: Nine studies including 2832 patients were identified. The pooled sensitivity of 0.73 (95% CI 0.65-0.79), specificity of 0.79 (95% CI 0.70-0.85), and area under the summary receiver operating characteristic curve of 0.81 (95% CI 0.77-0.84) suggested that BNP or NT-proBNP had a good diagnostic value for CI-AKI in patients with ACS undergoing coronary angiography. Conclusions: Our findings suggest that BNP or NT-proBNP may be an effective predictive marker for CI-AKI. However, additional high-quality studies are required to find the optimal cutoff value and the diagnostic value of BNP or NT-proBNP in combination with other biomarkers.

9.
Ann Hematol ; 2020 Oct 08.
Artigo em Inglês | MEDLINE | ID: mdl-33033910

RESUMO

This study retrospectively analyzed the clinical outcome of 172 children with newly diagnosed severe aplastic anemia (SAA) between January 2008 and April 2018, who received rabbit antithymocyte globulin (ATG) and cyclosporine (CsA) as first-line treatment. The median age at diagnosis was 5 years (range, 1-14). The overall response rates were 22.7%, 45.3%, and 61% at 40 days, 3 months, and 6 months, respectively, after rabbit ATG. In multivariate analysis, mild disease severity was the only predictor of favorable response at 6 months (P = 0.006). In the present study, median follow-up period was 63 months (range, 1-135). The 5-year overall survival (OS) and failure-free survival (FFS) rates were 90.5% and 70.4%. Multivariate analysis showed that erythroid burst-forming units (BFU-E) > 2/105 bone marrow mononuclear cell (BMMNC) (P = 0.037) and time interval before IST ≤ 30 days (P = 0.017) were independent positive predictors for OS, meanwhile BFU-E > 2/105BMMNC (P = 0.029) was the only favorable prognostic factor for FFS.

10.
Pharmacol Res ; : 105244, 2020 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-33053440

RESUMO

Diabetic erectile dysfunction (DED) hugely affected the patients' sexual life quality. However, there are no satisfactory therapeutic methods and intervention targets for this subtype of erectile dysfunction (ED). Inspired by the clinical practice of traditional Chinese medicine (TCM), we found that hirudin, the main active ingredient in the leech, could ameliorate the ED symptoms of the DED mouse model. To further reveal the underlying mechanism of hirudin, we designed a novel strategy to discover potential targets based on the diagnostic system of TCM, and found that myeloperoxidase (MPO) was a the promising target of hirudin. Hirudin directly interacts with MPO and inhibits its activity, thus further decreases the content of oxidized low-density lipoprotein (ox-LDL) in serum. Our results demonstrated that the hirudin could ameliorate the symptoms of DED, and revealed the underlying mechanism of hirudin in regulating the activity of MPO.

11.
Sci Rep ; 10(1): 16351, 2020 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-33004996

RESUMO

Multiphoton microscopy has emerged as the primary imaging tool for studying the structural and functional dynamics of neural circuits in brain tissue, which is highly scattering to light. Recently, three-photon microscopy has enabled high-resolution fluorescence imaging of neurons in deeper brain areas that lie beyond the reach of conventional two-photon microscopy, which is typically limited to ~ 450 µm. Three-photon imaging of neuronal calcium signals, through the genetically-encoded calcium indicator GCaMP6, has been used to successfully record neuronal activity in deeper neocortical layers and parts of the hippocampus in rodents. Bulk-loading cells in deeper cortical layers with synthetic calcium indicators could provide an alternative strategy for labelling that obviates dependence on viral tropism and promoter penetration, particularly in non-rodent species. Here we report a strategy for visualized injection of a calcium dye, Oregon Green BAPTA-1 AM (OGB-1 AM), at 500-600 µm below the surface of the mouse visual cortex in vivo. We demonstrate successful OGB-1 AM loading of cells in cortical layers 5-6 and subsequent three-photon imaging of orientation- and direction- selective visual responses from these cells.

12.
BMC Genomics ; 21(1): 705, 2020 Oct 12.
Artigo em Inglês | MEDLINE | ID: mdl-33045990

RESUMO

BACKGROUND: Belonging to lineage I of Brassicaceae, Camelina sativa is formed by two hybridizations of three species (three sub-genomes). The three sub-genomes were diverged from a common ancestor, likely derived from lineage I (Ancestral Crucifer karyotype, ACK). The karyotype evolutionary trajectories of the C. sativa chromosomes are currently unknown. Here, we managed to adopt a telomere-centric theory proposed previously to explain the karyotype evolution in C. sativa. RESULTS: By characterizing the homology between A. lyrata and C. sativa chromosomes, we inferred ancestral diploid karyotype of C. sativa (ADK), including 7 ancestral chromosomes, and reconstructed the evolutionary trajectories leading to the formation of extant C. sativa genome. The process involved 2 chromosome fusions. We found that sub-genomes Cs-G1 and Cs-G2 may share a closer common ancestor than Cs-G3. Together with other lines of evidence from Arabidopsis, we propose that the Brassicaceae plants, even the eudicots, follow a chromosome fusion mechanism favoring end-end joining of different chromosomes, rather than a mechanism favoring the formation circular chromosomes and nested chromosome fusion preferred by the monocots. CONCLUSIONS: The present work will contribute to understanding the formation of C. sativa chromosomes, providing insight into Brassicaceae karyotype evolution.

13.
BMC Health Serv Res ; 20(1): 936, 2020 Oct 12.
Artigo em Inglês | MEDLINE | ID: mdl-33046067

RESUMO

BACKGROUND: To evaluate the impact of a restricted access policy on workplace violence in a healthcare setting. METHODS: We surveyed healthcare workers before and after the implementation of a restricted-access policy at a tertiary hospital in north-eastern China. Data were collected in April 2017 and January 2019. Fisher's exact test were used to compare the difference in workplace violence prevalence between responses to two surveys. Survey 1 (S1) collected data from 345 healthcare professionals who had worked in the inpatient ward for at least 12 months. Survey 2 (S2) included 338 healthcare workers from the same ward who had been employed for more than two years. The effective response rates for the two studies was 79.31 and 83.25%, respectively. All 18 female security guards were included in the investigation in S2. RESULTS: The prevalence of psychological violence was 62.03% in S1 and 34.62% in S2, the difference in prevalence showing statistical significance (P = 0.000), while the prevalence of physical violence was 3.77 and 4.73% respectively, showing no statistical significance (P = 0.573). The change in the rate of injury caused by physical violence was also statistically significant at 76.92 and 31.25% (P = 0.025), respectively. Security guards were at high risk of workplace violence under the policy. Most healthcare professionals thought this policy ameliorated treatment order, the sense of security, anxiety about workplace violence, and so forth, but one-third of the respondents thought that it caused patient dissatisfaction. CONCLUSION: While the restricted access policy may be effective for healthcare professionals in avoiding or dealing with violence, such policy could contribute to new problems regarding the safety of security guards and the potential dissatisfaction of patients. The policy should be further developed to alleviate this phenomenon.

14.
Chemosphere ; 264(Pt 2): 128499, 2020 Oct 03.
Artigo em Inglês | MEDLINE | ID: mdl-33049500

RESUMO

Triflumezopyrim is an excellent pesticide for preventing and controlling rice planthoppers. It is widely used in the production of field rice and mainly through spraying with some inadvertent loss of pesticide to the soil. The future may bring development and utilization of seeds containing triflumezopyrim which will certainly impact earthworms. To evaluate the toxic effects of triflumezopyrim on earthworms, reactive oxygen species (ROS), superoxide dismutase (SOD) and catalase (CAT) activities, malondialdehyde content (MDA), glutathione S-transferase (GST), and DNA oxidative damage (8-hydroxy-2'-deoxyguanosine, 8-OHdG) were measured after 7, 14, 21, and 28 d analyzing the effects of 6 concentrations (0, 0.5, 1, 2.5, 5 and 10 mg/kg) of triflumezopyrim, respectively. ROS content did not change significantly in the early stages but showed a significant dose-effect relationship in the late stages. Antioxidant enzymes were activated in most treatment groups, and catalase activity was the same as that in the control group at 28 d. GST activity showed a trend of increasing first and then decreasing whereas MDA content had no obvious change in trend. 8-OHdG showed significant positive correlation with the concentration of triflumezopyrim at 28 d, indicating that the degree of DNA oxidative damage increased accordingly. The results showed that chronic exposure of triflumezopyrim may cause both oxidative stress and DNA damage in earthworms and alter the activity of antioxidant enzymes.

15.
Genes (Basel) ; 11(10)2020 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-33076444

RESUMO

Ascorbate peroxidase (APX) is an important antioxidant enzyme. APXs in maize are encoded by multiple genes and exist as isoenzymes. The evolutionary history and functional divergence of the maize APX gene family were analyzed through comparative genomic and experimental data on the Internet in this paper. APX genes in higher plants were divided into classes A, B, and C. Each type of APX gene in angiosperms only had one ancestral gene that was duplicated along with the genome duplication or local (or tandem) duplication of the angiosperm. A total of eight genes were retained in maize and named APXa1, APXa2, APXa3, APXb1, APXb2, APXc1.1, APXc1.2, and APXc2. The APX genes of class A were located in the chloroplasts or mitochondria, and the class B and C genes were localized in the peroxisomes and cytoplasm, respectively. The expression patterns of eight APXs were different in vegetative and reproductive organs at different growth and development stages. APXa1 and APXb1 of maize may participate in the antioxidant metabolism of vegetative organs under normal conditions. APXa2, APXb2, APXc1.1, and APXc1.2 may be involved in the stress response, and APXb2 and APXc2 may participate in the senescence response. These results provide a basis for cultivating high-yield and resistant maize varieties.

16.
Eur J Med Chem ; : 112898, 2020 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-33069433

RESUMO

N-(5-Chlorobenzo[d]oxazol-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamideox-amide has been identified as a potent inhibitor of Mtb H37Rv, with a minimum inhibitory concentration (MIC) of 0.42 µM. In this study, a series of substituted 2-acylamide-1,3-zole analogues were designed and synthesized, and their anti-Mtb activities were analyzed. In total, 17 compounds were found to be potent anti-Mtb agents, especially against the MDR- and XDR-MTB strains, with MIC values < 10 µM. These analogues can inhibit both drug-sensitive and drug-resistant Mtb. Four representative compounds were selected for further profiling, and the results indicate that compound 18 is acceptably safe and has favorable pharmacokinetic (PK) properties. In addition, this compound displays potent activity against Gram-positive bacteria, with MIC values in the range of 1.48-11.86 µM. The data obtained herein suggest that promising anti-Mtb candidates may be developed via structural modification, and that further research is needed to explore other compounds.

17.
J Clin Pharm Ther ; 2020 Sep 27.
Artigo em Inglês | MEDLINE | ID: mdl-32981149

RESUMO

WHAT IS KNOWN AND OBJECTIVE: Gram-negative bacteremia remains a major health problem around the world. The optimal duration of antibiotic treatment has been poorly defined, and there are significant differences of opinion between clinicians. We conducted this systematic review and meta-analysis to compare the clinical outcomes of short-course and long-course treatments in patients with uncomplicated gram-negative bacteremia. METHODS: We searched public databases (PubMed, EMBASE and Cochrane Library) to identify eligible studies. The primary outcomes were all-cause mortality and the incidence of recurrent bacteremia through day 30. We used the Cochrane risk of bias assessment tool to evaluate the risk of bias for randomized controlled trials (RCTs) and the Newcastle-Ottawa Scale for non-RCTs. RESULTS AND DISCUSSION: Six studies involving 2689 patients were included in the systematic review and meta-analysis. No significant difference was found between short-course and long-course antibiotic treatments in 30-day mortality (risk ratio [RR] 0.85; 95% confidence interval [CI] 0.65-1.13; P = .26), 30-day recurrent bacteremia (RR 1.07; 95% CI 0.68-1.67; P = .78), 90-day mortality (RR 0.84; 95% CI 0.57-1.24; P = .38), 90-day recurrent bacteremia (RR 0.98; 95% CI 0.50-1.89; P = .94), adverse events (RR 1.14; 95% CI 0.89-1.45; P = .30), Clostridium difficile infection (RR 0.86; 95% CI 0.40-1.86; P = .71) or resistance development (RR 1.19; 95% CI 0.66-2.14; P = .57). WHAT IS NEW AND CONCLUSION: Short-course was non-inferior to long-course antibiotic treatments for patients with uncomplicated gram-negative bacteremia. Considering the drug-related side effects and cost-effectiveness, a shorter duration of antibiotic treatment may be preferable for this particular population. However, additional high-quality RCTs are needed to further assess whether a shorter course of antibiotic treatment is of greater benefit for patients with uncomplicated gram-negative bacteremia.

18.
Artigo em Inglês | MEDLINE | ID: mdl-32864821

RESUMO

The world is currently transitioning from a fossil-fuel-driven energy economy to one that is supplied by more renewable and sustainable materials. Trees as the most abundant renewable bioresource have attracted significant attention for advanced materials and manufacturing in this epochal transition. Trees are composed with complex structures and components such as trunk (stem and bark), leaf, flower, seed, and root. Although many excellent reviews have been published regarding advanced applications of wood and wood-derived biopolymers in different fields, such as energy, electronics, biomedical, and water treatment, no reviews have revisited and systematically discussed functional materials and even devices derived from trees in a full scope yet. Therefore, a timely summary of the recent development of materials and structures derived from different parts of trees for sustainability is prsented here. A concise introduction to the different parts of the trees is given first, which is followed by the corresponding chemistry and preparation of functional materials using various biopolymers from trees. The most promising applications of biopolymer-based materials are discussed subsequently. A comprehensive review of the different parts of trees as sustainable functional materials and devices for critical applications is thus provided.

19.
J Pharm Anal ; 2020 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-32923004

RESUMO

The outbreak of coronavirus disease 2019 (COVID-19) by severe acute respiratory syndrome coronavirus 2 (SARS-CoV2) is a serious global health threat. This raises an urgent need for the development of effective drugs against the deadly disease. SARS-CoV-2 nonstructural protein 14 (NSP14) carrying RNA cap guanine N7-methyltransferase and 3'-5' exoribonuclease activities could be a potential drug target for intervention. NSP14 of SARS-CoV-2 shared 98.7% similarity with the one (PDB 5NFY) of acute respiratory syndrome (SARS) by ClustalW. Then, the SARS-CoV-2 NSP14 structures were modelled by Modeller9.18 using SARS NSP14 (PDB 5NFY) as template for virtual screening. Based on the docking score from AutoDock Vina1.1.2, 18 small molecule drugs were selected for further evaluation. Based on the 5 ns MD simulation trajectory, binding free energy (ΔG) was calculated by MM/GBSA method. The calculated binding free energies of Saquinavir, Hypericin, Baicalein and Bromocriptine for the N-terminus of the homology model were -37.2711±3.2160, -30.1746±3.1914, -23.8953±4.4800, -34.1350±4.3683 kcal/mol, respectively, while the calculated binding free energies were -60.2757±4.7708, -30.9955±2.9975, -46.3099±3.5689, -59.8104±3.5389 respectively when binding to the C-terminus. Thus, the compounds including Saquinavir, Hypericin, Baicalein and Bromocriptine, could bind the N-terminus and C-terminus of the homology model of the SARS-CoV-2 Nsp14, providing as a candidate drug against SARS-CoV-2 for further study.

20.
Artigo em Inglês | MEDLINE | ID: mdl-32890304

RESUMO

STUDY DESIGN: A retrospective study. OBJECTIVE: The aim of this study is to investigate the changes in sleep quality in patients surgically treated for kyphosis due to ankylosing spondylitis (AS) and the correlation between these changes and spinal sagittal realignment. SUMMARY OF BACKGROUND DATA: Sleep problems are prevalent in AS patients. However, little attention has been paid to the sleep quality in patients with AS kyphosis and the effect of surgical intervention on sleep quality. METHODS: We have retrospectively reviewed 62 patients with AS-induced thoracolumbar kyphosis who underwent surgically treatment from October 2012 to November 2016. Sleep quality was evaluated by the Pittsburgh Sleep Quality Index (PSQI) questionnaire. Preoperative and postoperative radiological characteristics and supine function were documented. We compared the above-mentioned parameters pre- and 24 months postoperatively and analyzed the correlation of the changes in the PSQI with the changes in radiological characteristics. RESULTS: Fifity-one patients (82%) classified as poor sleepers preoperatively. In addition to use of sleeping medication, each domain of the PSQI and the total PSQI were increased postoperatively. Improved sleep quality was correlated with changes in spinal sagittal characteristics, among which the lumbar lordosis (LL) and the chin-brow vertical angle (CBVA) were the independent correlation factors. The number of patients with supine dysfunction decreased from 89% to 15% after surgery. Significant differences were identified in the PSQI scores between the patients with and without supine dysfunction either pre- or postoperatively. CONCLUSIONS: Surgical correction of spinal deformity may improve sleep quality and supine function in patients with AS. Spinal sagittal realignment may be correlated with the improvement of sleep quality. LEVEL OF EVIDENCE: 4.

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