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1.
J AOAC Int ; 2021 Oct 09.
Artigo em Inglês | MEDLINE | ID: mdl-34626113

RESUMO

BACKGROUND: Ephedrae Herba (EH) is the terrestrial stem of Ephedra sinica Stapf, E. intermedia Schrenk et C. A. Mey., or E. equisetina Bge, which has been used as a diaphoretic, antiasthmatic, and diuretic. Honey-processed EH (HEH) is a widely used traditional Chinese medicine, and has a better effect of dispersing lung qi and relieving asthma and a lower effect of dispelling cold than raw EH (REH). OBJECTIVE: To understand the differences of volatile oils and primary metabolites between REH and honey-processed HEH, and to provide a reference for elucidating the mechanism behind the effect of this processing. METHODS: A system data acquisition and mining strategy was designed to investigate the differences of volatiles and primary metabolites between the REH and HEH, based on gas chromatography-mass spectrometry coupled with multivariate statistical analysis, including principal component analysis and orthogonal partial least squares discriminant analysis. RESULTS: Overall, 15 volatile oils and 14 primary metabolites were shown to be potential characteristic markers differentiating REH and HEH. CONCLUSION: The results may provide a scientific foundation for comprehensively revealing the honey-processing mechanism of EH. HIGHLIGHT: Volatile oils and primary metabolites were used to distinguish REH and HEH and elucidate the processing mechanism of EH for the first time.

2.
J Affect Disord ; 2021 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-34606808

RESUMO

BACKGROUND: Preventive intervention can significantly reduce the human and economic costs of postpartum depression (PPD) compared with treatment post-diagnosis. However, identifying women with a high PPD risk and making a judgement as to the benefits of preventive intervention is a major challenge. METHODS: This is a retrospective study of parturients that underwent a cesarean delivery. Control group was used as development cohort and validation cohort to construct the risk prediction model of PPD and determine a risk threshold. Ketamine group and development cohort were used to verify the risk classification of parturients by evaluating whether the incidence of PPD decreased significantly after ketamine treatment in high-risk for PPD population. RESULTS: The AUC for the development cohort and validation cohort of the PPD prediction model were 0.751 (95%CI:0.700-0.802) and 0.748 (95%CI:0.680-0.816), respectively. A threshold of 19% PPD risk probability was determined, with a specificity and sensitivity in the validation cohort are 0.766 and 0.604, respectively. After matching the high-risk group and the low-risk group by propensity score, the results demonstrated that PPD incidence significantly reduced in the high-risk group following ketamine, versus non-ketamine, intervention (p < 0.01). In contrast, intervention in the low-risk group showed no significant difference in PPD outcomes (p > 0.01). LIMITATION: Randomized trials are needed to further verify the feasibility of the model and the thresholds proposed. CONCLUSIONS: This prediction model developed in this study shows utility in predicting PPD risk. Ketamine intervention significantly lowers PPD incidence in parturients with a risk classification threshold greater than 19%.

3.
J Am Chem Soc ; 143(40): 16804-16812, 2021 Oct 13.
Artigo em Inglês | MEDLINE | ID: mdl-34606265

RESUMO

Determining the reaction pathways, which is central to illustrating the working mechanisms of a catalyst, is severely hindered by the high complexity of the reaction and the extreme scarcity of the data. Here, we develop a novel artificial intelligence framework integrating deep reinforcement learning (DRL) techniques with density functional theory simulations to automate the quantitative search and evaluation on the complex catalytic reaction networks from zero knowledge. Our framework quantitatively transforms the first-principles-derived free energy landscape of the chemical reactions to a DRL environment and the corresponding actions. By interacting with this dynamic environment, our model evolves by itself from scratch to a complete reaction path. We demonstrate this framework using the Haber-Bosch process on the most active Fe(111) surface. The new path found by our framework has a lower overall free energy barrier than the previous study based on domain knowledge, demonstrating its outstanding capability in discovering complicated reaction paths. Looking forward, we anticipate that this framework will open the door to exploring the fundamental reaction mechanisms of many catalytic reactions.

4.
Zhongguo Zhen Jiu ; 41(10): 1074-8, 2021 Oct 12.
Artigo em Chinês | MEDLINE | ID: mdl-34628737

RESUMO

OBJECTIVE: To investigate the effect of acupuncture on default mode network (DMN) in migraine patients without aura based on functional Magnetic Resonance Imaging (fMRI). METHODS: Fifteen patients with migraine were included and treated with acupuncture based on "root-knot" theory (Zuqiaoyin [GB 44] for shaoyang headache, Lidui [ST 45] for yangming headache, Zhiyin [BL 67] for taiyang headache, and ashi point), once every other day, three times a week for 4 weeks. The patients received fMRI scanning before and after acupuncture treatment, the effect of acupuncture on DMN in patients with migraine was observed; the frequency of migraine attack, visual analogue scale (VAS) score and the using of analgesic medication before and after treatment were recorded to evaluate the curative effect of acupuncture; the migraine-specific quality of life questionnaire (MSQ), self-rating anxiety scale (SAS) and self-rating depression scale (SDS) were used to evaluate the improvements of quality of life and emotional state. RESULTS: Compared before acupuncture, the functional connections of left parahippocampal cortex (PHC) and anterior medial prefrontal cortex (aMPFC), dorsal medial prefrontal cortex (dMPFC) and lateral temporal cortex (LTC) in DMN after acupuncture were weakened (P<0.05), and the functional connections of bilateral posterior cingulate cortex (PCC) and dMPFC were weakened (P<0.05). Compared before treatment, the frequency of migraine attack, VAS, SAS and SDS scores after treatment were decreased (P<0.05), and MSQ score was increased (P<0.05). CONCLUSION: Acupuncture shows good clinical efficacy for migraine without aura, and could adjust the functional connection of DMN.


Assuntos
Terapia por Acupuntura , Transtornos de Enxaqueca , Mapeamento Encefálico , Rede de Modo Padrão , Humanos , Espectroscopia de Ressonância Magnética , Transtornos de Enxaqueca/diagnóstico por imagem , Transtornos de Enxaqueca/terapia , Qualidade de Vida
5.
Food Funct ; 2021 Oct 06.
Artigo em Inglês | MEDLINE | ID: mdl-34611674

RESUMO

Natural products, including essential oils and their components, have been used for their bioactivities. Linalool (2,6-dimethyl-2,7-octadien-6-ol) is an aromatic monoterpene alcohol that is widely found in essential oils and is broadly used in perfumes, cosmetics, household cleaners and food additives. This review covers the sources, physicochemical properties, application, synthesis and bioactivities of linalool. The present study focuses on the bioactive properties of linalool, including anticancer, antimicrobial, neuroprotective, anxiolytic, antidepressant, anti-stress, hepatoprotective, renal protective, and lung protective activity and the underlying mechanisms. Besides this, the therapeutic potential of linalool and the prospect of encapsulating linalool are also discussed. Linalool can induce apoptosis of cancer cells via oxidative stress, and at the same time protects normal cells. Linalool exerts antimicrobial effects through disruption of cell membranes. The protective effects of linalool to the liver, kidney and lung are owing to its anti-inflammatory activity. On account of its protective effects and low toxicity, linalool can be used as an adjuvant of anticancer drugs or antibiotics. Therefore, linalool has a great potential to be applied as a natural and safe alternative therapeutic.

6.
Sci Total Environ ; 803: 150043, 2021 Sep 02.
Artigo em Inglês | MEDLINE | ID: mdl-34525697

RESUMO

Soil is a major reservoir and a secondary source of semi-volatile organic chemicals, while studies on the pollution status of halogenated flame retardants (HFRs) in agricultural soils are limited. In this study, a total of twenty-five chemicals including novel brominated flame retardants (NBFRs), polybrominated diphenyl ethers (PBDEs), and dechlorane plus (DPs) was analyzed in the agricultural soils across China to investigate the occurrence, spatial distribution, potential sources, influencing factors and their associated human health risks. The results showed that BDE-209 (125-130,183 pg/g, dry weight, d.w.) was the most abundant flame retardant of PBDEs, followed by decabromodiphenyl ethane (DBDPE) (9.27-22,864 pg/g, d.w.). Meanwhile, the DPs (anti-DP plus syn-DP) were in the range of ND-1229 pg/g (d.w.), and the range of fanti values (the concentration of anti-DP divided by the sum of the concentrations of two isomers) in this study greatly matched those of commercial products, suggesting the effect of proximity to the source region. The higher levels of HFRs were found in Eastern and Southern regions of China. Spatial distribution implied that e-waste recycling activities and plastic processing have shown more importance in releasing legacy flame retardants (FRs) into the environment than the manufacturing process, while all are important for novel FRs. Correlation analysis between influencing factors and HFRs indicated that the distribution of most pollutants was more affected by anthropogenic source factors than environmental factors. The results of the principal component analysis demonstrated that deca-BDE and its alternative products were the major contributors to the sources of HFRs pollution. Human health risks assessment via oral intake and dermal contact pathways presented that the selected pollutants posed a no-carcinogenic risk to children and adults. It is worth noting that supervision of the disposal process of the NBFRs should be strengthened in the future.

7.
Int Immunopharmacol ; 100: 108131, 2021 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-34536747

RESUMO

BACKGROUND: Vitamin D receptor (VDR) and NLRP3 inflammasome play critical roles in lupus nephritis (LN) pathogenesis. AIM OF THE STUDY: This study explored the therapeutic effect of VDR agonist on LN and its molecular mechanism to inhibit NLRP3 signalling. METHODS: C57BL/6 mice, lupus-prone MRL/lpr mice, and VDR agonist paricacitol-treated MRL/lpr mice (300 ng/kg/mouse per dose, 5 times/week for 8 weeks from 8 weeks old) were used to assess kidney histopathology and measure proteinuria, serum anti-ds-DNA antibody and expression of NF-κB/NLRP3/caspase-1/IL-1ß/IL-18 axis. We used mouse renal tubular epithelial cells (mRTECs) to identify protein-protein interactions and examine the effects of paricalcitol. RESULTS AND CONCLUSION: LN pathogenesis decreased after paricalcitol treatment. We observed a marked improvement in renal pathology and a time-dependent decrease urine protein and serum anti-dsDNA antibody levels. In 16-week-old MRL/lpr LN mice, the upregulated expression of NLRP3/caspase-1/IL-1ß/IL-18 axis was significantly downregulated after paricalcitol treatment. Paricalcitol can reverse the apoptosis induced by anti-dsDNA antibody via the NF-κB/NLRP3/caspase-1/IL-1ß/IL-18 axis in mRTECs. Furthermore, paricalcitol suppressed NF-κB nuclear translocation by competitively binding to importin-4. In summary, the VDR agonist can alleviate LN by modulating the NF-κB/NLRP3/caspase-1/IL-1ß/IL-18 axis and suppressing the NF-κB nuclear translocation.

8.
Artigo em Inglês | MEDLINE | ID: mdl-34553465

RESUMO

Most tumors are sporadic and originated from somatic mutations. Some rare germline mutations cause familial tumors, often involving multiple tissues or organs. Tumors from somatic mosaicism during embryonic development are extremely rare. We describe here a pediatric patient who developed both an ovarian germ cell tumor and systemic mastocytosis. Targeted DNA next-generation sequencing analysis revealed similar genomic changes including the same KIT D816V mutation in both tissues, suggesting a common progenitor cancer cell. The KIT mutated cells are likely from early embryonic development during germ cell migration. A literature search found additional eight similar cases. These diseases are characterized by pediatric-onset, all-female, neoplastic proliferation in both gonad and bone marrow, and a common oncogenic cause, that is, KIT mutation, constituting a clinically and genetically homogenous disease entity. Importantly, the association of germ cell tumors with hematopoietic neoplasms suggests that the primordial germ cells are the primitive hematopoietic stem cells, a much-debated and unsettled question.

9.
Chemistry ; 2021 Sep 23.
Artigo em Inglês | MEDLINE | ID: mdl-34554619

RESUMO

Acquiring desirable device performance with deep-blue color purity that fulfills practical application requirements is still a challenge. Bipolar fluorescent emitters with hybrid local and charge transfer (HLCT) state may serve to address this issue. Herein, by inserting anthracene core in the deep-blue building blocks, the authors successfully developed two highly twisted D-π-A fluorescent emitters, ICz-An-PPI and IP-An-PPI, featuring different acceptor groups. Both exhibited superb thermal stabilities, high photo luminescent quantum yields and excellent bipolar transport capabilities. The non-doped OLEDs using ICz-An-PPI and IP-An-PPI as the emitting layers showed efficient blue emission with an external quantum efficiency (EQEmax ) of 4.32 % and 5.41 %, and the CIE coordinates of (0.147, 0.180) and (0.149, 0.150), respectively. In addition, the deep blue doped device based on ICz-An-PPI was achieved with an excellent CEmax of 5.83 cd A-1 , EQEmax of 4.6 % and the CIE coordinate of (0.148, 0.078), which is extremely close to the National Television Standards Committee (NTSC) standard. Particularly, IP-An-PPI-based doped device had better performance, with an EQEmax of 7.51 % and the CIE coordinate of (0.150, 0.118), which was very impressive among the recently reported deep-blue OLEDs with the CIEy <0.12. Such high performance may be attributed to the hot exciton HLCT mechanism via T7 to S2 . Our work may provide a new approach for designing high-efficiency deep-blue materials.

10.
Artigo em Inglês | MEDLINE | ID: mdl-34542589

RESUMO

OBJECTIVES: The aim of this study was to characterize the anatomy of aortopulmonary collateral (APC) arteries in tetralogy of Fallot and pulmonary stenosis and to determine whether APC density identified on preoperative multidetector cardiac computed tomography predicts in-hospital outcome. METHODS: The retrospective single-centre study includes consecutive 135 (2015-2019) patients who underwent one-stage repair. Preoperative multidetector cardiac computed tomography, echocardiography and clinical outcomes were reviewed. The cut-off value of indexed total distal APC cross-sectional area (APC-CSA) was identified by receiver operating characteristic curve. Logistic regression was used for predictors analysis. RESULTS: The median age and body weight were 19.7 (10.1-89.7) months and 10 (8.3-18) kg. A total of 337 APCs were detected with only one demonstrating severe stenosis. There was a strong and significant correlation between mean APC diameter per patient and age (r = 0.70, P < 0.001). APCs were imaged but mainly received no interventions. In-hospital mortality was similar between patients with high (indexed APC-CSA ≥3.0 mm2/m2) and low (<3.0 mm2/m2) APC density (P = 0.642). Significantly greater patients with high indexed APC-CSA experienced the in-hospital composite outcome of death, arrest, renal/hepatic injury, lactic acidosis or extracorporeal membrane oxygenation (P = 0.007). High APC density was associated with greater dosing (P = 0.008) and longer (P = 0.01) use of inotropic support, prolonged pleural drainage (P = 0.013), longer ventilation (P = 0.042), intensive care unit (P = 0.014) and hospital (P = 0.027) duration. No reintervention and death occurred in the follow-up with the median duration of 24.4 (11-36.6) months. Multivariable analysis showed the Nakata index (P = 0.05) and high APC density (P = 0.02) independently predicted the composite outcome. CONCLUSIONS: In tetralogy of Fallot and pulmonary stenosis, APCs are likely to be dilated bronchial arteries. Preoperative multidetector cardiac computed tomography-derived APC density was as important as Nakata index in predicting the occurrence of in-hospital composite outcome. The APC-CSA of 3.0 mm2/m2 maybe considered as a threshold for risk stratification.

11.
Brief Bioinform ; 2021 Sep 09.
Artigo em Inglês | MEDLINE | ID: mdl-34505623

RESUMO

Drug combination is a sensible strategy for disease treatment because it improves the treatment efficacy and reduces concomitant side effects. Due to the large number of possible combinations among candidate compounds, exhaustive screening is prohibitive. Currently, a large number of studies have focused on predicting potential drug combinations. However, these methods are not entirely satisfactory in terms of performance and scalability. In this paper, we proposed a Network Embedding frameWork in MultIplex Network (NEWMIN) to predict synthetic drug combinations. Based on a multiplex drug similarity network, we offered alternative methods to integrate useful information from different aspects and to decide the quantitative importance of each network. For drug combination prediction, we found seven novel drug combinations that have been validated by external sources among the top-ranked predictions of our model. To verify the feasibility of NEWMIN, we compared NEWMIN with other five methods, for which it showed better performance than other methods in terms of the area under the precision-recall curve and receiver operating characteristic curve.

12.
Nanoscale ; 13(31): 13427-13436, 2021 Aug 21.
Artigo em Inglês | MEDLINE | ID: mdl-34477748

RESUMO

Interlayer twisting in two-dimensional (2D) van der Waals (vdW) heterostructures often leads to a periodic moiré pattern which is a superlattice structure on top of the original atomic lattice of the 2D layers. The formation of a moiré superlattice can be accompanied by a significant structural reconstruction and ultra-flat electronic bands. The moiré superlattice is typically built with a tunable scale by controlling the rotation angle θ between the individual 2D layers. In this paper, we report the structural reconstruction and electronic transition in moiré patterns of twisted bilayer antimonene, based on Kohn-Sham density functional theory calculations. Starting from rigid moiré structures, the atomic relaxation leads to an array of high-symmetry stacking domains with soliton boundaries through a vortex-like reconstruction. For twist angle θ≤ 6.01°, the impact of the structural reconstruction on the electronic bands becomes very significant, in the appearance of flat bands at the valence band edge, and no magic angle is required for the flat bands to appear in the 2D Sb moiré patterns. Both inhomogeneous interlayer hybridization and local strain are found to be responsible for the formation of these flat electronic bands.

13.
Sci Total Environ ; 792: 148396, 2021 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-34465046

RESUMO

Droughts represent one of the most severe abiotic stress factors that could result in great crop yield loss. Numerous vegetation indices have been proposed for monitoring the vegetation condition under stress and assessing drought impacts on yield loss. However, the understanding and comparison between traditional vegetation indices (VIs) and the newly emerging satellite Sun-Induced Chlorophyll Fluorescence (SIF) for monitoring vegetation condition is still limited especially under drought stress and at multiple spatial scales. In this study, the potential of satellite observation SIF for monitoring corn response to drought was investigated based on the 2012 drought in the US Corn Belt. The standardized precipitation evapotranspiration index (SPEI) was used here to quantify drought. We found that all SPEI were above -1, except for July (-1.27), August (-1.39) and September (-1.14) in 2012, indicating the severity of this drought. We examined the relationship between satellite measurements of SIF, SIFyield, VIs (e.g., NDVI and EVI) and SPEI. Results indicated that SIFyield was sensitive to drought and SIF captured the stress more accurately both at the regional and state scales for the US Corn Belt. Quantitatively, SIFyield had a high correlation with SPEI (r = 0.987, p < 0.05) over the entire Corn Belt, and it indicated losses in response to drought approximately one month earlier than SIF/NDVI/EVI. Furthermore, our results demonstrated that SIF could be trusted as an effective indicator to study the relationship between GPP (R2 ≥ 0.8664, p < 0.01) under drought conditions across the Corn Belt. This study highlighted the advantage of using satellite SIF observations to monitor the drought stress on crop growth especially GPP at regional scale.


Assuntos
Clorofila , Secas , Fluorescência , Estações do Ano , Zea mays
14.
CNS Neurosci Ther ; 27(11): 1409-1424, 2021 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-34397151

RESUMO

AIMS: Calcitonin gene-related peptide (CGRP) as a regulator of astrocyte activation may facilitate spinal nociceptive processing. Histone H3 lysine 9 acetylation (H3K9ac) is considered an important regulator of cytokine and chemokine gene expression after peripheral nerve injury. In this study, we explored the relationship between CGRP and H3K9ac in the activation of astrocytes, and elucidated the underlying mechanisms in the pathogenesis of chronic neuropathic pain. METHODS: Astroglial cells (C6) were treated with CGRP and differentially enrichments of H3K9ac on gene promoters were examined using ChIP-seq. A chronic constriction injury (CCI) rat model was used to evaluate the role of CGRP on astrocyte activation and H3K9ac signaling in CCI-induced neuropathic pain. Specific inhibitors were employed to delineate the involved signaling. RESULTS: Intrathecal injection of CGRP and CCI increased the number of astrocytes displaying H3K9ac in the spinal dorsal horn of rats. Treatment of CGRP was able to up-regulate H3K9ac and glial fibrillary acidic protein (GFAP) expression in astroglial cells. ChIP-seq data indicated that CGRP significantly altered H3K9ac enrichments on gene promoters in astroglial cells following CGRP treatment, including 151 gaining H3K9ac and 111 losing this mark, which mostly enriched in proliferation, autophagy, and macrophage chemotaxis processes. qRT-PCR verified expressions of representative candidate genes (ATG12, ATG4C, CX3CR1, MMP28, MTMR14, HMOX1, RET) and RTCA verified astrocyte proliferation. Additionally, CGRP treatment increased the expression of H3K9ac, CX3CR1, and IL-1ß in the spinal dorsal horn. CGRP antagonist and HAT inhibitor attenuated mechanical and thermal hyperalgesia in CCI rats. Such analgesic effects were concurrently associated with the reduced levels of H3K9ac, CX3CR1, and IL-1ß in the spinal dorsal horn of CCI rats. CONCLUSION: Our findings highly indicate that CGRP is associated with the development of neuropathic pain through astrocytes-mediated neuroinflammatory responses via H3K9ac in spinal dorsa horn following nerve injury. This study found that CGRP act on their astrocytic receptors and lead to H3K9 acetylation (H3K9ac), which are mainly associated with proliferation-, autophagy-, and inflammation-related gene expression. The number of astrocytes with H3K9ac expression is increased after nerve injury. Inhibition of CGRP attenuates the development of neuropathic pain, which was accompanied by the suppression of H3K9ac, CX3CR1, and IL-1ß expression in CCI rats.

15.
J Mol Neurosci ; 2021 Aug 17.
Artigo em Inglês | MEDLINE | ID: mdl-34405366

RESUMO

Intracerebral haemorrhage (ICH) can be a catastrophic event; even if the initial stages of the pathology were well-managed, a number of patients experience varied residual neurological deficits following the insult. Ferroptosis is a recently identified type of cell demise which is tightly linked to the neurological impairment associated with ICH. In the current work, the prophylactic impact of scalp acupuncture (SA) therapy on autologous blood injection murine models of ICH was investigated in order to establish whether SA could mitigate the secondary damage arising following ICH by moderating ferroptosis. The pathophysiological mechanisms associated with this process were also explored. Ludmila Belayev tests were utilised for the characterisation of neurological damage. Haematoxylin-eosin staining was employed in order to determine the cerebral impact of the induced ICH. Malondialdehyde (MDA) and iron titres in peri-haemorrhagic cerebral tissues were appraised using purchased assay kits. Transmission electron microscopy delineated mitochondrial appearances within nerve cell bodies from the area of haemorrhage. Western blotting techniques were utilised to assay the degree of protein expression of NeuN, sequestosome 1 (p62), nuclear factor erythroid 2-related factor 2 (Nrf2), Kelch-like ECH-associated protein 1 (Keap1), glutathione peroxidase 4 (GPX4) and ferritin heavy chain 1 (FTH1). The frequencies of Nrf2, GPX4 and FTH1 positive cells, respectively, were documented with immunohistochemical staining. The results demonstrated that therapy with SA after ICH mitigated MDA and iron sequestration, diminished the appearance of contracted mitochondria with increased outer mitochondrial membrane diameter within the nerve cell bodies, and suppressed neuronal ferroptosis. The pathways responsible for these effects may encompass amplified p62, Nrf2, GPX4 and FTH1 expression, together with decreased Keap1 expression. Application of SA reduced identified neurobehavioural abnormalities after ICH; no disparities were observed between the consequences of SA therapy and deferoxamine delivery. It can be surmised that intervention with SA enhanced recovery after ICH by triggering the antioxidant pathway, p62/Keap1/Nrf2, and causing FTH1 and GPX4 upregulation, factors that participate in diminishing excess iron and thus in mitigating lipid peroxidation insults arising from ferroptosis following ICH.

16.
Brief Bioinform ; 2021 Aug 09.
Artigo em Inglês | MEDLINE | ID: mdl-34373895

RESUMO

Accurate prediction of drug-target interactions (DTIs) through biological data can reduce the time and economic cost of drug development. The prediction method of DTIs based on a similarity network is attracting increasing attention. Currently, many studies have focused on predicting DTIs. However, such approaches do not consider the features of drugs and targets in multiple networks or how to extract and merge them. In this study, we proposed a Network EmbeDding framework in mulTiPlex networks (NEDTP) to predict DTIs. NEDTP builds a similarity network of nodes based on 15 heterogeneous information networks. Next, we applied a random walk to extract the topology information of each node in the network and learn it as a low-dimensional vector. Finally, the Gradient Boosting Decision Tree model was constructed to complete the classification task. NEDTP achieved accurate results in DTI prediction, showing clear advantages over several state-of-the-art algorithms. The prediction of new DTIs was also verified from multiple perspectives. In addition, this study also proposes a reasonable model for the widespread negative sampling problem of DTI prediction, contributing new ideas to future research. Code and data are available at https://github.com/LiangYu-Xidian/NEDTP.

17.
Int Arch Allergy Immunol ; : 1-10, 2021 Aug 24.
Artigo em Inglês | MEDLINE | ID: mdl-34428765

RESUMO

OBJECTIVE: Rheumatoid arthritis (RA) is a kind of chronic inflammatory disease characterized by the release of inflammatory cytokines and cardiomyocyte apoptosis, which lead to increased riskfor heart diseases. This study aims to explore the possible effect and mechanism of Celastrol on RA induced cardiac impairments in rats. METHODS: Collagen induced RA wistar rat models (CIA) were established for the measurement on secondary foot swelling degree, polyarthritis index score, spleen and thymus index. Pathological morphology was observed using H&E staining. Heart fibrosis was measured after Sirius red staining, while cell apoptosis was determined by TUNEL staining. For in vitro experiments, rat cardiomyocytes were isolated to determine the inflammatory cytokine secretion and cell apoptosis using ELISA and flow cytometry, respectively. Protein expressions of related index and autophagy were detected by Western blot and immunofluorescence. RESULTS: CIA rat model was successfully established and characterized by severe secondary foot swelling degree, and increased polyarthritis index score and spleen and thymus index. Synovial hyperplasia, disordered cardiomyocytes, cell infiltration and fibrosis were also observed in CIA rat model. Compared with CIA model, Celastrol treatment could suppress the release of inflammatory cytokines, including TNF-α, IL-6, IL-1ß, as well as inhibiting the expressions of Bax, cleaved caspase3, collagen I, collagen III and α-SMA. In addition to that, Celastrol treatment can attenuate cell apoptosis and fibrosis of cardiomyocytes and elevate Bcl-2 expression. RA induced cell autophagy can be suppressed by Celastrol through inhibiting the activation of TLR2/HMGB1 signal pathway. CONCLUSION: Celastrol can regulate TLR2/HMGB1 signal pathway to suppress autophagy and therefore exert cardioprotective effect in RA.

18.
Artigo em Inglês | MEDLINE | ID: mdl-34427076

RESUMO

Three double D-π-A sensitizers (A1, A3, and A5) containing different donors (triphenylamine, methoxy-modified triphenylamine, and cyclic thiourea-functionalized triphenylamine) are synthesized to investigate the role of different donors in dye-sensitized solar cells (DSSCs). Detailed investigations of the sensitizers reveal that the spatial characteristics of donor units have a considerable impact on the light-harvesting, electrochemistry, and photovoltaic properties. Benefiting from the strong shielding ability of alkyl chains in the donor to its branch chains as observed in density functional theory (DFT), the open-circuit voltage (VOC = 712.0 mV) of A5-based DSSC is higher than those of A1 and A3 by 90 and 78 mV, respectively. Therefore, the A5-based DSSC delivers a good efficiency of 8.54%, relying on its effective suppression of interfacial recombination. The results indicate that the judiciously tailored donor unit is an effective approach to optimize dye configurations to further improve power conversion efficiencies.

20.
Zhongguo Zhong Yao Za Zhi ; 46(14): 3504-3513, 2021 Jul.
Artigo em Chinês | MEDLINE | ID: mdl-34402272

RESUMO

Coptidis Rhizoma is a common Chinese medicinal in clinical practice,with the effects of clearing heat,drying dampness,purging fire,and removing toxin. All the medicinal plants of Coptis can be used for clinical treatment,but some species are endangered due to resource destruction and difficulty in planting. The dominant medicinal components in Coptidis Rhizoma are isoquinoline alkaloids. There are various methods for the analysis and detection of alkaloids,such as LC-MS,HPLC,and TLC,among which LC-MS is the most widely applied. Different plants of Coptis vary in the kind and content of alkaloids. C. chinensis,C. deltoidea,C. teeta,C. chinensis var. brevisepala,C. omeiensis,C. quinquefolia,and C. quinquesecta mainly contain berberine,palmatine,coptisine,jatrorrhizine,and columbamine,five effective alkaloid components. Plant isoquinoline alkaloids( PIAs) have strong pharmacological activity but are difficult to prepare. The application of synthetic biology of PIAs will be helpful for the clinical application of PIAs. This paper reviews the research progress on biological resources of Coptis species and structures of alkaloids as well as analysis methods and synthetic biology for isoquinoline alkaloids in the medicinal plants of Coptis in recent years,which will facilitate the protection of Coptis medicinal resources and the application and development of alkaloids.


Assuntos
Alcaloides , Alcaloides de Berberina , Berberina , Coptis , Medicamentos de Ervas Chinesas , Isoquinolinas , Rizoma
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