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1.
Brief Bioinform ; 25(2)2024 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-38487850

RESUMO

The screening of enzymes for catalyzing specific substrate-product pairs is often constrained in the realms of metabolic engineering and synthetic biology. Existing tools based on substrate and reaction similarity predominantly rely on prior knowledge, demonstrating limited extrapolative capabilities and an inability to incorporate custom candidate-enzyme libraries. Addressing these limitations, we have developed the Substrate-product Pair-based Enzyme Promiscuity Prediction (SPEPP) model. This innovative approach utilizes transfer learning and transformer architecture to predict enzyme promiscuity, thereby elucidating the intricate interplay between enzymes and substrate-product pairs. SPEPP exhibited robust predictive ability, eliminating the need for prior knowledge of reactions and allowing users to define their own candidate-enzyme libraries. It can be seamlessly integrated into various applications, including metabolic engineering, de novo pathway design, and hazardous material degradation. To better assist metabolic engineers in designing and refining biochemical pathways, particularly those without programming skills, we also designed EnzyPick, an easy-to-use web server for enzyme screening based on SPEPP. EnzyPick is accessible at http://www.biosynther.com/enzypick/.

2.
Plant Physiol ; 192(3): 1997-2014, 2023 07 03.
Artigo em Inglês | MEDLINE | ID: mdl-37011145

RESUMO

Lignified stone cell content is a key factor used to evaluate fruit quality, influencing the economic value of pear (Pyrus pyrifolia) fruits. However, our understanding of the regulatory networks of stone cell formation is limited due to the complex secondary metabolic pathway. In this study, we used a combination of co-expression network analysis, gene expression profiles, and transcriptome analysis in different pear cultivars with varied stone cell content to identify a hub MYB gene, PbrMYB24. The relative expression of PbrMYB24 in fruit flesh was significantly correlated with the contents of stone cells, lignin, and cellulose. We then verified the function of PbrMYB24 in regulating lignin and cellulose formation via genetic transformation in homologous and heterologous systems. We constructed a high-efficiency verification system for lignin and cellulose biosynthesis genes in pear callus. PbrMYB24 transcriptionally activated multiple target genes involved in stone cell formation. On the one hand, PbrMYB24 activated the transcription of lignin and cellulose biosynthesis genes by binding to different cis-elements [AC-I (ACCTACC) element, AC-II (ACCAACC) element and MYB-binding sites (MBS)]. On the other hand, PbrMYB24 bound directly to the promoters of PbrMYB169 and NAC STONE CELL PROMOTING FACTOR (PbrNSC), activating the gene expression. Moreover, both PbrMYB169 and PbrNSC activated the promoter of PbrMYB24, enhancing gene expression. This study improves our understanding of lignin and cellulose synthesis regulation in pear fruits through identifying a regulator and establishing a regulatory network. This knowledge will be useful for reducing the stone cell content in pears via molecular breeding.


Assuntos
Frutas , Pyrus , Frutas/genética , Frutas/metabolismo , Pyrus/genética , Pyrus/metabolismo , Lignina/metabolismo , Fatores de Transcrição/metabolismo , Regulação da Expressão Gênica de Plantas
3.
Phys Chem Chem Phys ; 26(24): 17083-17089, 2024 Jun 19.
Artigo em Inglês | MEDLINE | ID: mdl-38842138

RESUMO

A SERS substrate with high sensitivity and reusability was proposed. The chip consists of multiple ZnO microcavities loaded with silver particles. Based on structural characteristics, this coupling between cavity modes and localized surface plasmon modes can highly localize the electric field, where experimental results revealed a detection limit of 10-11 M for R6G. In addition, during carrier control in semiconductors with localized electromagnetic fields, our substrate also exhibits high self-cleaning efficiency and in situ detection stability. Even in a dry environment, it exhibits excellent light-mediated cleaning ability across multiple reuse test cycles. The convenient, rinse-free substrate, with its cost-effective and sustainable features, shows great promise for the study on detection and degradation of active materials.

4.
BMC Psychiatry ; 24(1): 20, 2024 01 03.
Artigo em Inglês | MEDLINE | ID: mdl-38172869

RESUMO

BACKGROUND: Accumulating evidence has indicated that oxidative stress (OS) and matrix metalloproteinase-9 (MMP-9) may contribute to the mechanism of schizophrenia. In the present study, we aimed to evaluate the associations of OS parameters and MMP-9 levels with psychopathological symptoms in male chronic schizophrenia patients. METHODS: This study was an observational, cross-sectional, retrospective case-control study. Plasma hydrogen peroxide (H2O2), malondialdehyde (MDA), superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GSH-Px), serum matrix metalloproteinase-9 (MMP-9), and tissue inhibitors of metalloproteinases-1 (TIMP-1) levels were assayed in 80 male patients with chronic schizophrenia and 80 matched healthy controls. Schizophrenia symptoms were assessed by the Positive and Negative Syndrome Scale (PANSS). Multivariate regression was used to analyze relationships between OS parameters and MMP-9, and clinical symptoms. RESULTS: Our results demonstrated that levels of antioxidant enzymes, SOD, GSH-Px, H2O2, and MDA were significantly decreased, whereas CAT and MMP-9 levels were increased in patients with schizophrenia, when compared with healthy controls (all P < 0.05). In schizophrenia patients, correlation analyses showed that H2O2 levels were significantly and positively correlated with PANSS positive scores, CAT and MDA levels were significant negatively correlated with PANSS negative scores and PANSS total scores, and MDA levels were significantly positively correlated with MMP-9 levels (all P < 0.05). However, we did not find that MMP-9 played an interaction role between OS parameters and PANSS total scores and subscales scores (all P > 0.05). CONCLUSIONS: Our results showed that alterations of plasma OS parameters in male patients with chronic schizophrenia were associated with psychopathology and MMP-9, suggesting that OS and neuroinflammation may play important role in the mechanism of schizophrenia.


Assuntos
Esquizofrenia , Humanos , Masculino , Antioxidantes , Estudos de Casos e Controles , Estudos Transversais , Glutationa Peroxidase , Peróxido de Hidrogênio , Malondialdeído , Metaloproteinase 9 da Matriz , Estresse Oxidativo , Estudos Retrospectivos , Esquizofrenia/complicações , Superóxido Dismutase/metabolismo
5.
BMC Bioinformatics ; 24(1): 152, 2023 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-37069545

RESUMO

BACKGROUND: The rapid development of synthetic biology relies heavily on the use of databases and computational tools, which are also developing rapidly. While many tool registries have been created to facilitate tool retrieval, sharing, and reuse, no relatively comprehensive tool registry or catalog addresses all aspects of synthetic biology. RESULTS: We constructed SynBioTools, a comprehensive collection of synthetic biology databases, computational tools, and experimental methods, as a one-stop facility for searching and selecting synthetic biology tools. SynBioTools includes databases, computational tools, and methods extracted from reviews via SCIentific Table Extraction, a scientific table-extraction tool that we built. Approximately 57% of the resources that we located and included in SynBioTools are not mentioned in bio.tools, the dominant tool registry. To improve users' understanding of the tools and to enable them to make better choices, the tools are grouped into nine modules (each with subdivisions) based on their potential biosynthetic applications. Detailed comparisons of similar tools in every classification are included. The URLs, descriptions, source references, and the number of citations of the tools are also integrated into the system. CONCLUSIONS: SynBioTools is freely available at https://synbiotools.lifesynther.com/ . It provides end-users and developers with a useful resource of categorized synthetic biology databases, tools, and methods to facilitate tool retrieval and selection.


Assuntos
Biologia Computacional , Biologia Sintética , Biologia Computacional/métodos , Sistema de Registros , Bases de Dados Factuais , Software
6.
Plant Physiol ; 189(2): 1050-1064, 2022 06 01.
Artigo em Inglês | MEDLINE | ID: mdl-35253881

RESUMO

The homeostasis of histone methylation is maintained by histone methyltransferases and demethylases, which are important for the regulation of gene expression. Here, we report a histone demethylase from rice (Oryza sativa), Jumonji C domain-containing protein (JMJ710), which belongs to the JMJD6 group and plays an important role in the response to drought stress. Overexpression of JMJ710 causes a drought-sensitive phenotype, while RNAi and clustered regularly interspaced short palindromic repeats (CRISPR)-knockout mutant lines show drought tolerance. In vitro and in vivo assays showed that JMJ710 is a histone demethylase. It targets to MYB TRANSCRIPTION FACTOR 48 (MYB48-1) chromatin, demethylates H3K36me2, and negatively regulates the expression of MYB48-1, a positive regulator of drought tolerance. Under drought stress, JMJ710 is downregulated and the expression of MYB48-1 increases, and the subsequent activation of its downstream drought-responsive genes leads to drought tolerance. This research reports a negative regulator of drought stress-responsive genes, JMJ710, that ensures that the drought tolerance mechanism is not mis-activated under normal conditions but allows quick activation upon drought stress.


Assuntos
Oryza , Secas , Regulação da Expressão Gênica de Plantas , Histona Desmetilases/metabolismo , Oryza/metabolismo , Proteínas de Plantas/genética , Proteínas de Plantas/metabolismo , Estresse Fisiológico/genética
7.
BMC Pulm Med ; 23(1): 26, 2023 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-36653758

RESUMO

BACKGROUND: Pulmonary arterial hypertension (PAH) associated with connective tissue disease (CTD) belongs to Group 1 pulmonary hypertension. Pulmonary veno-occlusive disease (PVOD), which is characterized by venous system aberrations, has been previously reported in CTD-PAH; however, it has rarely been observed in Sjogren's syndrome (SS). CASE PRESENTATION: Our 28-year-old female patient was admitted to the hospital with recurrent shortness of breath even after minimal physical activity. Her chest high-resolution CT scan demonstrated pulmonary artery dilatation and bilateral ground-glass nodules. A subsequent right heart catheterization confirmed pulmonary hypertension because her mean pulmonary arterial pressure was 62 mmHg. Our inquisitive genomic assessment identified a novel EIF2AK4 mutation at c.1021 C > T (p. Gln341*), the dominant causal gene of PVOD. Histological examination demonstrated stenosis and occlusions in the pulmonary veins. Because she presented with features such as dry eyes and Raynaud's phenomenon, we performed a biopsy on the labial salivary gland, which confirmed SS. Her treatment regimen included PAH-targeted therapies (tadalafil and macitentan) in combination with hydroxychloroquine. Although she was hospitalized several times due to acute exacerbation of PAH, her disease progression was under control, and she did not demonstrate any signs of pulmonary edema even after a three-year treatment period. CONCLUSION: Here, we report the case of an SS-PAH patient with PVOD who carried a novel biallelic EIF2AK4 mutation, and PAH-targeted therapies were well tolerated by our patient.


Assuntos
Hipertensão Pulmonar , Hipertensão Arterial Pulmonar , Pneumopatia Veno-Oclusiva , Síndrome de Sjogren , Humanos , Feminino , Adulto , Pneumopatia Veno-Oclusiva/complicações , Pneumopatia Veno-Oclusiva/diagnóstico , Pneumopatia Veno-Oclusiva/genética , Síndrome de Sjogren/complicações , Síndrome de Sjogren/genética , Pulmão , Hipertensão Pulmonar Primária Familiar , Proteínas Serina-Treonina Quinases/genética
8.
Genomics ; 114(4): 110415, 2022 07.
Artigo em Inglês | MEDLINE | ID: mdl-35718088

RESUMO

Procambarus clarkii is an important economic species in China, and exhibit heat and cold tolerance in the main culture regions. To understand the mechanisms, we analyzed the hepatopancreas transcriptome of P. clarkii treated at 10 °C, 25 °C, and 30 °C, then 2092 DEGs and 6929 DEGs were found in 30 °C stress group and 10 °C stress group, respectively. KEGG pathway enrichment results showed that immune pathway is the main stress pathway for 10 °C treatment and metabolic pathway is the main response pathway for 30 °C treatment, which implies low temperature stress induces the damage of the immune system and increases the susceptibility of bacteria while the body response to high temperature stress through metabolic adjustment. In addition, flow cytometry proved that both high and low temperature stress caused different degrees of apoptosis of hemocytes, and dynamic transcription heat map analysis also identified the differential expression of HSPs family genes and apoptosis pathway genes under different heat stresses. This indicates that preventing damaged protein misfolding and accelerating cell apoptosis are necessary mechanisms for P. clarkii to cope with high and low temperature stress. Our research has deepened our understanding of the complex molecular mechanisms of P. clarkii in response to acute temperature stress, and provided a potential strategy for aquatic animals to relieve environmental duress.


Assuntos
Astacoidea , Transcriptoma , Animais , Astacoidea/genética , Astacoidea/metabolismo , Perfilação da Expressão Gênica , Hepatopâncreas/metabolismo , Temperatura
9.
Int J Mol Sci ; 24(2)2023 Jan 12.
Artigo em Inglês | MEDLINE | ID: mdl-36675031

RESUMO

The diverse application potential of metal-organic framework (MOF) materials are currently limited by their challenging and complicated preparation processes. In this study, we successfully developed a novel strategy for the rapid synthesis of a sustainable MOF composite membrane under neutral conditions with improved physicochemical and antibacterial properties. Our reaction pipeline comprised visible light that induced the production of reactive oxygen species (ROS) from ZIF-8 particles, which facilitated the rapid oxidative polymerization of dopamine to polydopamine. The physicochemical properties of the composite membrane were assessed using imaging methods, including scanning and transmission electron microscopy, X-ray photoelectron spectrometry, and nitrogen adsorption/desorption; its antibacterial effects against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa were measured using optical densitometry. The bactericidal potency of the synthesized membrane was >99% against all tested strains under the conditions of simulated sunlight. Moreover, the composite membrane retained its structural integrity and antibacterial effect after multiple cycles of use and recovery, showcasing remarkable stability. Overall, this study displays a ROS-mediated method for the rapid preparation of sustainable MOF composite membranes under neutral conditions with optimal physicochemical characteristics, antibacterial properties, and performance. Our study provides insights into the use of membrane materials as design platforms for a range of diverse practical applications.


Assuntos
Estruturas Metalorgânicas , Espécies Reativas de Oxigênio , Estruturas Metalorgânicas/farmacologia , Estruturas Metalorgânicas/química , Luz , Luz Solar , Antibacterianos/química
10.
Molecules ; 28(22)2023 Nov 11.
Artigo em Inglês | MEDLINE | ID: mdl-38005263

RESUMO

Photocatalytic technology for inactivating bacteria in water has received much attention. In this study, we reported a dark-light dual-mode sterilized g-C3N4/chitosan/poly (vinyl alcohol) hydrogel (g-CP) prepared through freeze-thaw cycling and an in situ electron-beam radiation method. The structures and morphologies of g-CP were confirmed using Fourier infrared spectroscopy (FTIR), X-ray diffraction spectroscopy (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), solid ultraviolet diffuse reflectance spectroscopy (UV-vis DRS), and Brunauer-Emmett-Teller (BET). Photocatalytic degradation experiments demonstrated that 1 wt% g-CP degraded rhodamine B (RhB) up to 65.92% in 60 min. At the same time, g-CP had good antimicrobial abilities for Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) within 4 h. The shapes of g-CP were adjustable (such as bar, cylinder, and cube) and had good mechanical properties and biocompatibility. The tensile and compressive modulus of 2 wt% g-CP were 0.093 MPa and 1.61 MPa, respectively. The Cell Counting Kit-8 (CCK-8) test and Hoechst33342/PI double staining were used to prove that g-CP had good biocompatibility. It is expected to be applied to environmental sewage treatment and wound dressing in the future.


Assuntos
Escherichia coli , Staphylococcus aureus , Nanogéis , Elétrons , Microscopia Eletrônica de Varredura
11.
Molecules ; 28(19)2023 Sep 27.
Artigo em Inglês | MEDLINE | ID: mdl-37836670

RESUMO

Plasmonic-enhanced photocatalysis using visible light is considered a promising strategy for pollution photodegradation. However, there is still a lack of comprehensive and quantitative understanding of the underlying mechanisms and interactions involved. In this study, we employed a two-step process to fabricate arrays of ZnO nanosheets decorated with Au nanoparticles (Au-ZnO NS). Various characterization techniques were used to examine the morphological, structural, and chemical properties of the fabricated Au-ZnO NS array. Furthermore, we systematically investigated the photocatalytic degradation of methyl orange under visible light irradiation using Au-ZnO NS arrays prepared with varying numbers of photochemical reduction cycles. The results indicated that as the number of photochemical reduction cycles increased, the photodegradation efficiency initially increased but subsequently decreased. Under visible light irradiation, the Au-ZnO NS array obtained via four cycles of photochemical reduction exhibits the highest photocatalytic degradation rate of methyl orange 0.00926 min-1, which is six times higher than that of the ZnO NS array. To gain a better understanding of the plasmonic effect on photodegradation performance, we utilized electromagnetic simulations to quantitatively investigate the enhancement of electric fields in the Au-ZnO NS array. The simulations clearly presented the nonlinear dependencies of electric field intensity on the distribution of Au nanoparticles and the wavelength of radiation light, leading to a nonlinear enhancement of hot electron injection and eventual plasmonic photodegradation. The simulated model, corresponding to four cycles of photochemical reduction, exhibits the highest electric field intensity at 550 nm, which can be attributed to its strong plasmonic effect. This work provides mechanistic insights into plasmonic photocatalysts for utilizing visible light and represents a promising strategy for the rational design of high-performance visible light photocatalysts.

12.
Small ; 18(16): e2200450, 2022 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-35277919

RESUMO

Anode-supported protonic ceramic fuel cells (PCFCs) are highly promising and efficient energy conversion systems. However, several challenges need to be overcome before these systems are used more widely, including the poor sintering of recently developed proton-conducting oxides and the decreased proton conductivity due to detrimental reactions between the nickel from anode and the electrolyte occurring during high-temperature co-sintering. Herein, a Ni doping strategy to increase the electrolyte sintering, suppress the detrimental phase reactions, and generate stable Ni nanoparticles for enhanced performance is proposed. A nickel-doped perovskite oxide is developed with the nominal composition of Ba(Zr0.1 Ce0.7 Y0.1 Yb0.1 )0.95 Ni0.05 O3- δ . Acting as a sintering aid, such a small amount of nickel effectively improves the sintering of the electrolyte. Concomitantly, reactions between nickel and the Ni-doped ceramic phase are suppressed, turning detrimental phase reactions into benefits. The nickel doping further promotes the formation of Ni nanoparticles, which enhance the electrocatalytic activity of the anode toward the hydrogen oxidation reaction and improve the charge transfer across the anode-electrolyte interface. As a result, highly efficient PCFCs are developed. The innovative anode developed in this work also shows favorable activity toward ammonia decomposition, making it highly promising for use in direct ammonia fuel cells.

13.
Bioinformatics ; 36(21): 5269-5270, 2021 01 29.
Artigo em Inglês | MEDLINE | ID: mdl-32697815

RESUMO

SUMMARY: Living cell strains have important applications in synthesizing their native compounds and potential for use in studies exploring the universal chemical space. Here, we present a web server named as Cell2Chem which accelerates the search for explored compounds in organisms, facilitating investigations of biosynthesis in unexplored chemical spaces. Cell2Chem uses co-occurrence networks and natural language processing to provide a systematic method for linking living organisms to biosynthesized compounds and the processes that produce these compounds. The Cell2Chem platform comprises 40 370 species and 125 212 compounds. Using reaction pathway and enzyme function in silico prediction methods, Cell2Chem reveals possible biosynthetic pathways of compounds and catalytic functions of proteins to expand unexplored biosynthetic chemical spaces. Cell2Chem can help improve biosynthesis research and enhance the efficiency of synthetic biology. AVAILABILITY AND IMPLEMENTATION: Cell2Chem is available at: http://www.rxnfinder.org/cell2chem/.


Assuntos
Vias Biossintéticas , Biologia Sintética , Simulação por Computador
14.
Bioinformatics ; 37(22): 4275-4276, 2021 11 18.
Artigo em Inglês | MEDLINE | ID: mdl-33970229

RESUMO

SUMMARY: The field of synthetic biology lacks a comprehensive knowledgebase for selecting synthetic target molecules according to their functions, economic applications and known biosynthetic pathways. We implemented ChemHub, a knowledgebase containing >90 000 chemicals and their functions, along with related biosynthesis information for these chemicals that was manually extracted from >600 000 published studies by more than 100 people over the past 10 years. AVAILABILITY AND IMPLEMENTATION: Multiple algorithms were implemented to enable biosynthetic pathway design and precursor discovery, which can support investigation of the biosynthetic potential of these functional chemicals. ChemHub is freely available at: http://www.rxnfinder.org/chemhub/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
Algoritmos , Biologia Sintética , Humanos , Vias Biossintéticas , Bases de Conhecimento
15.
Bioinformatics ; 37(8): 1182-1183, 2021 05 23.
Artigo em Inglês | MEDLINE | ID: mdl-32871007

RESUMO

MOTIVATION: The 2019 novel coronavirus outbreak has significantly affected global health and society. Thus, predicting biological function from pathogen sequence is crucial and urgently needed. However, little work has been conducted to identify viruses by the enzymes that they encode, and which are key to pathogen propagation. RESULTS: We built a comprehensive scientific resource, SARS2020, which integrates coronavirus-related research, genomic sequences and results of anti-viral drug trials. In addition, we built a consensus sequence-catalytic function model from which we identified the novel coronavirus as encoding the same proteinase as the severe acute respiratory syndrome virus. This data-driven sequence-based strategy will enable rapid identification of agents responsible for future epidemics. AVAILABILITYAND IMPLEMENTATION: SARS2020 is available at http://design.rxnfinder.org/sars2020/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
COVID-19 , Coronavírus Relacionado à Síndrome Respiratória Aguda Grave , Sequência Consenso , Genoma , Humanos , Coronavírus Relacionado à Síndrome Respiratória Aguda Grave/genética , SARS-CoV-2
16.
Microb Cell Fact ; 21(1): 87, 2022 May 14.
Artigo em Inglês | MEDLINE | ID: mdl-35568950

RESUMO

BACKGROUND: Microbial strain information databases provide valuable data for microbial basic research and applications. However, they rarely contain information on the genetic operating system of microbial strains. RESULTS: We established a comprehensive microbial strain database, SynBioStrainFinder, by integrating CRISPR/Cas gene-editing system information with cultivation methods, genome sequence data, and compound-related information. It is presented through three modules, Strain2Gms/PredStrain2Gms, Strain2BasicInfo, and Strain2Compd, which combine to form a rapid strain information query system conveniently curated, integrated, and accessible on a single platform. To date, 1426 CRISPR/Cas gene-editing records of 157 microbial strains have been manually extracted from the literature in the Strain2Gms module. For strains without established CRISPR/Cas systems, the PredStrain2Gms module recommends the system of the most closely related strain as a reference to facilitate the construction of a new CRISPR/Cas gene-editing system. The database contains 139,499 records of strain cultivation and genome sequences, and 773,298 records of strain-related compounds. To facilitate simple and intuitive data application, all microbial strains are also labeled with stars based on the order and availability of strain information. SynBioStrainFinder provides a user-friendly interface for querying, browsing, and visualizing detailed information on microbial strains, and it is publicly available at http://design.rxnfinder.org/biosynstrain/ . CONCLUSION: SynBioStrainFinder is the first microbial strain database with manually curated information on the strain CRISPR/Cas system as well as other microbial strain information. It also provides reference information for the construction of new CRISPR/Cas systems. SynBioStrainFinder will serve as a useful resource to extend microbial strain research and application for biomanufacturing.


Assuntos
Sistemas CRISPR-Cas , Edição de Genes
17.
Sensors (Basel) ; 22(12)2022 Jun 12.
Artigo em Inglês | MEDLINE | ID: mdl-35746233

RESUMO

Fast determination of satellite visibility with respect to a target area is important for satellite navigation and positioning. In this paper, we propose an adaptive interpolation algorithm based on vertex protection to solve the satellite visibility period problem more accurately and quickly, where "vertex" refers to the local extremum point. The algorithm can avoid the error in the visibility period calculation caused by skimming the vertices when fitting the multi-hump visibility function under certain fitting accuracy requirements with the traditional adaptive interpolation method. The algorithm does not need to construct a cubic polynomial in each subinterval to determine whether the satellite is visible or not; it only constructs a cubic polynomial to solve the problem if the visibility function of that subinterval is judged to have a solution from the existence theorem of zero points, which can improve the computational efficiency. For the lunar navigation problem, a solution to satellite-Moon visibility calculations based on a vertex-protected adaptive interpolation is given, and the experimental results show that the computation time of the algorithm can be reduced by approximately 98% compared with the brute force method and by approximately 30% compared with the traditional adaptive interpolation algorithm.

18.
Molecules ; 27(12)2022 Jun 19.
Artigo em Inglês | MEDLINE | ID: mdl-35745053

RESUMO

The mechanisms underlying drug addiction remain nebulous. Furthermore, new psychoactive substances (NPS) are being developed to circumvent legal control; hence, rapid NPS identification is urgently needed. Here, we present the construction of the comprehensive database of controlled substances, AddictedChem. This database integrates the following information on controlled substances from the US Drug Enforcement Administration: physical and chemical characteristics; classified literature by Medical Subject Headings terms and target binding data; absorption, distribution, metabolism, excretion, and toxicity; and related genes, pathways, and bioassays. We created 29 predictive models for NPS identification using five machine learning algorithms and seven molecular descriptors. The best performing models achieved a balanced accuracy (BA) of 0.940 with an area under the curve (AUC) of 0.986 for the test set and a BA of 0.919 and an AUC of 0.968 for the external validation set, which were subsequently used to identify potential NPS with a consensus strategy. Concurrently, a chemical space that included the properties of vectorised addictive compounds was constructed and integrated with AddictedChem, illustrating the principle of diversely existing NPS from a macro perspective. Based on these potential applications, AddictedChem could be considered a highly promising tool for NPS identification and evaluation.


Assuntos
Psicotrópicos , Transtornos Relacionados ao Uso de Substâncias , Substâncias Controladas , Bases de Dados Factuais , Humanos , Psicotrópicos/efeitos adversos , Transtornos Relacionados ao Uso de Substâncias/diagnóstico
19.
Int J Colorectal Dis ; 36(1): 57-66, 2021 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-32944782

RESUMO

BACKGROUND: Colorectal anastomoses in patients with colorectal cancer carry a high risk of leakage. Indocyanine green fluorescence angiography (ICG-FA) is a new technique that allows surgeons to assess the blood perfusion of the anastomosis during operation. This meta-analysis aimed to evaluate whether ICG-FA could prevent anastomotic leakage (AL) in colorectal surgery. METHODS: Four databases (PubMed, Embase, Web of Science, and Cochrane Library) were searched to identify suitable literatures until March 2020 that compared AL rates between intraoperative use and non-use of ICG-FA in colorectal surgery for cancer. The Review Manager 5.3 software was used to perform the statistical analysis. Evaluation of articles quality and analysis for publication bias were also conducted. RESULTS: Thirteen studies of 4037 patients were included in the meta-analysis. The study included 1806 patients in the ICG group and 2231 patients in the control group. The pooled incidence of AL in ICG group was 3.8% compared with 7.8% in control group. There was a significant difference in AL rate with or without use of ICG-FA (OR 0.44; 95% CI 0.33-0.59; P < 0.00001). Reoperation rates were 2.6% and 6.9% in ICG and control groups, respectively. Application of intraoperative ICG-FA was associated with a lower risk of reoperation (OR 0.39; 95% CI 0.16-0.94; P = 0.04). Overall complication rate was 15.6% in the ICG group compared with 21.2% in the control group. Overall complications were significantly reduced when using ICG-FA (OR 0.62; 95% CI 0.47-0.82; P = 0.0008). Mortality rate was not statistically different with or without the use of ICG-FA (OR 1.22; 95% CI 0.20-7.30; P = 0.83). CONCLUSION: The results revealed that ICG-FA reduced risks of AL, reoperation, and overall complications for colorectal cancer patients undergoing colorectal surgery. Well-designed RCTs are needed to confirm the usefulness of intraoperative ICG-FA for preventing surgical complications like AL and reoperation.


Assuntos
Cirurgia Colorretal , Verde de Indocianina , Anastomose Cirúrgica/efeitos adversos , Fístula Anastomótica/epidemiologia , Fístula Anastomótica/etiologia , Fístula Anastomótica/prevenção & controle , Cirurgia Colorretal/efeitos adversos , Angiofluoresceinografia , Humanos , Incidência
20.
Int J Med Sci ; 18(14): 3224-3235, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34400892

RESUMO

Cholesteatoma of the middle ear is a common disease in otolaryngology, which can lead to serious intracranial and extracranial complications. Recent studies showed that the dysregulation of microRNA may be involved in the formation of middle ear cholesteatoma. This study aimed to explore the regulatory effect of micro ribonucleic acid 508-3p (miR-508-3p) on proliferation and apoptosis of middle ear cholesteatoma cells and excavate its underlying regulatory mechanism. We found miR-508-3p expression was upregulated in tissues and cells of cholesteatoma which was inversely related to the expression of hsa_circ_0000007. Overexpression of miR-508-3p could notably facilitate cholesteatoma cell proliferation. Luciferase reporter assay showed that miR-508-3p bound the 3'-untranslated region of its downstream mRNA PTEN. Gain and loss of functions of miR-508-3p were performed to identify their roles in the biological behaviors of cholesteatoma cells, including proliferation and apoptosis. Rescue assays confirmed that PTEN could reverse the effect of miR-508-3p overexpression on cell proliferation. In a word, this study validated that the development of cholesteatoma may regulated by hsa_circ_0000007/miR-508-3p/ PTEN/ PI3K/Akt axis.


Assuntos
Colesteatoma da Orelha Média/genética , MicroRNAs/metabolismo , PTEN Fosfo-Hidrolase/genética , RNA Circular/metabolismo , Regiões 3' não Traduzidas/genética , Adolescente , Adulto , Idoso , Apoptose/genética , Estudos de Casos e Controles , Proliferação de Células/genética , Colesteatoma da Orelha Média/patologia , Colesteatoma da Orelha Média/cirurgia , Orelha Média/patologia , Orelha Média/cirurgia , Feminino , Regulação da Expressão Gênica , Células HaCaT , Humanos , Masculino , MicroRNAs/genética , Pessoa de Meia-Idade , PTEN Fosfo-Hidrolase/metabolismo , Fosfatidilinositol 3-Quinases/metabolismo , Cultura Primária de Células , Proteínas Proto-Oncogênicas c-akt/metabolismo , Transdução de Sinais/genética , Adulto Jovem
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