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1.
Ther Adv Chronic Dis ; 12: 2040622320967148, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34471512

RESUMO

Background: Studies regarding the relationship of sclerostin (Scl) with clinical outcomes in patients undergoing maintenance haemodialysis have yielded controversial findings. This meta-analysis was performed to investigate the predictive role of Scl in this patient population. Methods: Several electronic medical databases (e.g. PubMed, Embase, Web of Science and Cochrane Library) were searched for eligible studies through December 20, 2019. Summary hazard ratios (HRs) with 95% confidence intervals (CIs) were calculated based on Scr level (high or low) using a random or fixed effects model. Results: From among 641 initially screened publications, 16 eligible studies were included in this meta-analysis. A high Scl level was not associated with cardiovascular events [HR = 0.8 (95% CI, 0.42-1.35)] or all-cause mortality [HR = 0.93 (95% CI, 0.56-1.54)]. There was high heterogeneity, but no evidence of publication bias. Interestingly, a high Scl level was associated with reduced cardiovascular events [HR = 0.44 (95% CI, 0.29-0.69)] in the subgroup by shorter follow-up period or all-cause mortality [pooled HR = 0.58 (95% CI, 0.36-0.91)] by shorter dialysis vintage. Conclusion: This meta-analysis indicated that a high Scl level did not predict total clinical outcomes in patients undergoing maintenance haemodialysis despite survival benefits in the subgroups. The predictive role of Scl in these patients should be further evaluated in large prospective studies.

2.
Acta Pharmacol Sin ; 2021 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-34267343

RESUMO

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) can induce acute inflammatory response like acute lung inflammation (ALI) or acute respiratory distress syndrome, leading to severe progression and mortality. Therapeutics for treatment of SARS-CoV-2-triggered respiratory inflammation are urgent to be discovered. Our previous study shows that Salvianolic acid C potently inhibits SARS-CoV-2 infection. In this study, we investigated the antiviral effects of a Salvia miltiorrhiza compound, Danshensu, in vitro and in vivo, including the mechanism of S protein-mediated virus attachment and entry into target cells. In authentic and pseudo-typed virus assays in vitro, Danshensu displayed a potent antiviral activity against SARS-CoV-2 with EC50 of 0.97 µM, and potently inhibited the entry of SARS-CoV-2 S protein-pseudo-typed virus (SARS-CoV-2 S) into ACE2-overexpressed HEK-293T cells (IC50 = 0.31 µM) and Vero-E6 cell (IC50 = 4.97 µM). Mice received SARS-CoV-2 S via trachea to induce ALI, while the VSV-G treated mice served as controls. The mice were administered Danshensu (25, 50, 100 mg/kg, i.v., once) or Danshensu (25, 50, 100 mg·kg-1·d-1, oral administration, for 7 days) before SARS-CoV-2 S infection. We showed that SARS-CoV-2 S infection induced severe inflammatory cell infiltration, severely damaged lung tissue structure, highly expressed levels of inflammatory cytokines, and activated TLR4 and hyperphosphorylation of the NF-κB p65; the high expression of angiotensinogen (AGT) and low expression of ACE2 at the mRNA level in the lung tissue were also observed. Both oral and intravenous pretreatment with Danshensu dose-dependently alleviated the pathological alterations in mice infected with SARS-CoV-2 S. This study not only establishes a mouse model of pseudo-typed SARS-CoV-2 (SARS-CoV-2 S) induced ALI, but also demonstrates that Danshensu is a potential treatment for COVID-19 patients to inhibit the lung inflammatory response.

3.
J Environ Sci Health B ; 56(6): 606-612, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34162318

RESUMO

Organophosphorus pesticides (OP) affect the crops and environments, and the reliable approach to the prediction of soil sorption of pesticides is required. In this respect, we proposed a simple Chemometrics approach, in which the Tchebichef image moment (TM) method was used to extract useful information from the greyscale images of molecular structures and the quantitative model was established by stepwise regression to predict the soil sorption of OPs. Different squared correlation coefficients including the leave-one-out cross-validation (LOO-CV) (Q2) that concerns the training set and the (R2test) which concerns the external independent test set are more than 0.96. This reflects that the established model has considerably high accuracy and reliability. Compared with the literature on the strategies of quantitative structure-property relationship (QSPR), the proposed method is more suitable, in which the established model shows a high predictive ability. Our study provides another effective approach to predict the soil sorption of OPs and also extends the innovative pathway of QSPR modelling.


Assuntos
Modelos Químicos , Compostos Organofosforados/química , Praguicidas/química , Poluentes do Solo/química , Adsorção , Estrutura Molecular , Relação Quantitativa Estrutura-Atividade , Reprodutibilidade dos Testes , Solo/química
4.
J Asian Nat Prod Res ; : 1-7, 2021 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-34190010

RESUMO

Two new furoquinoline alkaloids, named 1'-oxo-isoplatydesmine (1) and demethoxyacrophylline (2), as well as 11 known alkaloids (3-13) were isolated from the root bark of Dictamnus dasycarpus Turcz. The structures of 1 and 2 were established by detailed spectroscopic elucidation, such as 1 D & 2 D NMR and HRMS, etc. The unexpected autoracemization of 1 was discussed based on the stereochemistry of reported dihydrofuroquinolines. Compounds 3-5 exhibited moderate inhibitory activities against Bacillus subtilis, Candida albicans, and Pseudomonas aeruginosa with MICs 32-64 µg/ml, revealing the active principles of D. dasycarpus for treating skin diseases in its traditional usage.

5.
Zhongguo Zhong Yao Za Zhi ; 46(7): 1846-1850, 2021 Apr.
Artigo em Chinês | MEDLINE | ID: mdl-33982490

RESUMO

Indication and functions is an important key information in the research and development of the ancient classical formulas, which directly affects the clinical positioning of the compound formulas and their reasonable, effective and safe use after marke-ting. It is also the embodiment of the ultimate vitality of ancient classical formulas. Due to the particularity of ancient classical formulas, it is of great significance to accurately define and describe the functions and indications of classical formulas to exert their unqiue advantages. Based on the analysis of the provenances, classification of clinical indications, and functions of 100 prescriptions in the Catalogue of Ancient Classical Formulas(First Batch), this paper summarized the incompleteness, irregularity and inconsistency in the original text, the differences in terminology between ancient and modern times, and the evolution of the meanings of prescriptions in different dynasties. In addition, under the guidance of the general principle of textual researh on ancient classical formulas, which is to inherit the essence, make the past serve the present, link up the past and the present, and bulid consensus, this paper proposed the following ideas: respecting the original meanings and provenances of ancient classical formulas, taking full consideration of the development and evolution, serving the current clinical application and health needs, accurately linking up the ancient and modern terminologies, standardizing the expression of traditional Chinese medicine(TCM) terminology, highlighting the characteristics of TCM, attaching importance to the textual research principles and suggestions of post-marketing evidence-based and clinical positioning research, so as to determine the the functions and indications of the ancient classical formulas in a scientific, standardized and reasonable way and better guide the clinical application of the classical formulas.


Assuntos
Medicamentos de Ervas Chinesas , Óleos Voláteis , Medicina Tradicional Chinesa , Prescrições
6.
J Food Sci Technol ; 58(6): 2170-2177, 2021 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-33967314

RESUMO

The determination of curcuminoids in mixtures is more difficult due to their similar chemical structures as well as serious interferences, thus the complex pretreatments of samples and the optimization of experimental conditions are often required. Here, owing to the mathematical separation of chemical signals by Tchebichef image moments, a simple and effective approach to the simultaneous quantitative analysis was proposed, and applied to the determination of the three curcuminoids in turmeric and curry based on their raw fluorescence 3D spectra. For the established linear models, the leave-one-out correlation coefficients (R loo-cv) were more than 0.9816 within the linear ranges, and the predictive correlation coefficients (R p) for the external independent samples were more than 0.9897. The intra- and inter-day precision (less than 6.82%, RSD), average spiked recovery (89.9% ~ 100.8%), LOD (less than 0.07 µg/mL) and LOQ (less than 0.23 µg/mL) suggest that the proposed approach is accurate and reliable. Compared with N-PLS and MCR-ALS methods, our method can obtain more satisfactory results. This study provides a convenient pathway for the rapid analysis of multi-target components with similar chemical structures in mixture of different substrates.

7.
Case Rep Womens Health ; 31: e00321, 2021 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-33968612

RESUMO

The effects of SARS-CoV-2 infection in the first trimester on the pregnant woman and the fetus remain unclear. We describe the complete follow-up of a pregnant woman with asymptomatic SARS-CoV-2 infection in the first trimester. The woman tested positive for SARS-CoV-2 viral RNA in nasopharyngeal swabs in her seventh week of gestation and was admitted to a local hospital for treatment. Although the woman had a BMI above 28 and a total gestational weight gain of 21 kg, no pregnancy complications or severe complications related to SARS-CoV-2 were reported. An ultrasound scan identified no fetal abnormalities at 22 weeks. The pregnancy ended at term (37 weeks), and the newborn's birth weight was 3100 g. Placental insufficiency was revealed by placental histology examination but this appeared not to be related to the SARS-CoV-2 infection. In-situ hybridisation and immunohistochemical tests for SARS-CoV-2 RNA, spike protein 1, and nucleocapsid proteins were negative. However, ACE-2 was positive in samples of the placenta, umbilical cord and fetal membrane. The baby was followed up through to 10 days after birth and grew normally. Our results suggest that asymptomatic SARS-CoV-2 infection in the first trimester of pregnancy might not have significant harmful effects on the mother and the developing fetus. This finding may be of interest to the general public, midwives and general practitioners. However, large population studies are needed to confirm our findings.

8.
Talanta ; 231: 122414, 2021 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-33965054

RESUMO

Biosensors based on various spectroscopic techniques discriminate the target microRNA (miRNA) from non-target ones with single nucleotide polymorphisms (SNPs) according to the differences in signal intensities which can be caused by other factors besides SNPs. As a result, they are liable to produce false positive results. Herein, we report an attempt to develop a false-positive resistance, sensitive and reliable mass spectrometric platform for miRNA detection. In the proposed platform, the qualitative and quantitative information of the target miRNA was obtained through analyzing mass spectral responses of the multiply charged ions of the residual fragments of the probe DNA produced during exonuclease III assisted signal amplification reaction using an advanced data analysis method. The proposed platform could achieve sensitive and accurate quantitative results for the target miRNA (e.g., miRNA-141) in complex medium with a detection limit of about 1 pM, and unambiguously identify non-target miRNAs with SNPs based on the length distribution patterns of residual fragments of probe DNA. The findings obtained in this study might open an avenue for the design of new miRNA detection methods based on mass spectrometry in combination with various nuclease assisted signal amplification strategies.


Assuntos
Técnicas Biossensoriais , MicroRNAs , DNA/genética , Exodesoxirribonucleases/genética , Limite de Detecção , Espectrometria de Massas , MicroRNAs/genética , Técnicas de Amplificação de Ácido Nucleico
9.
Brain Res ; 1751: 147176, 2021 01 15.
Artigo em Inglês | MEDLINE | ID: mdl-33121922

RESUMO

Intelligence is a form of advanced cognition that includes reasoning, problem solving, pattern recognition, and establishing relationships among items. The amygdala plays an important role in cognitive processing, but the relationship between amygdalar function and intelligence has rarely been explored directly. Here, we investigated the relationship between resting-state functional connectivity (RSFC) of the amygdala and intelligence test performance in a large sample of healthy adults (N = 197). We found that two pairs of RSFCs were significantly increased in the high IQ group compared with that of the general IQ group. One of these RSFCs consisted of the right amygdala and the right superior parietal lobule, whereas the other RSFC consisted of the right amygdala and the left middle cingulum. In addition, we found that the brain regions in which the strength of RSFC significantly correlated with full IQ (FIQ) were mainly distributed in the parietal and limbic lobes. What's more, a further mediation analysis indicated that the functional connectivity of the right amygdala and the right superior parietal lobule significantly mediated the correlation between comprehension and object assembly, whereas the functional connectivity of the right amygdala and the left middle cingulum mediated the association between similarities and digit symbol. These findings suggest that amygdalar RSFC may reflect individual differences in intelligence and mediate specific relationships among different intellectual abilities.

10.
Curr Med Chem ; 28(8): 1585-1604, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-32660395

RESUMO

BACKGROUND: The casein kinase 1 (CK1) family is involved in regulating many cellular processes, including membrane trafficking, DNA damage repair, cytoskeleton dynamics, cytoskeleton maintenance and apoptosis. CK1 isoforms, especially CK1δ and CK1ε have emerged as important therapeutic targets for severe disorders such as Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), familial advanced sleep phase syndrome and cancer. Due to the importance of CK1 for the pathogenesis of disorders, there are great interests in the development of CK1 inhibitors. METHODS: Using SciFinder® as a tool, the publications about the biology of CK1 and the recent developments of CK1 inhibitors were surveyed with an exclusion of those published as patents. RESULTS: This review presents the current state of knowledge on the development of CK1 inhibitors, including both synthetic small molecular inhibitors that were divided into 7 categories according to structural features, and the natural compounds. An overview of the advancement of CK1 inhibitors was given, with the introduction of various existing CK1 inhibitors, their inhibitory activities, and the structure-activity relationships. CONCLUSION: Through physicochemical characterization and biological investigations, it is possible to understand the structure-activity relationship of CK1 inhibitors, which will contribute to better design and discovery of potent and selective CK1 inhibitors as potential agents for severe disorders such as AD, ALS and cancer.


Assuntos
Caseína Quinase I , Neoplasias , Apoptose , Caseína Quinase I/metabolismo , Humanos , Neoplasias/tratamento farmacológico , Isoformas de Proteínas , Relação Estrutura-Atividade
11.
Dis Markers ; 2020: 4923970, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33299496

RESUMO

Background: The predictive value of soluble Klotho (sKlotho) for adverse outcomes in patients on maintenance hemodialysis (MHD) is controversial. In this study, we aimed to clarify the potential association of sKlotho levels with adverse outcomes in this patient population. Materials: A total of 211 patients on MHD were identified and stratified according to the median sKlotho level. Patients were followed up for adverse outcomes including cardiovascular (CV) morbidity and all-cause mortality. Results: During the 36-month follow-up, 75 patients [51 CV events (including 16 CV deaths) and 40 deaths] experienced adverse outcomes. After stratification according to median sKlotho level, patients with a lower sKlotho level had a greater risk of CV events (38.2% vs. 19.5%, p = 0.006), all-cause mortality (28.4% vs. 11.6%, p = 0.003), and combined adverse outcomes (51.0% vs. 24.2%, p < 0.001). Similar observations were made from analyses using Kaplan-Meier survival curves. Cox regression analysis showed that a low sKlotho level was strongly correlated with CV morbidity [1.942 (1.030-3.661), p = 0.040)], all-cause mortality [2.073 (1.023-4.203), p = 0.043], and combined adverse outcomes [1.818 (1.092-3.026), p = 0.021] in fully adjusted models. Conclusions: The sKlotho level was an independent predictive factor of adverse outcomes including CV morbidity and mortality in patients on MHD.


Assuntos
Biomarcadores/metabolismo , Doenças Cardiovasculares/epidemiologia , Regulação para Baixo , Glucuronidase/metabolismo , Falência Renal Crônica/terapia , Diálise Renal/métodos , Adulto , Idoso , Doenças Cardiovasculares/etiologia , Estudos Transversais , Feminino , Humanos , Estimativa de Kaplan-Meier , Falência Renal Crônica/complicações , Falência Renal Crônica/metabolismo , Falência Renal Crônica/mortalidade , Masculino , Pessoa de Meia-Idade , Morbidade , Mortalidade , Valor Preditivo dos Testes , Prognóstico , Estudos Prospectivos
12.
Free Radic Res ; 54(8-9): 687-693, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-32972269

RESUMO

Found in various natural food products, many in vitro evidence indicated that resveratrol (RES) has been linked to neuroprotective and cardioprotective effects and prevent cancer development. However, human clinical trials have been conducted with varying results, making the usage of RES controversial. In this paper, we demonstrated that the drug RES could be conjugated with the high levels of endogenous GS• in cancer cells. 5,5-Dimethyl-1-Pyrroline-N-Oxide (DMPO) was employed to capture the GS•. The molecular mechanism of the reaction between RES and GS• was further studied by UV-Vis spectrometry, mass spectrometry and Density Functional Theory (DFT) calculations. Besides, the formation of the adduct GS-RES in cancer cell was obtained when RES was added during incubation. Further study indicated that over 77.6% of the RES was consumed in cancer cells. This study suggested that endogenous GS• may be one of the important factors to cause the depletion of anti-tumour drugs during chemotherapy, which should be paid special attention in clinical therapeutics and drug development.


Assuntos
Radicais Livres/uso terapêutico , Glutationa/metabolismo , Neoplasias/genética , Neoplasias/metabolismo , Resveratrol/uso terapêutico , Radicais Livres/farmacologia , Humanos , Resveratrol/farmacologia
13.
Medicine (Baltimore) ; 99(29): e21338, 2020 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-32702931

RESUMO

Anophthalmic patients not only cause obvious functional deficits and facial deformities, but lead to poor psychological outcomes, although prosthesis wearing can offer improvements in psychological well-being to some extent. The study aimed to comprehensively evaluate the psychological symptoms and analyze related factors in anophthalmic patients wearing ocular prosthesis.Total of 150 anophthalmic patients and 120 control subjects were included in this cross-sectional study. Baseline characteristics survey and the symptom checklist-90 scale were completed by all participants to assess the psychological symptoms and analyze their related factors by multivariate analysis.The anophthalmic patients exhibited the increased levels of somatization, depression, anxiety, and hostility compared with control subjects. The most prominent symptom was hostility with the median score of 1.20. Female patients presented with higher somatization, depression, anxiety, and hostility. Marital status single was positively associated with depression, anxiety, and hostility symptoms. Lower education and cause of enucleation were related to higher levels of hostility.Anophthalmic patients wearing ocular prosthesis presented with more prominent hostility and somatization besides its higher depression and anxiety symptoms. The findings suggest that for female single anophthalmic patients with low education, especially caused by trauma, timely psychological assessment and intervention should be provided to avoid undesirable consequences.


Assuntos
Anoftalmia/psicologia , Olho Artificial/psicologia , Adulto , Anoftalmia/complicações , Ansiedade/epidemiologia , Ansiedade/etiologia , Estudos de Casos e Controles , Estudos Transversais , Depressão/epidemiologia , Depressão/etiologia , Feminino , Humanos , Masculino , Estado Civil , Pessoa de Meia-Idade , Fatores de Risco , Transtornos Somatoformes/epidemiologia , Transtornos Somatoformes/etiologia , Inquéritos e Questionários , Adulto Jovem
14.
Ann Palliat Med ; 9(6): 4514-4521, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32692211

RESUMO

BACKGROUND: Shenzhen is a rapidly growing city in China with a population of over 11 million. The Hong Kong University-Shenzhen Hospital (HKU-SZH) was established in 2012 as a new model of publicly funded health care in mainland China. The clinical oncology center of the HKU-SZH was launched in 2013 which pledged to provide integrated palliative care for advanced cancer patients. This study aims to retrospectively analyze the quality of end-of-life care amongst patients with advanced cancer during their last hospitalization in the HKU-SZH. METHODS: Consecutive patients with advanced solid cancer who passed away in the HKU-SZH from March 2013 to February 2016 were analyzed. Clinical information regarding cancer diagnosis, anticancer treatments, and the aggressiveness of the treatment during the last month of life was recorded. The discussions on the Do-Not-Resuscitate (DNR) order with family members were reviewed. RESULTS: From March 2013 to February 2016, 441 patients with advanced solid cancer passed away in the HKU-SZH. A minority of them (9.3%, 41/441) received cytotoxic chemotherapy in the last month of life. Younger patients had high odds of receiving chemotherapy in their last month of life (OR 2.6, P=0.006). Those who received chemotherapy in their last month of life showed a trend of higher odds of admission to the intensive care unit (OR 2.94, P=0.08). The vast majority of family members / care providers (92.3%, 407/441) consented to the DNR order suggested by oncologists. The rate of DNR acceptance in this cohort was higher than previous reports from mainland China. Within HKU-SZH, the rate was higher in the oncology center than in other departments (OR 5.1, P<0.001). The use of chemotherapy in the last month of life did not associated with the acceptance of DNR (OR 1.3, P=0.23). CONCLUSIONS: The integrated oncology service of the new public hospital HKU-SZH achieved a satisfactory level of end-of-life care in patients with advanced cancer. Further studies are warranted to improve the early integration of palliative care service and to investigate the impact of palliative care on costeffectiveness of oncology service.


Assuntos
Neoplasias , Assistência Terminal , China , Hong Kong , Hospitais Públicos , Humanos , Neoplasias/terapia , Cuidados Paliativos , Estudos Retrospectivos
15.
J Ginseng Res ; 44(2): 215-221, 2020 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-32148402

RESUMO

Background: Panax ginseng has been used for a variety of medical purposes in eastern countries for more than two thousand years. From the extensive experiences accumulated in its long medication use history and the substantial strong evidence in modern research studies, we know that ginseng has various pharmacological activities, such as antitumor, antidiabetic, antioxidant, and cardiovascular system-protective effects. The active chemical constituents of ginseng, ginsenosides, are rich in structural diversity and exhibit a wide range of biological activities. Methods: Ginsenoside constituents from P. ginseng flower buds were isolated and purified by various chromatographic methods, and their structures were identified by spectroscopic analysis and comparison with the reported data. The 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H- tetrazolium bromide method was used to test their cytotoxic effects on three human cancer cell lines. Results: Six ginsenosides, namely 6'-malonyl formyl ginsenoside F1 (1), 3ß-acetoxyl ginsenoside F1 (2), ginsenoside Rh24 (6), ginsenoside Rh25 (7), 7ß-hydroxyl ginsenoside Rd (8) and ginsenoside Rh26 (10) were isolated and elucidated as new compounds, together with four known compounds (3-5 and 9). In addition, the cytotoxicity of these isolated compounds was shown as half inhibitory concentration values, a tentative structure-activity relationship was also discussed based on the results of our bioassay. Conclusion: The study of chemical constituents was useful for the quality control of P. ginseng flower buds. The study on antitumor activities showed that new Compound 1 exhibited moderate cytotoxic activities against HL-60, MGC80-3 and Hep-G2 with half inhibitory concentration values of 16.74, 29.51 and 20.48 µM, respectively.

16.
World J Gastroenterol ; 26(5): 535-549, 2020 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-32089629

RESUMO

BACKGROUND: There are few effective tools to predict survival in patients with invasive intraductal papillary mucinous neoplasms of the pancreas. AIM: To develop comprehensive nomograms to individually estimate the survival outcome of patients with invasive intraductal papillary mucinous neoplasms of the pancreas. METHODS: Data of 1219 patients with invasive intraductal papillary mucinous neoplasms after resection were extracted from the Surveillance, Epidemiology, and End Results database, and randomly divided into the training (n = 853) and the validation (n = 366) cohorts. Based on the Cox regression model, nomograms were constructed to predict overall survival and cancer-specific survival for an individual patient. The performance of the nomograms was measured according to discrimination, calibration, and clinical utility. Moreover, we compared the predictive accuracy of the nomograms with that of the traditional staging system. RESULTS: In the training cohort, age, marital status, histological type, T stage, N stage, M stage, and chemotherapy were selected to construct nomograms. Compared with the American Joint Committee on Cancer 7th staging system, the nomograms were generally more discriminative. The nomograms passed the calibration steps by showing high consistency between actual probability and nomogram prediction. Categorial net classification improvements and integrated discrimination improvements suggested that the predictive accuracy of the nomograms exceeded that of the American Joint Committee on Cancer staging system. With respect to decision curve analyses, the nomograms exhibited more preferable net benefit gains than the staging system across a wide range of threshold probabilities. CONCLUSION: The nomograms show improved predictive accuracy, discrimination capability, and clinical utility, which can be used as reliable tools for risk classification and treatment recommendations.


Assuntos
Nomogramas , Ductos Pancreáticos/patologia , Neoplasias Intraductais Pancreáticas/mortalidade , Pancreaticoduodenectomia , Adulto , Fatores Etários , Idoso , Idoso de 80 Anos ou mais , Quimioterapia Adjuvante/estatística & dados numéricos , Feminino , Seguimentos , Humanos , Masculino , Estado Civil , Pessoa de Meia-Idade , Invasividade Neoplásica/patologia , Estadiamento de Neoplasias , Ductos Pancreáticos/cirurgia , Neoplasias Intraductais Pancreáticas/patologia , Neoplasias Intraductais Pancreáticas/terapia , Reprodutibilidade dos Testes , Estudos Retrospectivos , Medição de Risco/métodos , Fatores de Risco , Programa de SEER/estatística & dados numéricos , Fatores Sexuais , Resultado do Tratamento
17.
Arch Environ Contam Toxicol ; 78(4): 545-554, 2020 May.
Artigo em Inglês | MEDLINE | ID: mdl-31915850

RESUMO

Chemicals pollution in the environment has attracted attention all over the world, and the toxicity prediction of chemical pollutants has become quite important. In this paper, we introduce a simple approach to predict the toxicity of some chemical components, in which the Tchebichef image moment (TM) method was employed to extract useful chemical information from the images of molecular structures to establish quantitative structure-activity relationship (QSAR) prediction models. The proposed approach was applied to predict the toxicity of anilines and phenols for the aquatic organisms of P. subcapitata and V. fischeri, in which the obtained TMs were defined as the independent variables, while the biological toxicity (pEC50) was regarded to be the dependent variable. Then, the predictive models were established by stepwise regression, respectively. The obtained squared correlation coefficients of leave-one-out cross-validation (Q2) for training sets and the predictive squared correlation coefficients (Rp2) for test sets of the two groups of data were higher than 0.79 and 0.75, respectively, which indicated that the obtained models possessed satisfactory accuracy and reliability. Compared with several reported methods, the proposed approach was more convenient and has a higher predictive capability. Our study provides another perspective in QSAR research.


Assuntos
Compostos de Anilina/toxicidade , Organismos Aquáticos/efeitos dos fármacos , Modelos Teóricos , Fenóis/toxicidade , Poluentes Químicos da Água/toxicidade , Aliivibrio fischeri/efeitos dos fármacos , Compostos de Anilina/química , Clorófitas/efeitos dos fármacos , Fenóis/química , Valor Preditivo dos Testes , Relação Quantitativa Estrutura-Atividade , Reprodutibilidade dos Testes , Poluentes Químicos da Água/química
18.
Chem Biol Drug Des ; 95(2): 240-247, 2020 02.
Artigo em Inglês | MEDLINE | ID: mdl-31623027

RESUMO

Non-structural viral protein 5B (NS5B) is a viral protein in hepatitis C virus. Although various inhibitors against NS5B have been found, the activity prediction of similar untested inhibitors is still highly desirable. In this respect, the Tchebichef moments (TMs) calculated from the images of molecular structures were regarded as the independent variables while the inhibitory activity (pIC50 ) was the dependent variable, and the predictive model was established by means of stepwise regression. The R-squared of leave-one-out cross-validation (Q2 ) for the training set and the R-squared of prediction ( R p 2 ) for external independent test set were 0.919 and 0.927, respectively. The obtained model was also evaluated strictly. Compared with the multivariate curve resolution with alternating least squares (MCR-ALS) and the QSAR approaches derived from the literature, the proposed method is more accurate and reliable. This study not only provides an effective approach to predict the biological activity of RNA replication's inhibitors, but also extends the QSAR modeling technique.


Assuntos
Antivirais/farmacologia , Hepacivirus/efeitos dos fármacos , Indóis/farmacologia , Proteínas não Estruturais Virais/antagonistas & inibidores , Antivirais/química , Hepacivirus/enzimologia , Indóis/química , Modelos Moleculares , Relação Quantitativa Estrutura-Atividade
19.
J Nanosci Nanotechnol ; 20(5): 2832-2839, 2020 05 01.
Artigo em Inglês | MEDLINE | ID: mdl-31635619

RESUMO

Magnetic NiFe2O4 nanoparticles were successfully prepared via the coprecipitation process with ferric nitrate, nickel nitrate, and sodium hydroxide as raw materials, and they were characterized by the scanning electron microscopy (SEM), the transmission electron microscope (TEM), the X-ray diffraction (XRD), the vibrating sample magnetometer (VSM), the energy dispersive spectroscopy (EDS) and the Brunauer-Emmett-Teller (BET). The magnetic NiFe2O4 nanoparticles were employed to research the adsorption performance of reactive red 2BF (RR-2BF) onto them, and they revealed very large adsorption capacity of RR-2BF. The adsorption kinetics data were evaluated with the pseudo first-order, the pseudo second-order and the intraparticle diffusion models, and the results showed that the pseudo second-order kinetics model was best fitted for the adsorption of RR-2BF onto magnetic NiFe2O4 nanoparticles. While, the adsorption isotherm experiments were carried out at room temperature, and the experimental data conformed to the Langmuir model, which suggested that the adsorption of RR-2BF onto magnetic NiFe2O4 nanoparticles was the monolayer adsorption process. The magnetic NiFe2O4 nanoparticles revealed good reusability, and the adsorption capacity was maintained over 80% of the initial capacity after being used for five cycles.

20.
J Chem Inf Model ; 59(10): 4159-4166, 2019 10 28.
Artigo em Inglês | MEDLINE | ID: mdl-31525291

RESUMO

To extract the features in first-order or second-order signals, the two kinds of discrete Shmaliy moment (DSM) methods were proposed and applied to the quantitative analysis of multitarget compounds in complexes based on the UV-vis and high-performance liquid chromatography with pulsed amperometric detector (HPLC-PAD) spectra of samples for the first time. All the statistical parameters demonstrated that the obtained models were accurate and the established analytical methods were reliable, even in the presence of a different degree of overlapping signals as well as various interferences. Compared with Tchebichef moment (TM) and other classical methods such as multivariate curve resolution-alternating least-squares (MCR-ALS), partial least-squares (PLS) regression, and N-way partial least-squares (N-PLS), the proposed methods are more convenient and efficient, which not only provides another suitable tool for the quantitative analysis of multitarget components in complex samples but also extends the application of moment invariants in chemical signal analyses.


Assuntos
Bases de Dados de Compostos Químicos , Desenvolvimento de Medicamentos , Cromatografia Líquida de Alta Pressão , Análise dos Mínimos Quadrados , Reprodutibilidade dos Testes , Análise Espectral
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