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With the rapid spread of the novel coronavirus (COVID-19), a sustained global pandemic has emerged. Globally, the cumulative death toll is in the millions. The rising number of COVID-19 infections and deaths has severely impacted the lives of people worldwide, healthcare systems, and economic development. We conducted a retrospective analysis of the characteristics of COVID-19 patients. This analysis includes clinical features upon initial hospital admission, relevant laboratory test results, and imaging findings. We aimed to identify risk factors for severe illness and to construct a predictive model for assessing the risk of severe COVID-19. We collected and analyzed electronic medical records of confirmed COVID-19 patients admitted to the Affiliated Hospital of Jiangsu University (Zhenjiang, China) between December 18, 2022, and February 28, 2023. According to the WHO diagnostic criteria for the novel coronavirus, we divided the patients into two groups: severe and non-severe, and compared their clinical, laboratory, and imaging data. Logistic regression analysis, the least absolute shrinkage and selection operator (LASSO) regression, and receiver operating characteristic (ROC) curve analysis were used to identify the relevant risk factors for severe COVID-19 patients. Patients were divided into a training cohort and a validation cohort. A nomogram model was constructed using the "rms" package in R software. Among the 346 patients, the severe group exhibited significantly higher respiratory rates, breathlessness, altered consciousness, neutrophil-to-lymphocyte ratio (NLR), and lactate dehydrogenase (LDH) levels compared to the non-severe group. Imaging findings indicated that the severe group had a higher proportion of bilateral pulmonary inflammation and ground-glass opacities compared to the non-severe group. NLR and LDH were identified as independent risk factors for severe patients. The diagnostic performance was maximized when NLR, respiratory rate (RR), and LDH were combined. Based on the statistical analysis results, we developed a COVID-19 severity risk prediction model. The total score is calculated by adding up the scores for each of the twelve independent variables. By mapping the total score to the lowest scale, we can estimate the risk of COVID-19 severity. In addition, the calibration plots and DCA analysis showed that the nomogram had better discrimination power for predicting the severity of COVID-19. Our results showed that the development and validation of the predictive nomogram had good predictive value for severe COVID-19.
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COVID-19 , Nomogramas , Índice de Severidad de la Enfermedad , Humanos , COVID-19/epidemiología , COVID-19/diagnóstico , COVID-19/complicaciones , Masculino , Femenino , Factores de Riesgo , Persona de Mediana Edad , Estudios Retrospectivos , Anciano , Adulto , SARS-CoV-2/aislamiento & purificación , China/epidemiología , Curva ROCRESUMEN
BACKGROUND: The novel COVID-19 was rapidly spreading and was highly contagious. COVID-19 caused over 6 million deaths worldwide, with high mortality rates, particularly in severe cases. OBJECTIVE: This study aimed to investigate whether serum albumin-neutrophil count to lymphocyte count ratio (NLR) score (ANS) could be used as a prognostic indicator of COVID-19 severity. DESIGN: A retrospective study. PARTICIPANTS: Based on the WHO diagnostic criteria, patients were classified as either non-severe (n=270) or severe (n=100). PRIMARY AND SECONDARY OUTCOME MEASURES: NLR, serum albumin level and ANS. MAIN RESULTS: The NLR of patients with severe disease was significantly higher than that of those with non-severe disease. Serum albumin levels were significantly lower in patients with severe disease than in those with non-severe disease. The cut-off values representing the maximum potential effectiveness of serum albumin and NLR were 33.5 g/L and 8.25, respectively, according to the Youden index. In patients with severe COVID-19, we observed that the serum albumin level, NLR and ANS were independent prognostic indicators of severe COVID-19 using logistic analysis. The relative risk of severe COVID-19 was 7.65 (95% CI 3.72 to 15.75, p<0.05) in the ANS 2 group compared with that in ANS 0. CONCLUSIONS: ANS could be used as a prognostic indicator of COVID-19 severity.
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Biomarcadores , COVID-19 , Neutrófilos , SARS-CoV-2 , Albúmina Sérica , Índice de Severidad de la Enfermedad , Humanos , COVID-19/sangre , COVID-19/diagnóstico , COVID-19/mortalidad , Estudios Retrospectivos , Femenino , Masculino , Persona de Mediana Edad , Anciano , Biomarcadores/sangre , Albúmina Sérica/análisis , Albúmina Sérica/metabolismo , Pronóstico , Recuento de Linfocitos , Hospitalización , Adulto , Recuento de LeucocitosRESUMEN
Objective: This study aims at assessing the potential benefits of observation of monocyte-to-albumin ratio (MAR) and neutrophil percentage-to-hemoglobin ratio (NPHR) in the detection of non-small cell lung cancer (NSCLC). Methods: This study retrospectively involved 195 NSCLC patients and 204 healthy volunteers. The correlations between the clinicopathological characteristics of NSCLC and the two ratios including MAR and NPHR were assessed. The diagnostic efficiency of NSCLC patients by MAR and NPHR, alone or in combination with carcinoembryonic antigen (CEA), was assessed by receiver operating characteristic (ROC) curve. The risk factors for NSCLC were analyzed with binary logistic regression. Results: Compared to healthy controls, the levels of MAR and NPHR in NSCLC patients were elevated. MAR and NPHR were related to clinicopathologic characteristics and increased significantly along with the progression of NSCLC. The area under the curve (AUC) for 95% confidence interval (95% CI) of MAR and NPHR in the diagnosis of NSCLC was 0.812 (0.769-0.854) and 0.724 (0.675-0.774), respectively. The combination of MAR, NPHR, and CEA achieved the highest diagnostic utility compared to each individually or combined markers (AUC, 0.86; 95% CI, 0.824-0.896; sensitivity, 72.8%; specificity, 87.3%). Further analysis showed that MAR combined with NPHR presented the potential to detect early-stage (IA-IIB) NSCLC (AUC, 0.794; 95% CI, 0.743-0.845; sensitivity, 55.1%; specificity, 87.7%). The result indicated that MAR and NPHR might be risk factors for NSCLC. Conclusion: MAR and NPHR could be novel and effective auxiliary indexes in the detection of NSCLC, especially when combined with CEA.
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The present study aimed to evaluate the potential of the monocyte to red blood cell count ratio (MRR), the neutrophil to red blood cell count ratio (NRR), the lymphocyte to red blood cell count ratio (LRR) and the product of lymphocyte count and albumin concentration (LA) for the diagnosis of lung cancer. The cases of 216 patients with newly diagnosed lung cancer and 184 healthy volunteers were retrospectively analysed. The MRR and NRR were found to be higher in patients with lung cancer compared with those in healthy controls, while the LRR and LA were lower. The receiver operating characteristic curve analysis revealed that of the four markers, the MRR and LA yielded a higher area under the curve (AUC) (MRR: AUC, 0.810; 95% CI, 0.768-0.847; and LA: AUC, 0.721; 95% CI, 0.674-0.764). The combination of MRR, LA, carcinoembryonic antigen (CEA) and cytokeratin 19 fragment antigen 21-1 (CYFRA21-1) achieved the highest diagnostic value when compared with other single or combined markers (AUC, 0.882; 95% CI, 0.846-0.912; sensitivity, 81.9%; specificity, 81.0%). As the disease progressed, the MRR tended to increase, while LA exhibited a decreasing trend. Binary logistic regression analysis revealed an increase in the MRR, as well as in CEA and CYFRA21-1 concentrations, and a decrease in the LA, which could all be possible risk factors for lung cancer. Differences in the MRR and LA between patients with early stage (IA-IIIA) lung cancer and healthy controls were observed. Further analysis revealed that the MRR also exhibited the potential to detect early stage (IA-IIIA) lung cancer in the model. The present findings demonstrated that the MRR and LA may be used as auxiliary biomarkers for the diagnosis of lung cancer and could partly indicate disease progression.
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Objective: The aim of this study is to investigate the influence of grading rehabilitation nursing mode on limb function, speech function, and QOL of stroke patients. Methods: From January 2018 to April 2019, the stroke patients who received treatment in our hospital were selected as the study participants. Based on the random number table, they were assigned to CG (n = 60) and OG (n = 60). The routine rehabilitation nursing mode was used in the CG, and the grading rehabilitation nursing mode was used in the OG. The limb function, speech function, QOL, and nursing satisfaction were evaluated in both the groups, and the survival curve was analyzed after 12 months of follow-up. Results: The motor function of upper and lower limbs in OG was significantly higher than that in CG, and the total effective rate of speech function recovery in OG was 95.00%, which was obviously higher than 81.67% in CG (P < 0.05); the total QOL score in OG was (80.72 ± 7.15), which was significantly higher than (69.53 ± 6.42) in CG. The nursing satisfaction of the OG was higher (P < 0.05). The Kaplan-Meier curve analysis revealed that the difference of 12-month survival rate between CG and OG was statistically significant (χ 2 = 4.710, P=0.030). Conclusion: The application of grading rehabilitation nursing mode in stroke patients can effectively facilitate the recovery of extremity function and speech function, ameliorate the QOL and nursing satisfaction of patients, reduce the death and disability of patients, and prolong the survival time of patients.
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As an alternative mesenchymal stem cell- (MSC-) based therapy, MSC-derived extracellular vesicles (EVs) have shown promise in the field of regenerative medicine. We previously found that human umbilical cord mesenchymal stem cell-derived EVs (hUCMSC-EVs) improved functional recovery and nerve regeneration in a rat model of sciatic nerve transection. However, the underlying mechanisms are poorly understood. Here, we demonstrated for the first time that hUCMSC-EVs promoted the proliferation of Schwann cells by activating the PI3K/AKT signaling pathway. Furthermore, we showed that hUCMSC-EVs mediated Schwann cell proliferation via transfer of miR-21. Our findings highlight a novel mechanism of hUCMSC-EVs in treating peripheral nerve injury and suggest that hUCMSC-EVs may be an attractive option for clinical application in the treatment of peripheral nerve injury.
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Asthma is a common chronic inflammatory airway disease; however, whether microRNAs (miRs) could be used in the treatment of asthma remains unclear. The aim of the present study was to investigate the role of miR6255p in the inflammatory response of human bronchial epithelial cells (HBECs). Inflammation in the HBEC line, 16HBEC, was induced using different concentrations of lipopolysaccharide (LPS), which demonstrated that 1 µg/ml LPS was an appropriate concentration for further experiments. The association between protein kinase B2 (AKT2) and miR6255p was verified using a luciferase reporter assay. LPS was added to 16HBECs following the administration of miR6255p mimics or miR6255p inhibitors, and cells with silenced or overexpressed AKT2 levels. miR6255p was expressed at a high level in LPSactivated 16HBECs. Overexpression of miR6255p inhibited interleukin (IL)6 and tumor necrosis factor (TNF)α secretion in 16HBECs. Inhibition of miR6255p enhanced LPSinduced IL6 and TNFα secretion. miR6255p negatively regulated the expression of AKT2 in 16HBECs. A dualluciferase reporter assay system confirmed that miR6255p directly targeted the 3'untranslated region of AKT2. Transfection with a small interfering RNA against AKT2 inhibited inhibitor of κB phosphorylation. In brief, miR6255p may protect LPSinduced HBECs by targeting AKT2 and inhibiting the nuclear factorκB signaling pathway. Therefore, miR6255p may function as an inhibitor of asthma airway inflammation in HBECs by targeting AKT2.
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Bronquios/metabolismo , Inflamación/genética , MicroARNs/genética , Proteínas Proto-Oncogénicas c-akt/genética , Células Epiteliales Alveolares/efectos de los fármacos , Células Epiteliales Alveolares/metabolismo , Células Epiteliales Alveolares/patología , Bronquios/patología , Regulación de la Expresión Génica/genética , Humanos , Inflamación/inducido químicamente , Inflamación/patología , Interleucina-6/genética , Lipopolisacáridos/toxicidad , FN-kappa B/genética , Fosforilación , Proteínas Proto-Oncogénicas c-akt/metabolismo , Transducción de Señal/genética , Factor de Necrosis Tumoral alfaRESUMEN
Previous studies demonstrated long-term stimulation of some commercial personal care products (PCPs) on freshwater luminescent bacteria Vibrio qinghaiensis sp.-Q67 (Q67). However, whether a certain component can affect mixture's hormetic effect is still unknown. In this paper, two of ingredients in PCPs, 2-phenoxyethanol (PhE) and polyethylene glycol 400 (PEG400), were selected as object compounds to explore the relationship between concentration-response (CR) of mixtures and that of a single component. It was found that PEG400 has monotonic CR (MCR) on Q67 both at the short-term (0.25â¯h) and long-term (12â¯h) exposures while PhE has MCR at 0.25â¯h and hormetic CR (HCR) at 12â¯h. Here, the concentration-response curves (CRCs) of PEG400 at 0.25 and 12â¯h are overlapped each other and the CRCs of PEG400 are on the right of PhE. If the pEC50 is taken as a toxic index, the toxicities of PEG400 at two times are basically the same, and those of PhE are the same, too, but PhE is twice as toxic as PEG400. For the mixtures of PEG400 and PhE, all rays except R1 have MCRs at 0.25â¯h while all rays have HCRs at 12â¯h where the higher the mixture ratio of PhE is, the more negative the maximum stimulation effect is. More importantly, the Emin values of all rays are more negative (1.79-3.17-fold) than that of PhE worked alone, which implies that the introduction of PEG400 significantly enhances stimulative effect of PhE. At 0.25â¯h, all binary mixture rays but R1 produce a low-concentration additive action and high-concentration synergism. At 12â¯h, all rays display additive action, antagonism, additive action, and synergism in turn when the concentration changes from low to high. The overall findings suggested toxicological interactions should be considered in the risk assessment of PCPs and their potential impacts on ecological balances.
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Glicoles de Etileno/toxicidad , Polietilenglicoles/toxicidad , Vibrio/efectos de los fármacos , Contaminantes Químicos del Agua/toxicidad , Cosméticos/química , Interacciones Farmacológicas , Hormesis , Luminiscencia , Factores de Tiempo , Pruebas de ToxicidadRESUMEN
A cobalt-catalyzed decarboxylative cross-coupling reaction of (hetero)aryl carboxylic acids with benzothiazoles or benzoxazoles is reported. This represents a first example of metal-catalyzed decarboxylative C-H heteroarylation of benzo-fused heterocycles. The transformation provides a convenient route, with good yields and functional group tolerance, to various important arylheteroaryl and unsymmetrical biheteroaryl structural motifs.
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OBJECTIVE: To detect the expressions of Ras and Sos1 proteins in human epithelial ovarian cancer (EOC) tissues and explore their correlation with the clinicopathological features of the patients. METHODS: The expressions of Ras and Sos1 proteins were detected immunohistochemically in 62 EOC tissues, 5 borderline ovarian cancer tissues, 15 benign epithelial ovarian neoplasm tissues, and 18 normal ovarian tissues. RESULTS: The EOC tissues showed significantly higher expression levels of both Ras and Sos1 than the other tissues tested (P<0.05). In EOC tissues, Ras and Sos1 proteins were expressed mostly on the cell membrane and in the cytoplasm. The expression level of Ras was correlated with pathological types of the tumor (P<0.05) and was the highest in serous cystadenomcarcinoma; Sos1 expression did not show significant correlation with the clinicopathological indexes of the patients. High expressions of both Ras and Sos1 proteins were associated with shorter progression-free survival of the patients, but this association was not statistically significant. CONCLUSIONS: Ras and Sos1 protein may participate in in the occurrence and development of EOC. The tissue-specific variation of Ras expression can lend support to a specific diagnosis of ovarian serous adenocarcinoma. The association of Ras and Sos1 protein expression with the tumor-free survival time of the patients awaits further investigation with a larger sample size.
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Genes ras , Neoplasias Glandulares y Epiteliales/genética , Neoplasias Ováricas/genética , Proteína SOS1/genética , Carcinoma Epitelial de Ovario , Supervivencia sin Enfermedad , Femenino , Humanos , Neoplasias Glandulares y Epiteliales/diagnóstico , Neoplasias Ováricas/diagnósticoRESUMEN
The cobalt-catalyzed cross-dehydrogenative coupling of (benz)oxazoles and ethers is described. Access to some important bioactive heteroaryl ether derivatives was achieved using CoCO3 as an inexpensive catalyst at levels as low as 1.0 mol %. Investigation of the mechanism indicates a catalytic cycle involving a radical process.
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BACKGROUND: Scientific workers play an important role in the development of science and technology. However, evidence is lacking with regard to the associations between their dietary factors and their health-related quality of life (HRQOL). METHODS: A cross-sectional survey was conducted among 775 scientific workers from multiple universities and institutes in the Southwest region of China. A self-administered food-frequency questionnaire was used to collect the food consumption information, and the 36-item Short-Form Health Survey was used to assess physical HRQOL. Hierarchical multiple regression analysis was used to identify the factors associated with scientific workers' HRQOL. RESULTS: Physical HRQOL was negatively associated with age and intake of fresh pork (fat) and animal viscera, whereas consumption of vegetables, fruits, refined cereals and dairy products were positively correlated with physical HRQOL. Participants with daily intake of vegetable oils or mixed oils showed higher physical HRQOL scores than those with intake of animal oils. CONCLUSIONS: Dietary habits are closely associated with the physical HRQOL of scientific workers. The dietary patterns that had more vegetables and fruits, less fresh pork (fat) and animal viscera, and used vegetable oils during cooking corresponded to higher physical HRQOL scores. These findings are important for planning dietary strategies to improve physical health in scientific workers.
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Pueblo Asiatico/psicología , Actitud Frente a la Salud , Dieta/estadística & datos numéricos , Conducta Alimentaria/psicología , Estado de Salud , Personal de Laboratorio/psicología , Calidad de Vida/psicología , Adulto , Anciano , China , Estudios Transversales , Femenino , Humanos , Masculino , Persona de Mediana Edad , Análisis de Regresión , AutoinformeRESUMEN
Environmental problems as well as their related ecosystem stress and human health risk in China have raised wide concerns along with the rapid economic development in recent years. Numerous studies with a sharp increase in publication number have addressed the ubiquitous of anthropogenic chemicals in various environmental compartments and human tissues. However, very few data were available to clarify the temporal trend and to give the retrospective analysis of chemical pollution in China. Environmental Specimen Bank (ESB) is a system for the systematic collection and long-term storage of specimens, which has been established since the 1970s in developed counties and recognized as a fundamental complement for environmental monitoring and scientific research. Currently, the value of ESB is becoming more broadly recognized globally, and China is still at the early stage. This article described the history and status and put forwarded the future key points of Chinese ESB development for illustrating the intensive environmental changes in China and the world.
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Monitoreo del Ambiente/métodos , Contaminación Ambiental/prevención & control , Bancos de Muestras Biológicas , China , Ecosistema , HumanosRESUMEN
Toll-like receptor (TLR) 7 and 8 mediate anti-virus immunity and are of particular relevance to asthma. However, very little information about genetic association on TLR7/8 and asthma are available. This study aimed to evaluate the effects of polymorphisms in TLR7 and 8 on asthma risk and asthma-related phenotypes in a Chinese Han population. We enrolled 462 unrelated adult asthmatic patients and 398 healthy volunteers. The genotypes of tagging single nucleotide polymorphisms (SNPs) in TLR7 and 8 genes were determined using multiplex SNaPshot SNP genotyping assay. We used case-control and case-only studies to assess any links with asthma and asthma-related phenotypes. There was no association between the variants in TLR7 and 8 and asthma susceptibility. However, our results revealed that the genetic variants in TLR7 and 8 were associated with asthma-related phenotypes, including eosinophil counts, serum immunoglobulin E levels, lung function, and asthma severity as well. Our study suggests that TLR7 and 8 polymorphisms may play a considerable role in the pathogenesis of asthma. It will help in better understanding the pathogenesis of asthma and development of more effective strategies for asthma prevention, prediction, and therapy.
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Asma/genética , Polimorfismo de Nucleótido Simple , Receptor Toll-Like 7/genética , Receptor Toll-Like 8/genética , Adolescente , Adulto , Anciano , Asma/etiología , Estudios de Casos y Controles , China/etnología , Femenino , Genotipo , Humanos , Masculino , Persona de Mediana Edad , FenotipoRESUMEN
Various chemicals in the environment always exist as mixtures. Toxicity interaction within mixtures may pose potential hazards and risks to the environmental safety and human health. Recent studies showed that toxicity interaction by ionic liquid (IL) mixtures can be related to a certain component. To identify the component, we developed a novel procedure integrating an up-to-down process with the uniform design-based ray method (UDUD) and applied it into an IL mixture system of four 1-butyl-3-methylimidazolium ILs (simply [bmim]X) where X=Cl(-), Br(-), CH3OSO3(-) and CH3(CH2)7OSO3(-). It was shown that two mixture rays in the quaternary system exhibited significant antagonistic interaction. In this paper, the UDUD was first employed to design four ternary mixture systems. The microplate toxicity analysis was used to determine the toxicities of various mixtures to a freshwater photobacterium Vibrio qinghaiensis sp.-Q67. The concentration addition was taken as an additive reference to assess the toxicity interactions taking place in mixtures. The results revealed that some ternary mixture rays including [bmim]CH3(CH2)7OSO3 display antagonism while the ternary rays without [bmim]CH3(CH2)7OSO3 exhibit additivity. On these grounds, we again designed all binary mixtures containing [bmim]CH3(CH2)7OSO3, determined their toxicities and assessed toxicity interaction. The results showed that three binary mixture systems produce antagonism. Thus, it may be concluded that [bmim]CH3(CH2)7OSO3 is indeed a key component inducing mixture antagonism.
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Imidazoles/toxicidad , Imidazoles/química , Líquidos Iónicos/química , Líquidos Iónicos/toxicidad , Pruebas de Toxicidad , VibrioRESUMEN
OBJECTIVE: To observe the neurologic damage in rat hippocampus after electromagnetic field (EMF) acute or chronic irradiation and research the protective effects of Chinese medicine diet (CMD) which comprised ferulic acid, ginsenoside, astragalus polysaccharide and rhodiola sachalinensis. METHODS: Eighty rats were divided into ten groups (n = 8): normal diet with shame irradiation group (NS), normal diet with chronic irradiation group (NCI), three groups of normal diet with acute irradiation after 3 h, 24 h, 72 h (NAI), Chinese medicine diet with shame irradiation group (CS), Chinese medicine diet with chronic irradiation group (CCI), three groups of Chinese medicine diet with acute irradiation after 3 h, 24 h, 72 h (CAI). The chronic EMF irradiation were performed by electromagnetic wave at 15 W/cm2 for 20 min everyday for 8 weeks continuously. The acute EMF irradiation were performed by electromagnetic wave at 65 W/cm2 for 20 min after feeding with CMD for 8 weeks. The learning and memory were evaluated by Morris water maze before/after electromagnetic wave irradiation. The apoptotic cells in hippocampus was detected by Tunel staining. The peroxidation damage of EMF and the protective effect of CMD intervention were assayed by measuring superoxide dismutase (SOD), malondialdehyde (MDA), glutathione peroxidase (GSH-Px) and reactive oxygen species (ROS). RESULTS: The acute and chronic EMF irradiation disturbed the ability of learning and memory significantly (P < 0.05), CMD intervention markedly antagonized this effect. The apoptotic cells in hippocampus increased evidently after EMF irradiation (P < 0.05), but CMD intervention reduced the apoptotic cells. The acute and chronic EMF irradiation induced the oxidative stress by down-regulating SOD activity, GSH-Px activity, ROS inhibiting and up-regulating the content of MDA obviously (P < 0.05), and CMD intervention reduced peroxidation damage significantly (P < 0.05). CONCLUSION: The acute and chronic EMF irradiation could initiate neurologic damage in hippocampus. CMD intervention has protective effect on the impaired learning and memory, the neuron apoptosis, the peroxidation damage induced by EMF irradiation. CMD intervention plays a significant protective role in antagonizing neurologic damage in the later stage of acute irradiation and chronic irradiation.
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Medicamentos Herbarios Chinos/uso terapéutico , Campos Electromagnéticos/efectos adversos , Hipocampo/efectos de la radiación , Fitoterapia , Traumatismos Experimentales por Radiación/tratamiento farmacológico , Animales , Apoptosis , Femenino , Masculino , Oxidación-Reducción , Estrés Oxidativo , Ratas , Especies Reactivas de OxígenoRESUMEN
Encapsulating anticancer drugs to synthetic polymer is a promising approach to improve the efficiency and reduce the side effects of anticancer drugs. In this study, novel chitosan derivatives with polyamidoamine moieties (CS-PAMAM) were synthesized and characterized by morphology, particle size, and zeta potential. Then the anticancer drug-methotrexate-encapsulated CS-PAMAM was prepared by hydrophobic-hydrophilic interactions. The drug release assay showed that the amount of the methotrexate release from CS-PAMAM was pH depended. Meanwhile, the cell viability assay illustrated that CS-PAMAM was suitable for the drug delivery because of its low cytotoxicity on cells. Moreover, our results showed that the CS-PAMAM could significantly improve the cytotoxicity of free methotrexate on A549 cells. These results demonstrate that CS-PAMAM may provide a suitable platform for the water-insoluble drug delivery.
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Antineoplásicos/química , Quitosano/química , Dendrímeros/química , Portadores de Fármacos/química , Metotrexato/química , Nanopartículas/química , Animales , Transporte Biológico , Línea Celular Tumoral , Supervivencia Celular/efectos de los fármacos , Dendrímeros/síntesis química , Dendrímeros/metabolismo , Dendrímeros/toxicidad , Portadores de Fármacos/síntesis química , Portadores de Fármacos/metabolismo , Portadores de Fármacos/toxicidad , Fluoresceína-5-Isotiocianato/química , Espacio Intracelular/metabolismo , Ratones , Agregación Plaquetaria/efectos de los fármacosRESUMEN
Quantitative structure-retention relationships (QSRRs) model was developed for predicting the gas chromatography retention indices of 169 constituents of essential oils. The ordered predictors selection algorithm was used to select three descriptors (one constitutional index and two edge adjacency indices) from 4885 descriptors. The final QSRR model (model M3) with three descriptors was internal and external validated. The leave-one-out cross-validation, leave-many-out cross-validation, bootstrapping, and y-randomization test indicated the final model is robust and have no chance correlation. The external validations indicated that the model M3 showed a good predictive power. The mechanistic interpretation of QSRR model was carried out according to the definition of descriptors. The results show that the larger molecular weight, the greater the values of retention indices. More compact structures have stronger intermolecular interactions between the components of essential oils and the capillary column. Therefore, the result meets the five principles recommended by the Organization for Economic Co-operation and Development (OECD) for validation of QSRR model, and it is expected the model can effectively predict retention indices of the essential oils.
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Modelos Químicos , Aceites Volátiles/química , Algoritmos , Cromatografía de Gases , Estructura Molecular , Aceites Volátiles/normas , Relación Estructura-Actividad CuantitativaRESUMEN
Two novel bpy-bridged Co(II) Schiff base complexes have been synthesized by the hydro(solvo)thermal reactions of corresponding amino-acid-based Schiff bases, bpy and Co(NO(3))(2)·6H(2)O. The following formulae identify the two complexes: {[Co(napala)(bpy)(0.5)]·H(2)O}(n) (1) and [Co(napgly)(bpy)(0.5)](n) (2) [H(2)napala = N-(2-hydroxy-1-naphthylmethylidene)-D/L-alanine, H(2)napgly = N-(2-hydroxy-1-naphthylmethylidene)-glycine and bpy = 4,4'-bipyridine]. These two compounds have been characterized using single-crystal X-ray diffraction, infrared, powder X-ray diffraction, thermogravimetric analysis, optical spectra analysis, and magnetic measurement. Complex 1 features an unprecedented threefold interpenetrated diamond network based on the fan-shaped Co(II)(4)(µ(2)-napala)(4) molecular square node and bpy linker, which represents the first example of 3D framework among the amino-acid-based Schiff base complexes with salicylaldehyde or its derivatives. In 2, adjacent Co(II) ions are bridged by µ(2)-napgly(2-) to form left- and right-handed [Co(II)(µ(2)-napgly)](n) helical chains. These two types of helical chains are sustained alternately by a symmetrical bpy co-ligand into a 2D grid-based layer. The solid-state fluorescence of complexes 1 and 2 are quenched almost completely compared with free mixed-ligands at room temperature. Moreover, magnetic studies show the dominant antiferromagnetic coupling between the Co(II) centers mediated by the syn-anti-COO(-)-bridges in both complexes.