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1.
Int J Gen Med ; 17: 3813-3824, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39246805

RESUMEN

Objective: To develop an early warning system that enables accurate parametrial invasion (PMI) risk prediction in cervical cancer patients with early-stage. Methods: We retrospectively collected 218 early-stage cervical cancer patients who were treated in Jingzhou Central Hospital from January 31, 2015, to January 31, 2023, and diagnosed with early stage cervical cancer by pathology. The prediction model training is achieved by randomly dividing 70% of the training queue population, with the remaining 30% used as the testing queue. Then, a prediction model based on machine learning algorithms (including random forest, generalized linear regression, decision tree, support vector machine, and artificial neural network) is constructed to predict the risk of PMI occurrence. Ultimately, the analysis of receiver operating characteristic curve (ROC) and decision curve analysis (DCA) is used to evaluate the predictive ability of various prediction models. Results: We finally included radiomics-based candidate variables that can be used for PMI model. Multivariate logistic regression analysis showed that energy, correlation, sum entropy (SUE), entropy, mean sum (MES), variance of differences (DIV), and inverse difference (IND) were independent risk factors for PMI occurrence. The predictive performance AUC of five types of machine learning ranges from 0.747 to 0.895 in the training set and can also reach a high accuracy of 0.905 in the testing set, indicating that the predictive model has ideal robustness. Conclusion: Our ML-based model incorporating GLCM parameters can predict PMI in cervical cancer patients with stage IB1 to IIA2, particularly the RFM, which could contribute to distinguishing PMI before surgery, especially in assisting decision-making on surgical scope.

2.
Nat Commun ; 15(1): 6559, 2024 Aug 02.
Artículo en Inglés | MEDLINE | ID: mdl-39095340

RESUMEN

Macrocyclic conformations play a crucial role in regulating their properties. Our understanding of the determinants to control macrocyclic conformation interconversion is still in its infancy. Here we present a macrocycle, octamethyl cyclo[4](1,3-(4,6)-dimethylbenzene)[4]((4,6-benzene)(1,3-dicarboxylate) (OC-4), that can exist at 298 K as two stable atropisomers with C2v and C4v symmetry denoted as C2v-OC-4 and C4v-OC-4, respectively. Heating induces the efficient stepwise conversion of C2v- to C4v-OC-4 via a Cs-symmetric intermediate (Cs-OC-4). It differs from the typical transition state-mediated processes of simple C-C single bond rotations. Hydrolysis and further esterification with a countercation dependence promote the generation of C2v- and Cs-OC-4 from C4v-OC-4. In contrast to C2v-OC-4, C4v-OC-4 can bind linear guests to form pseudo-rotaxans, or bind C60 or C70 efficiently. The present study highlights the differences in recognition behavior that can result from conformational interconversion, as well as providing insights into the basic parameters that govern coupled molecular rotations.

3.
Pestic Biochem Physiol ; 203: 106024, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-39084783

RESUMEN

Indoxacarb is a chiral insecticide that consists of two enantiomers, S-(+)-indoxacarb and R-(-)-indoxacarb, of which only S-(+)-indoxacarb has insecticidal activity. Previous enantioselective toxicology studies of indoxacarb focused mostly on simple environmental model organisms. The lack of a toxicology evaluation of indoxacarb conducted in a mammalian system could mean that the extent of the potential health risk posed by the insecticide to humans is not adequately known. In this study, we reported on a new pair of enantiomers, S-IN-RM294 and R-IN-RM294, derived from the metabolic breakdown of S-(+)-indoxacarb and R-(-)-indoxacarb, respectively, in rats. The toxicokinetics of S-(+)-indoxacarb, R-(-)-indoxacarb, S-IN-RM294, and R-IN-RM294 in rats were evaluated to provide a more comprehensive risk assessment of these molecules. The bioavailability and excretion rates of both S-(+)-indoxacarb and R-(-)-indoxacarb were relatively low, which may be due to their faster metabolism and accumulation in the tissues. In addition, there were significant differences in the metabolism and distribution between the two indoxacarb enantiomers and their metabolites in vivo. S-(+)-Indoxacarb was found to be more easily metabolized in the blood compared with R-(-)-indoxacarb, as shown by the differences in pharmacokinetic parameters between oral and intravenous administration. Analysis of their tissue distribution showed that S-(+)-indoxacarb was less likely to accumulate in most tissues. The results obtained for the two metabolites were consistent with those of the two parent compounds. S-IN-RM294 was more readily cleared from the blood and less likely to accumulate in the tissues compared with R-IN-RM294. Therefore, whether from the perspective of insecticidal activity or from the perspective of mammalian and environmental friendliness, the application of optically pure S-(+)-indoxacarb in agriculture may be a more efficient and safer strategy.


Asunto(s)
Disponibilidad Biológica , Insecticidas , Oxazinas , Ratas Sprague-Dawley , Toxicocinética , Animales , Masculino , Oxazinas/farmacocinética , Oxazinas/toxicidad , Oxazinas/metabolismo , Estereoisomerismo , Insecticidas/toxicidad , Insecticidas/farmacocinética , Insecticidas/química , Ratas
4.
Ren Fail ; 46(1): 2349121, 2024 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-38916144

RESUMEN

BACKGROUND: In recent years, the research on symptom management in peritoneal dialysis (PD) patients has shifted from a single symptom to symptom clusters and network analysis. This study collected and evaluated unpleasant symptoms in PD patients and explored groups of symptoms that may affect PD patients with a view to higher symptom management. METHODS: The symptoms of PD patients were measured using the modified Dialysis Symptom Index. The symptom network and node characteristics were assessed by network analysis, and symptom clusters were explored by factor analysis. RESULTS: In this study of 602 PD patients (mean age 47.8 ± 16.8 years, 47.34% male), most had less than 2 years of dialysis experience. Five symptom clusters were obtained from factor analysis, which were body symptom cluster, gastrointestinal symptom cluster, mood symptom cluster, sexual disorder symptom cluster, and skin-sleep symptom cluster. Itching and decreased interest in sex may be sentinel symptoms, and being tired or lack of energy and feeling anxious are core symptoms in PD patients. CONCLUSIONS: This study emphasizes the importance of recognizing symptom clusters in PD patients for better symptom management. Five clusters were identified, with key symptoms including itching, decreased interest in sex, fatigue, and anxiety. Early intervention focused on these symptom clusters in PD patients holds promise for alleviating the burden of symptoms.


Asunto(s)
Fatiga , Diálisis Peritoneal , Humanos , Masculino , Femenino , Diálisis Peritoneal/efectos adversos , Persona de Mediana Edad , Adulto , China/epidemiología , Fatiga/etiología , Ansiedad/etiología , Fallo Renal Crónico/terapia , Fallo Renal Crónico/complicaciones , Prurito/etiología , Anciano , Evaluación de Síntomas , Análisis Factorial , Estudios Transversales , Pueblos del Este de Asia
5.
ACS Appl Mater Interfaces ; 16(23): 30218-30227, 2024 Jun 12.
Artículo en Inglés | MEDLINE | ID: mdl-38832556

RESUMEN

As a typical carbon-based material electrode, graphene fiber exhibits many advantages, such as good electrical conductivity, lightweight, and strong structural designability. Its demand is increasing in the wearable display field. With the help of fine denier fiber spinning combined with multistranded graphene fibers prepared via twisting and drafting, their petal-like twisted structure endows the fibers with a high specific surface area, enabling them to complete dye adsorption within 30 min. Simultaneously, compared with that of a single fiber with the same thickness, the volume specific resistance of a multistranded twisted graphene fiber is reduced by 2.4 times. During force sensing, the twisted structure of multistranded fibers exhibits varying simultaneity of fiber fracture with excellent resistance sensitivity reaching up to 55%. The multistranded twisted flexible graphene fibers demonstrate excellent robustness. Electroluminescent flexible devices prepared with graphene fibers and fiber braided fabrics with different organizational structures as electrodes emit highly saturated short-wave blue light during long-term multiple use. Therefore, multistranded twisted graphene fibers exhibit considerable potential for future applications in wearable multicolor smart displays and flexible optical signal electronics.

6.
Sci Total Environ ; 937: 173475, 2024 Aug 10.
Artículo en Inglés | MEDLINE | ID: mdl-38795985

RESUMEN

Diniconazole is a chiral pesticide that exists in two enantiomers, R-(-)-diniconazole and S-(+)-diniconazole, with the R-enantiomer being much more active than the S-enantiomer. Previous enantioselective toxicology studies of diniconazole focused mostly on simple environmental model organisms. In this study, we evaluated the toxicokinetics of the two diniconazole enantiomers in rats and mice to provide a more comprehensive risk assessment. The two enantiomers displayed clear differences in their stereoselective contents in vivo. The t1/2 of R-(-)-diniconazole was 7.06 ± 3.35 h, whereas that of S-(+)-diniconazole was 9.14 ± 4.60 h, indicating that R-(-)-diniconazole was eliminated faster in vivo. The excretion rates of R-(-)-diniconazole and S-(+)-diniconazole were 4.08 ± 0.50 % and 2.68 ± 0.58 %, respectively, indicating more excretion of R-(-)-diniconazole. S-(+)-diniconazole had a higher bioavailability than R-(-)-diniconazole (52.19 % vs. 42.44 %). S-(+)-Diniconazole was also found in relatively high abundance in tissues such as the stomach, large intestine, small intestine, cecum, liver, kidney, brain, and testes, with the abundance being 1.71-2.48-fold that of R-(-)-diniconazole. The selective degradation of both enantiomers in the tissues and their mutual conversion in vivo were not observed, and this could indicate that configuration conversion did not contribute to the differences in the content of enantiomers in the tissues. Instead, such differences were mainly caused by the differences in affinity of each enantiomer for the tissues. Furthermore, investigation of the interconversion between optically pure R-(-)-diniconazole and S-(+)-diniconazole monomers in soil revealed no interconversion. All of the above results indicated no interconversion between R-(-)-diniconazole and S-(+)-diniconazole in vivo and in the soil, and that S-(+)-diniconazole tends to have a greater potential to accumulate in vivo. Thus, if only R-(-)-diniconazole is used as a pesticide, the negative impact on mammals and the environment will be reduced, suggesting that in agriculture, the application of optically pure R-(-)-diniconazole may be a better strategy.


Asunto(s)
Toxicocinética , Triazoles , Animales , Triazoles/toxicidad , Triazoles/química , Ratones , Estereoisomerismo , Ratas , Masculino , Fungicidas Industriales/toxicidad , Fungicidas Industriales/química
7.
Quant Imaging Med Surg ; 14(1): 408-420, 2024 Jan 03.
Artículo en Inglés | MEDLINE | ID: mdl-38223085

RESUMEN

Background: The status of the axillary lymph node (ALN) in patients with breast cancer can critically inform clinical decision-making and prognosis. Preoperative evaluation of limited nodal burden (0-2 metastatic ALNs) and high nodal burden (≥3 metastatic ALNs) is vital for individual treatment in patients with breast cancer. Thus, this study aimed to evaluate the value of Angio-PLUS (AP; Aixplorer, SuperSonic Imagine) and the qualitative and quantitative shear-wave elastography (SWE) of breast lesions to predict limited or high axillary nodal burden and to develop a model for predicting limited or high axillary nodal burden. Methods: From March 2020 to November 2022, a total of 232 consecutive patients with breast cancer comprising 232 breast lesions were enrolled retrospectively from Yueyang Central Hospital. The sensitivity, specificity, negative predictive value (NPV), positive predictive value (PPV), accuracy, and area under the receiver operating characteristic curve (AUC) of AP, qualitative SWE, quantitative SWE, and the predictive model for evaluating limited or high axillary nodal burden were compared. Results: There was no significant difference in AP patterns between the limited nodal burden group and high nodal burden group. The best cutoff values of Emin (the minimal value of the first Q-box), Emean (the mean value of the first Q-box), Emax (the maximum value of the first Q-box), Eratio (ratio of the first Q-Box and the second Q-Box) and standard deviation for predicting limited or high nodal burden were 80.85 KPa, 133.45 KPa, 153.40 KPa, 9.95, and 19.25 KPa, respectively. The Emax had the highest AUC, and its sensitivity, specificity, PPV, NPV, accuracy, and AUC were 71.64%, 56.36%, 40.00%, 83.04%, 60.78%, and 0.640 [95% confidence interval (CI): 0.575-0.702], respectively. The sensitivity, specificity, PPV, NPV, accuracy, and AUC of seven color patterns for qualitative SWE were 71.64%, 74.55%, 53.33%, 86.62%, 73.71%, and 0.731 (95% CI: 0.669-0.787), respectively, which was significantly higher than all the other quantitative SWE parameters. ALN evaluation in ultrasound and qualitative SWE were independent risk factors for predicting limited or high nodal burden according to a binary logistics regression analysis. The AUC of the predictive model based on independent risk factors was 0.820 (95% CI: 0.765-0.867), which was significantly higher than that of the other independent risk factors. Conclusions: The seven color patterns in the qualitative SWE of breast lesions were valuable for predicting limited or high nodal burden for patients with breast cancer. Compared with quantitative SWE, qualitative SWE exhibited a better diagnostic performance. Breast lesions present no findings, vertical stripes, and spot patterns were important indicators for limited nodal burden. The predictive model developed in this study could be a simple, noninvasive, and convenient method for predicting limited or high nodal burden, which would be beneficial for clinical decision-making and individual treatment to improve prognosis.

8.
Nat Commun ; 14(1): 8166, 2023 Dec 09.
Artículo en Inglés | MEDLINE | ID: mdl-38071355

RESUMEN

Molecular folding regulation with environmental stimuli is critical in living and artificial molecular machine systems. Herein, we described a macrocycle, cyclo[4] (1,3-(4,6-dimethyl)benzene)[4](1,3-(4,6-dimethyl)benzene)(4-pyridine). Under 298 K, it has three stable stiff atropisomers with names as 1 (Cs symmetry), 2 (Cs symmetry), and 3 (C4v symmetry). At 393 K, 1 can reversibly transform into 2, but at 473 K, it can irrevocably transform into 3. At 338 K, 3 and (PhCN)2PdCl2 complex to produce the metal-organic cage 4. Only at 338 K does the combination of 1 or 2 and (PhCN)2PdCl2 create a gel-like structure. Heating both gels to 473 K transforms them into 4. In addition to offering a thermally accelerated method for modifying self-assembled systems using macrocyclic building blocks, this study also has the potential to develop the nanoscale transformation material with a thermal response.

9.
J Agric Food Chem ; 71(49): 19804-19816, 2023 Dec 13.
Artículo en Inglés | MEDLINE | ID: mdl-38038649

RESUMEN

Six new alkaloids (compounds 1-6) were isolated from Portulaca oleracea L. The compounds were triple pair (1 and 2, 3 and 4, and 5 and 6) enantiomers, with 1, 3, and 5 in the R-configuration and 2, 4, and 6 in the S-configuration, and all could bind to SUR1 according to molecular docking analysis. Treatment of STC-1 cells with each compound led to an influx of intracellular Ca2+, eventually leading to the secretion of glucagon-like peptide-1 (GLP-1), with compound 3 giving the highest secretion, resulting in 24.3 ± 7.03% more GLP-1 than nateglinide-treated cells, suggesting that these alkaloids may be able to reduce blood glucose based on their ability to stimulate the release of GLP-1. Furthermore, compound 3 also exhibited slightly faster absorption than nateglinide, as shown by pharmacokinetic analysis conducted in rats. Therefore, the results showed that some purslane alkaloids (such as compound 3) had good pharmacological activity in vivo and may have preventive and therapeutic effects on diabetes.


Asunto(s)
Alcaloides , Portulaca , Ratas , Animales , Portulaca/metabolismo , Nateglinida , Péptido 1 Similar al Glucagón/metabolismo , Simulación del Acoplamiento Molecular , Alcaloides/farmacología , Alcaloides/análisis
10.
J Ethnopharmacol ; 300: 115677, 2023 Jan 10.
Artículo en Inglés | MEDLINE | ID: mdl-36064148

RESUMEN

ETHNOPHARMACOLOGICAL RELEVANCE: Bioactive substance identification is always the focal point and the main challenge in Chinese herbal medicine (CHM). Most CHM present multiple efficacies and multiple tropisms, which has improved the application accuracy of CHM, and is worthy of further study. In this article, the concept of "multi-tropism efficacy of CHM" has been proposed for the first time. In addition, it is hypothesized that the different components in CHM can be classified based on their efficacy status. AIM OF THE STUDY: The spectrum-effect relationship between the fingerprint and efficacy was established to identify the efficacy status of components. This provided a practical, efficient and accurate way to identify the bioactive substances from a complex CHM system. MATERIALS AND METHODS: The network pharmacology approach was applied to preliminarily analyze the potential antibacterial compounds and mechanisms of HQ. Furthermore, its chemical fingerprint was established and the characteristic peaks were identified by LC-MS/MS. The antibacterial and anti-inflammatory bioactivities of HQ were determined to evaluate its pharmacological effect of heat-clearing and detoxification, and its anticoagulation activity was determined to evaluate its heat-clearing and tocolysis effects. The spectrum-effect relationships were assessed by gray correlation analysis to discriminate the status of active components in HQ with different efficacies. RESULTS: Network pharmacology analysis revealed apigenin, wogonin, baicalein, acacetin, ß-sitosterol, baicalin, eugenol, moslosooflavone, palmitic acid, oroxylin-A 7-O-glucuronide, and scutevulin as the potential active compounds responsible for the efficacy of HQ against both E. coli and S. aureus. The spectrum-effect relationship was utilized to reveal the orientation activities, with the results as follows: 1) The main basic-efficacy components in HQ with antibacterial, anti-inflammatory, and anticoagulant effects were P5, P8, P9, P15, P18, P19, P20; while the general basic-efficacy components were P2, P3, P6, P7, P11, P14, P21, P22, P28. 2) The main efficacy-oriented components in HQ with antibacterial effects on E. coli were P1, P12, P17, while the general efficacy-oriented compound was P10, P24, P25, P26, P27; the main efficacy-oriented in HQ with antibacterial effects on S. aureus were P14 and the general efficacy-oriented components were P1, P12, P26, P29, P30, respectively. 3) The main efficacy-oriented components with anti-inflammatory activity were P14, P24, P25, P27, and P30, while the general efficacy-oriented components were P13, P23, P26. 4) The main efficacy-oriented compounds in HQ with effects on anticoagulation were P6 and P22; these acted by prolonging APTT through the intrinsic coagulation pathway and PT through the extrinsic coagulation pathway, respectively. 5) The pharmacodynamic status classification of Scutellaria baicalensis ingredients were confirmed by nine reference compounds exemplarily. CONCLUSION: This work established a novel strategy for active compound efficacy status identification in multi-tropism Chinese herbal medicine (Scutellaria baicalensis Georgi) based on multi-indexes spectrum-effect gray correlation analysis, the method is scientific feasible and can be applied to the effective substances identification and quality control of other CHM.


Asunto(s)
Medicamentos Herbarios Chinos , Scutellaria baicalensis , Antibacterianos/farmacología , Antibacterianos/uso terapéutico , Anticoagulantes , Apigenina , Cromatografía Liquida , Medicamentos Herbarios Chinos/química , Medicamentos Herbarios Chinos/farmacología , Medicamentos Herbarios Chinos/uso terapéutico , Escherichia coli , Eugenol , Glucurónidos , Ácido Palmítico , Piridinolcarbamato , Scutellaria baicalensis/química , Staphylococcus aureus , Espectrometría de Masas en Tándem , Tropismo
11.
Front Endocrinol (Lausanne) ; 14: 1275256, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-38260152

RESUMEN

Objective: This study aims to evaluate the diagnostic performance of quantitative shear wave elastography (SWE) and a new qualitative color pattern SWE for the differentiation of benign and malignant American College of Radiology Thyroid Imaging, Reporting, and Data System (ACR TI-RADS) 4 or 5 category thyroid nodules measuring ≤10 mm. Materials and methods: From May 2020 to July 2022, a total of 237 patients with 270 thyroid nodules were enrolled, and conventional ultrasound and SWE examinations were performed for each patient. Each ACR TI-RADS 4 or 5 category thyroid nodule measuring ≤10 mm was evaluated by quantitative SWE and a new qualitative color pattern SWE. The diagnostic performance of quantitative SWE parameters, the new qualitative color pattern SWE, and the combination of SWE with ACR TI-RADS, respectively, for the differentiation of benign and malignant ACR TI-RADS 4 or 5 category thyroid nodules measuring ≤10 mm was evaluated and compared. Results: Among 270 thyroid nodules in 237 patients, 72 (26.67%) thyroid nodules were benign and 198 (73.33%) thyroid nodules were malignant. The qualitative color pattern SWE showed better diagnostic performance than the quantitative SWE parameters. When combining the qualitative color pattern SWE with ACR TI-RADS scores, with the optimal cutoff value of the total points ≥8, the thyroid nodules were considered malignant. The sensitivity, specificity, accuracy, and AUC were 89.90%, 56.94%, 81.11%, and 0.820 (95% CI: 0.768-0.864), respectively. Compared with using qualitative color pattern SWE alone, the combination of qualitative color pattern SWE and ACR TI-RADS had better diagnostic performance, which was significantly different (p < 0.05). Conclusion: The combination of qualitative SWE color patterns and ACR TI-RADS had high sensitivity and accuracy, which might be a convenient and useful method to differentiate benign and malignant ACR TI-RADS 4 or 5 category thyroid nodules measuring ≤10 mm. It would be helpful for the management of thyroid nodules and improving prognosis.


Asunto(s)
Diagnóstico por Imagen de Elasticidad , Nódulo Tiroideo , Humanos , Nódulo Tiroideo/diagnóstico por imagen
12.
Front Endocrinol (Lausanne) ; 13: 1063998, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36578956

RESUMEN

Objective: The aim of this study was to explore diagnostic performance based on clinical characteristics, conventional ultrasound, Angio PLUS (AP), shear wave elastography (SWE), and contrast-enhanced ultrasound (CEUS) for the preoperative evaluation of cervical lymph node metastasis (CLNM) in patients with papillary thyroid carcinoma (PTC) and to find a reliable predictive model for evaluating CLNM. Materials and methods: A total of 206 thyroid nodules in 206 patients were included. AP, SWE, and CEUS were performed for all thyroid nodules. Univariate analysis and multivariate logistic regression analysis were performed to ascertain the independent risk factors. The sensitivity, specificity, and the area under the curve (AUC) of independent risk factors and the diagnostic model were compared. Results: Sex, age, nodule size, multifocality, contact extent with adjacent thyroid capsule, Emax, and capsule integrity at CEUS were independent risk predictors for CLNM in patients with PTC. A predictive model was established based on the following multivariate logistic regression: Logit (p) = -2.382 + 1.452 × Sex - 1.064 × Age + 1.338 × Size + 1.663 × multifocality + 1.606 × contact extent with adjacent thyroid capsule + 1.717 × Emax + 1.409 × capsule integrity at CEUS. The AUC of the predictive model was 0.887 (95% CI: 0.841-0.933), which was significantly higher than using independent risk predictors alone. Conclusion: Our study found that male presence, age < 45 years, size ≥ 10 mm, multifocality, contact extent with adjacent thyroid capsule > 25%, Emax ≥ 48.4, and interrupted capsule at CEUS were independent risk predictors for CLNM in patients with PTC. We developed a diagnostic model for predicting CLNM, which could be a potentially useful and accurate method for clinicians; it might be beneficial to surgical decision-making and patient management and for improving prognosis.


Asunto(s)
Carcinoma Papilar , Neoplasias de la Tiroides , Nódulo Tiroideo , Humanos , Masculino , Lactante , Persona de Mediana Edad , Cáncer Papilar Tiroideo/patología , Nódulo Tiroideo/patología , Neoplasias de la Tiroides/patología , Metástasis Linfática , Carcinoma Papilar/patología
13.
J Agric Food Chem ; 70(38): 12180-12188, 2022 Sep 28.
Artículo en Inglés | MEDLINE | ID: mdl-36121774

RESUMEN

Oxathiapiprolin is a chiral fungicide, and it can affect the metabolism of the cholesterol compounds by inhibiting oxysterol binding protein (OSBP) to exert its fungicidal effect. The application of oxathiapiprolin in agriculture is widespread, and its residue in the environment is a threat to both human and animal health. The two oxathiapiprolin enantiomers differ in their fungicidal activity, biotoxicity, and degradation by environmental forces. However, their biotoxicity has not been reported in animals. The toxicokinetics of a pesticide should be a crucial component for the evaluation of its toxicity in vivo. In this study, we investigated the absorption, bioavailability, tissue distribution, and excretion of the two oxathiapiprolin enantiomers in rats to verify their toxicokinetic process in animals. An ultrahigh-performance liquid chromatography triple quadrupole tandem mass spectrometry (UHPLC-QQQ/MS) method was established to quantify the two oxathiapiprolin enantiomers in vivo. The two oxathiapiprolin enantiomers were found to have approximately the same absorption rate and bioavailability, and both were excreted mainly in the feces. The half-life of R-(-)-oxathiapiprolin was nearly twice that of S-(+)-oxathiapiprolin. R-(-)-oxathiapiprolin also had greater distribution than S-(+)-oxathiapiprolin in the liver, lungs, heart, spleen, kidneys, stomach, large intestine, small intestine, brain, and pancreas, supporting the notion that R-(-)-oxathiapiprolin could better bind with OSBP. The stereoselectivity of S-(+)-oxathiapiprolin in these tissues may be responsible for it being readily metabolized in vivo. The molecular docking technique was subsequently used to verify the more superior binding between R-(-)-oxathiapiprolin and OSBP compared with the binding between S-(+)-oxathiapiprolin and OSBP. The findings of this study could provide more reliable data for determining the toxicokinetics of a single enantiomer of oxathiapiprolin in animals, thereby providing some theoretical basis for its subsequent toxicological study.


Asunto(s)
Fungicidas Industriales , Plaguicidas , Animales , Cromatografía Líquida de Alta Presión/métodos , Fungicidas Industriales/química , Hidrocarburos Fluorados , Simulación del Acoplamiento Molecular , Plaguicidas/análisis , Pirazoles , Ratas , Receptores de Esteroides , Estereoisomerismo , Toxicocinética
14.
Front Oncol ; 12: 906501, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35686093

RESUMEN

Objective: To evaluate the value of the combined use of Breast Imaging Reporting and Data System (BI-RADS), qualitative shear wave elastography (SWE), and AngioPLUS microvascular Doppler ultrasound technique (AP) for distinguishing benign and malignant breast masses. Materials and Methods: A total of 210 pathologically confirmed breast lesions in 210 patients were reviewed using BI-RADS, qualitative SWE, and AP. The sensitivity, specificity, negative predictive value (NPV), positive predictive value (PPV), accuracy, and area under the receiver operating characteristic curve (AUC) of BI-RADS and the combination of qualitative SWE and/or AP with BI-RADS were compared, respectively. Results: Compared with using BI-RADS alone, the use of combined qualitative SWE and/or AP with BI-RADS had higher AUC values (P < 0.001). Besides this, the combination of qualitative SWE and AP with BI-RADS had the best diagnostic performance for differentiating between benign and malignant masses. When AP and SWE were combined with BI-RADS, 49/76 benign masses were downgraded from BI-RADS category 4a into BI-RADS category 3, while no benign masses were upgraded from BI-RADS category 3 into BI-RADS category 4a. Three sub-centimeter malignant masses were downgraded from BI-RADS category 4a into BI-RADS category 3, while three malignant masses remain in BI-RADS category 3 due to a benign manifestation in both AP and qualitative SWE. Moreover, 5/6 of them were sub-centimeter masses, and 4/6 of them were intraductal carcinoma. The sensitivity, specificity, PPV, NPV, accuracy, and AUC were 91.0%, 81.1%, 69.3%, 95.1%, 84.3%, and 0.861 (95% confidence interval, 0.806-0.916; P < 0.001), respectively. Compared with BI-RADS alone, the sensitivity slightly decreased, while the specificity, PPV, NPV, and accuracy were significantly improved. Conclusion: Combination of qualitative SWE and AP with BI-RADS improved the diagnostic performance in differentiating benign from malignant breast lesions, which is helpful for avoiding unnecessary biopsies. However, we should be careful about the downgrading of sub-centimeter BI-RADS 4a category lesions.

15.
Endosc Ultrasound ; 11(4): 252-274, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35532576

RESUMEN

Physicians have used palpation as a diagnostic examination to understand the elastic properties of pathology for a long time since they realized that tissue stiffness is closely related to its biological characteristics. US elastography provided new diagnostic information about elasticity comparing with the morphological feathers of traditional US, and thus expanded the scope of the application in clinic. US elastography is now widely used in the field of diagnosis and differential diagnosis of abnormality, evaluating the degree of fibrosis and assessment of treatment response for a range of diseases. The World Federation of Ultrasound Medicine and Biology divided elastographic techniques into strain elastography (SE), transient elastography and acoustic radiation force impulse (ARFI). The ARFI techniques can be further classified into point shear wave elastography (SWE), 2D SWE, and 3D SWE techniques. The SE measures the strain, while the shear wave-based techniques (including TE and ARFI techniques) measure the speed of shear waves in tissues. In this review, we discuss the various techniques separately based on their basic principles, clinical applications in various organs, and advantages and limitations and which might be most appropriate given that the majority of doctors have access to only one kind of machine.

16.
Nanotechnology ; 33(34)2022 Jun 01.
Artículo en Inglés | MEDLINE | ID: mdl-35576909

RESUMEN

To improve the shortcomings of narrow therapeutic range and low bioavailability of traditional preparations, a composite drug carrier that combines the advantages of biological carriers and synthetic carriers was prepared in this project. The biomimetic nano-delivery system outer membrane vesicles-polydopamine-mesoporous silica nanoparticle (OMVs-PDA-MSN-DOX) for oral administration is composed of OMVs ofEscherichia colias shell and doxorubicin-loaded MSN modified by PDA as core. Several characterization techniques thoroughly examined the nano-drug delivery system to confirm its surface morphology and chemical property. OMVs-PDA-MSN-DOX with a particle size of 150 nm showed significant cell selectivity and safety. We demonstrated that OMVs are capable of protecting pH-sensitive nanostructure from the oral route of administration in the short term. Importantly, OMVs-PDA-MSN-DOX could facilitate intestinal adhesion and improve DOX bioavailability. Overall, the OMVs-cloaked nanocarrier provides an efficient delivery platform for the oral targeting treatment of cancer with pH-sensitive nano-formulations.


Asunto(s)
Nanopartículas , Neoplasias , Doxorrubicina/farmacología , Doxorrubicina/uso terapéutico , Portadores de Fármacos/química , Sistemas de Liberación de Medicamentos , Concentración de Iones de Hidrógeno , Indoles , Nanopartículas/química , Neoplasias/tratamiento farmacológico , Polímeros , Porosidad , Dióxido de Silicio/química
17.
Food Funct ; 13(6): 3308-3317, 2022 Mar 21.
Artículo en Inglés | MEDLINE | ID: mdl-35254360

RESUMEN

In Asia, the flower of Hosta plantaginea (Lam.) Aschers (hosta flower) is both an edible food and medicine. The hosta flower is often used as a material for cooking porridge and scented tea and in combination with other plants for alleviating pharyngitis. To clarify the anti-pharyngitis effect of the hosta flower and evaluate its potential active ingredients, an ethanol extract of the hosta flower was prepared and partially purified via chromatography on a column packed with D101 macroporous resin, which was eluted with different concentrations of ethanol. The anti-pharyngitis effect of the crude extract and the various partially purified fractions was examined in an ammonia-induced acute pharyngitis rat model. The 30% ethanol-eluted fraction significantly alleviated the severity of pharyngitis in the rat, as evaluated by changes in the levels of cytokines (IL-1ß, IL-6, and TNF-α) and histological changes in the pharynx tissues. Subsequent HPLC-QTOF/MS (high-performance liquid chromatography coupled with quadrupole-time of flight tandem mass spectrometry) analysis of this fraction revealed kaempferol and its glycosides as the main components. Three of the main components were isolated and identified by 1D NMR. Their pharmacokinetics were studied for the first time by UHPLC-QQQ/MS (ultrahigh-performance liquid chromatography coupled with mass spectrometry). The findings suggested that the 30% ethanol-eluted fraction of the hosta flower extract may be a potential functional food for treating pharyngitis.


Asunto(s)
Flavonoides/uso terapéutico , Glicósidos/uso terapéutico , Hosta/química , Faringitis/tratamiento farmacológico , Extractos Vegetales/uso terapéutico , Animales , Flavonoides/química , Flavonoides/aislamiento & purificación , Flavonoides/farmacocinética , Flores/química , Glicósidos/química , Glicósidos/aislamiento & purificación , Glicósidos/farmacocinética , Masculino , Faringitis/patología , Fitoterapia , Extractos Vegetales/química , Ratas , Ratas Sprague-Dawley
18.
World J Clin Oncol ; 13(12): 967-979, 2022 Dec 24.
Artículo en Inglés | MEDLINE | ID: mdl-36618079

RESUMEN

BACKGROUND: Urinary tract infection (UTI) is a common type of postoperative infection following cytoreductive surgery for ovarian cancer, which severely impacts the prognosis and quality of life of patients. AIM: To develop a machine learning assistant model for the prevention and control of nosocomial infection. METHODS: A total of 674 elderly patients with ovarian cancer who were treated at the Department of Gynaecology at Jingzhou Central Hospital between January 31, 2016 and January 31, 2022 and met the inclusion criteria of the study were selected as the research subjects. A retrospective analysis of the postoperative UTI and related factors was performed by reviewing the medical records. Five machine learning-assisted models were developed using two-step estimation methods from the candidate predictive variables. The robustness and clinical applicability of each model were assessed using the receiver operating characteristic curve, decision curve analysis and clinical impact curve. RESULTS: A total of 12 candidate variables were eventually included in the UTI prediction model. Models constructed using the random forest classifier, support vector machine, extreme gradient boosting, and artificial neural network and decision tree had areas under the receiver operating characteristic curve ranging from 0.776 to 0.925. The random forest classifier model, which incorporated factors such as age, body mass index, catheter, catheter intubation times, blood loss, diabetes and hypoproteinaemia, had the highest predictive accuracy. CONCLUSION: These findings demonstrate that the machine learning-based prediction model developed using the random forest classifier can be used to identify elderly patients with ovarian cancer who may have postoperative UTI. This can help with treatment decisions and enhance clinical outcomes.

19.
Front Oncol ; 12: 1022305, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36713579

RESUMEN

Objective: This study aims to evaluate the value of contrast-enhanced ultrasound (CEUS), shear wave elastography (SWE), and their combined use in the differentiation of American College of Radiology (ACR) thyroid imaging reporting and data system (TI-RADS) 4 and 5 category thyroid nodules coexisting with Hashimoto's thyroiditis (HT). Materials and methods: A total of 133 pathologically confirmed ACR TI-RADS 4 and 5 category nodules coexisting with HT in 113 patients were included; CEUS and SWE were performed for all nodules. The sensitivity, specificity, negative predictive value (NPV), positive predictive value (PPV), accuracy, and the area under the receiver operating characteristic curve (AUC) of the SWE, CEUS, and the combined use of both for the differentiation of benign and malignant nodules were compared, respectively. Results: Using CEUS alone, the sensitivity, specificity, PPV, NPV, and accuracy were 89.2%, 66.0%, 81.3%, 78.6%, and 80.5%, respectively. Using SWE alone, Emax was superior to Emin, Emean, and Eratio for the differentiation of benign and malignant nodules with the best cutoff Emax >46.8 kPa, which had sensitivity of 65.1%, specificity of 90.0%, PPV of 91.5%, NPV of 60.8%, and accuracy of 74.4%, respectively. Compared with the diagnostic performance of qualitative CEUS or/and quantitative SWE, the combination of CEUS and SWE had the best sensitivity, accuracy, and AUC; the sensitivity, specificity, PPV, NPV, accuracy, and AUC were 94.0%, 66.0%, 82.1%, 86.8%, 83.5%, and 0.80 (95% confidence interval: 0.713, 0.886), respectively. Conclusion: In conclusion, CEUS and SWE were useful for the differentiation of benign and malignant ACR TI-RADS 4 and 5 category thyroid nodules coexisting with HT. The combination of CEUS and SWE could improve the sensitivity and accuracy compared with using CEUS or SWE alone. It could be a non-invasive, reliable, and useful method to differentiate benign from malignant ACR TI-RADS 4 and 5 category thyroid nodules coexisting with HT.

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