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1.
Opt Express ; 32(5): 7342-7355, 2024 Feb 26.
Artículo en Inglés | MEDLINE | ID: mdl-38439417

RESUMEN

Coherent superposition has been proposed to synthesize high-order quadrature amplitude modulation (QAM) by coherently superposing low-order QAMs in the optical domain. These approaches could effectively relax the digital-to-analog converter resolution and reduce the complexity of the driving electronics. However, in the superposition process, imperfect phase rotations (IPRs) in low-order QAMs will be transferred to the resultant high-order QAM. Importantly, the induced IPR cannot be compensated for by conventional linear equalizers and carrier recovery methods. To combat the induced IPR, herein, we propose a hierarchical blind phase search (HBPS) algorithm to compensate for the IPRs in synthesized high-order QAMs. The proposed HBPS can match the generation mechanism of the IPRs in coherent superposition, by tracing back and estimating the IPR in the QPSK-like constellation of each hierarchy and finally correcting the induced IPRs. Simulation and experimental results verify that this algorithm could effectively compensate for the IPR in the resultant 16-QAMs synthesized using coherent superposition approaches. The proposed HBPS shows significant optical signal-to-noise ratio (OSNR) gains compared to the conventional blind phase search (BPS) method for high-order QAMs coherently superposed using optical signal processing (OSP) and tandem modulators (TMs). Specifically, at the BER of 2.4e-2, the HBPS achieves a 1.5-dB OSNR sensitivity enhancement over the BPS in either OSP or TMs-based schemes, even with an imperfection rotation of up to 20∘.

2.
Nano Lett ; 23(17): 8331-8338, 2023 Sep 13.
Artículo en Inglés | MEDLINE | ID: mdl-37647133

RESUMEN

The great interest in large-scale electrochemical water splitting toward clean hydrogen has spurred large numbers of studies on developing cost-efficient and high-performance bifunctional electrocatalysts. Here, a Prussian-blue-analogue-derived method is proposed to prepare honeycomb-like ultrathin and heterogeneous Co2P-Fe2P nanosheets on nickel foam, showing low overpotentials of 0.080, 0.088, and 0.109 V for the hydrogen evolution reaction (HER) at 10 mA cm-2 as well as 0.290, 0.370, and 0.730 V for the oxygen evolution reaction (OER) at 50 mA cm-2 in alkaline, acidic, and neutral electrolytes, respectively. When directly applied for universal-pH water electrolysis, excellent performances are achieved especially at ultralow voltages of 1.45 V at 10 mA cm-2, 1.66 V at 100 mA cm-2, and 1.79 V at 500 mA cm-2 under alkaline conditions. In situ Raman spectroscopy measurements demonstrate that the excellent HER performance can be attributed to heterogeneous Co2P-Fe2P while the ultrahigh alkaline OER performance originates from reconstruction-induced oxyhydroxides.

3.
Can Assoc Radiol J ; 75(4): 868-877, 2024 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-38577746

RESUMEN

PURPOSE: To assess the diagnostic utility of clinical magnetic resonance spectroscopy (MRS) and diffusion-weighted imaging (DWI) in distinguishing between histological grading and isocitrate dehydrogenase (IDH) classification in adult diffuse gliomas. METHODS: A retrospective analysis was conducted on 247 patients diagnosed with adult diffuse glioma. Experienced radiologists evaluated DWI and MRS images. The Kruskal-Wallis test examined differences in DWI and MRS-related parameters across histological grades, while the Mann-Whitney U test assessed molecular classification. Receiver Operating Characteristic (ROC) curves evaluated parameter effectiveness. Survival curves, stratified by histological grade and IDH classification, were constructed using the Kaplan-Meier test. RESULTS: The cohort comprised 141 males and 106 females, with ages ranging from 19 to 85 years. The Kruskal-Wallis test revealed significant differences in ADC mean, Cho/NAA, and Cho/Cr concerning glioma histological grade (P < .01). Subsequent application of Dunn's test showed significant differences in ADC mean among each histological grade (P < .01). Notably, Cho/NAA exhibited a marked distinction between grade 2 and grade 3/4 gliomas (P < .01). The Mann-Whitney U test indicated that only ADC mean showed statistical significance for IDH molecular classification (P < .01). ROC curves were constructed to demonstrate the effectiveness of the specified parameters. Survival curves were also delineated to portray survival outcomes categorized by histological grade and IDH classification. Conclusions: Clinical MRS demonstrates efficacy in glioma histological grading but faces challenges in IDH classification. Clinical DWI's ADC mean parameter shows significant distinctions in both histological grade and IDH classification.


Asunto(s)
Neoplasias Encefálicas , Imagen de Difusión por Resonancia Magnética , Glioma , Isocitrato Deshidrogenasa , Espectroscopía de Resonancia Magnética , Clasificación del Tumor , Humanos , Masculino , Femenino , Persona de Mediana Edad , Glioma/diagnóstico por imagen , Glioma/patología , Glioma/clasificación , Adulto , Anciano , Imagen de Difusión por Resonancia Magnética/métodos , Neoplasias Encefálicas/diagnóstico por imagen , Neoplasias Encefálicas/patología , Estudios Retrospectivos , Anciano de 80 o más Años , Espectroscopía de Resonancia Magnética/métodos , Adulto Joven
4.
Appl Intell (Dordr) ; 53(9): 10053-10067, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-35991679

RESUMEN

Most existing action quality assessment (AQA) methods provide only an overall quality score for the input video and lack an evaluation of each substage of the movement process; thus, these methods cannot provide detailed feedback for users. Moreover, the existing datasets do not provide labels for substage quality assessment. To address these problems, in this work, a new label-reconstruction-based pseudo-subscore learning (PSL) method is proposed for AQA in sporting events. In the proposed method, the overall score of an action is not only regarded as a quality label but also used as a feature of the training set. A label-reconstruction-based learning algorithm is built to generate pseudo-subscore labels for the training set. Moreover, based on the pseudo-subscore labels and overall score labels, a multi-substage AQA model is fine-tuned from the PSL model to predict the action quality score of each substage and the overall score for an athlete. Several ablation experiments are performed to verify the effectiveness of each module. The experimental results show that our approach achieves state-of-the-art performance.

5.
Zhongguo Dang Dai Er Ke Za Zhi ; 25(2): 147-152, 2023 Feb 15.
Artículo en Zh | MEDLINE | ID: mdl-36854690

RESUMEN

OBJECTIVES: To investigate the clinical characteristics and risk factors for early-onset necrotizing enterocolitis (NEC) in preterm infants with very/extremely low birth weight (VLBW/ELBW). METHODS: A retrospective analysis was performed on the medical data of 194 VLBW/ELBW preterm infants with NEC who were admitted to Children's Hospital Affiliated to Zhengzhou University from January 2014 to December 2021. These infants were divided into early-onset group (onset in the first two weeks of life; n=62) and late-onset group (onset two weeks after birth; n=132) based on their onset time. The two groups were compared in terms of perinatal conditions, clinical characteristics, laboratory examination results, and clinical outcomes. Sixty-two non-NEC infants with similar gestational age and birth weight who were hospitalized at the same period as these NEC preterm infants were selected as the control group. The risk factors for the development of early-onset NEC were identified using multivariate logistic regression analysis. RESULTS: Compared with the late-onset group, the early-onset group had significantly higher proportions of infants with 1-minute Apgar score ≤3, stage III NEC, surgical intervention, grade ≥3 intraventricular hemorrhage, apnea, and fever or hypothermia (P<0.05). The multivariate logistic regression analysis showed that feeding intolerance, blood culture-positive early-onset sepsis, severe anemia, and hemodynamically significant patent ductus arteriosus were independent risk factors for the development of early-onset NEC in VLBW/ELBW preterm infants (P<0.05). CONCLUSIONS: VLBW/ELBW preterm infants with early-onset NEC have more severe conditions compared with those with late-onset NEC. Neonates with feeding intolerance, blood culture-positive early-onset sepsis, severe anemia, or hemodynamically significant patent ductus arteriosus have a higher risk of early-onset NEC.


Asunto(s)
Conducto Arterioso Permeable , Enterocolitis Necrotizante , Enfermedades del Recién Nacido , Enfermedades del Prematuro , Niño , Lactante , Femenino , Embarazo , Recién Nacido , Humanos , Recien Nacido Prematuro , Recien Nacido con Peso al Nacer Extremadamente Bajo , Enterocolitis Necrotizante/etiología , Estudios Retrospectivos , Enfermedades del Prematuro/etiología , Factores de Riesgo
6.
Neurol Sci ; 42(12): 5425-5431, 2021 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-33904005

RESUMEN

BACKGROUND: Hemiplegic migraine (HM) is a rare type of migraine with aura. Some reports have described the clinical manifestations in HM patients with the ATP1A2 mutation. But the impact of the ATP1A2 mutation on cognitive profile in HM patients has not been evaluated in detail. Here we report a patient with cognitive dysfunction in specific area. CASE PRESENTATION: A 15-year-old boy with an aura that included disturbances in consciousness, associated with fever, vomiting, hemiplegia, and aphasia. He was diagnosed with HM with the ATP1A2 mutation before. He had trouble in mathematics and depicting three-dimensional things. CONCLUSIONS: The HM with ATP1A2 patient could develop permanent cognitive dysfunction. Therefore, the cognitive quotient should be carefully and comprehensively evaluated.


Asunto(s)
Disfunción Cognitiva , Trastornos Migrañosos , Migraña con Aura , Adolescente , Disfunción Cognitiva/genética , Hemiplejía/complicaciones , Hemiplejía/genética , Humanos , Masculino , Trastornos Migrañosos/complicaciones , Trastornos Migrañosos/genética , Migraña con Aura/complicaciones , Migraña con Aura/genética , Mutación
7.
Luminescence ; 35(2): 250-259, 2020 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-31749285

RESUMEN

Four core-shell structured nanometre luminescent composites with different kernel sizes and different shell layer thicknesses (SiO2(500) @Eu (phen-Si)(50) , SiO2(500) @Eu (phen-Si)(15) , SiO2(250) @Eu (phen-Si)(5) and SiO2(250) @Eu (phen-Si)(10) ) were made by changing synthesis conditions. Here, initial subscript numbers in parentheses refer to the particle size of the SiO2 core, whereas the final subscript numbers in parentheses refer to shell layer thickness. In these composites, silica spheres of 500 nm or 250 nm were identified as the core. The shell layer was composited of silicon, 1,10-phenanthroline and europium perchlorate, abbreviated as Eu(phen-Si); the chemical formula of phen-Si was phen-N-(CONH (CH2 )Si(OCH2 CH3 )3 )2 . The composites were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and infrared spectroscopy. The monodispersed spherical SiO2 showed characteristics of a regular microstructure and a smooth surface, as well as the advantage of dispersity, shown by SEM. The Eu(phen-Si) complex was able to self-assemble into monodispersed SiO2 spheres, as seen using TEM. Fluorescence spectra indicated that the four composites had excellent luminescence properties. Furthermore, composites composed of a SiO2 core and a 250 nm kernel size exhibited stronger fluorescence than 500 nm kernel-sized composites. Fluorescence properties were affected by shell thickness: the thicker the shell, the greater the fluorescence intensity. For the four composites, quantum yield values and fluorescence lifetime corresponded to fluorescence emission intensity data as quantum yield values and fluorescence lifetime were higher, and luminescence properties increased.


Asunto(s)
Complejos de Coordinación/química , Europio/química , Sustancias Luminiscentes/química , Nanosferas/química , Compuestos de Organosilicio/química , Dióxido de Silicio/química , Complejos de Coordinación/síntesis química , Sustancias Luminiscentes/síntesis química , Estructura Molecular , Tamaño de la Partícula , Propiedades de Superficie
8.
Kidney Blood Press Res ; 44(4): 565-582, 2019.
Artículo en Inglés | MEDLINE | ID: mdl-31340209

RESUMEN

BACKGROUND: Septic shock, the most serious complication of sepsis, is a life-threatening disease that is mainly characterized by hypoperfusion and multiple organ failure. Various aberrantly expressed microRNAs (miRNAs) have been reported to be related to septic shock. We explored the regulatory effect of microRNA-203 (miR-203) on lung injury in septic shock mice. METHODS: Microarray-based gene expression profiling related to septic shock identified the differentially expressed gene vanin-1 (VNN1) and potential regulatory miR-203. miR-203 was predicted to mediate VNN1 expression, thus affecting septic shock, which was investigated by treatment with miR-203 mimic, miR-203 inhibitor, and siRNA-VNN1 in septic shock mouse models. Polymorphonuclear neutrophils (PMNs) and pulmonary alveolar macrophages in bronchoalveolar lavage fluid (BALF) as well as the wet/dry ratio of the lung were also measured to assess lung injury. Additionally, the effects of miR-203 on inflammatory cytokines, oxidative stress indexes, blood biochemical indexes, serine-threonine protein kinase (AKT) signaling pathway-related factors, and apoptosis-related factors were determined. RESULTS: VNN1 was verified to be targeted and negatively regulated by miR-203. In mouse models of septic shock, weak expression of miR-203, high expression of VNN1, and inhibition of AKT signaling pathway were identified. In response to miR-203 mimic and VNN1 gene silencing, mouse models of septic shock displayed reduced apoptosis, MDA, ALT, and AST in lung tissues, decreased levels of TNF-α, IL-1ß, IFN-γ, IL-10, and IL-6, in serum, and reduced PMN and PAM levels in BALF, in addition to elevated SOD activity. Notably, the presence of miR-203 mimic led to AKT signaling pathway activation. CONCLUSION: This study shows that upregulating miR-203 can alleviate lung injury through activation of the AKT signaling pathway by downregulating VNN1 in septic shock.


Asunto(s)
Amidohidrolasas/antagonistas & inhibidores , Lesión Pulmonar/prevención & control , MicroARNs/fisiología , Choque Séptico/complicaciones , Amidohidrolasas/genética , Animales , Apoptosis , Citocinas/metabolismo , Proteínas Ligadas a GPI/antagonistas & inhibidores , Proteínas Ligadas a GPI/genética , Perfilación de la Expresión Génica , Ratones , Estrés Oxidativo , Proteínas Proto-Oncogénicas c-akt/metabolismo , Choque Séptico/terapia , Transducción de Señal
9.
Sensors (Basel) ; 19(19)2019 Sep 24.
Artículo en Inglés | MEDLINE | ID: mdl-31554229

RESUMEN

The fields of human activity analysis have recently begun to diversify. Many researchers have taken much interest in developing action recognition or action prediction methods. The research on human action evaluation differs by aiming to design computation models and evaluation approaches for automatically assessing the quality of human actions. This line of study has become popular because of its explosively emerging real-world applications, such as physical rehabilitation, assistive living for elderly people, skill training on self-learning platforms, and sports activity scoring. This paper presents a comprehensive survey of approaches and techniques in action evaluation research, including motion detection and preprocessing using skeleton data, handcrafted feature representation methods, and deep learning-based feature representation methods. The benchmark datasets from this research field and some evaluation criteria employed to validate the algorithms' performance are introduced. Finally, the authors present several promising future directions for further studies.


Asunto(s)
Aprendizaje Profundo , Algoritmos , Humanos , Aprendizaje Automático
10.
Sensors (Basel) ; 19(5)2019 Feb 27.
Artículo en Inglés | MEDLINE | ID: mdl-30818796

RESUMEN

Although widely used in many applications, accurate and efficient human action recognition remains a challenging area of research in the field of computer vision. Most recent surveys have focused on narrow problems such as human action recognition methods using depth data, 3D-skeleton data, still image data, spatiotemporal interest point-based methods, and human walking motion recognition. However, there has been no systematic survey of human action recognition. To this end, we present a thorough review of human action recognition methods and provide a comprehensive overview of recent approaches in human action recognition research, including progress in hand-designed action features in RGB and depth data, current deep learning-based action feature representation methods, advances in human⁻object interaction recognition methods, and the current prominent research topic of action detection methods. Finally, we present several analysis recommendations for researchers. This survey paper provides an essential reference for those interested in further research on human action recognition.


Asunto(s)
Reconocimiento de Normas Patrones Automatizadas/métodos , Visión Ocular/fisiología , Percepción Visual/fisiología , Algoritmos , Actividades Humanas , Humanos , Movimiento (Física) , Esqueleto/fisiología , Encuestas y Cuestionarios
11.
J Basic Microbiol ; 59(6): 645-657, 2019 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-30900744

RESUMEN

This study aims to investigate the molecular phylogenetic analysis, morphological variability, nematode-capturing ability, and other biological properties of Chinese Duddingtonia flagrans isolates. We isolated 13 isolates of D. flagrans and found features that have never been reported before, such as two to three septa incluing club-shaped conidia. Meanwhile, we conducted molecular phylogenetic analysis of the seven isolates and tested the radical growth of the isolates under different pH values, temperatures, and media. The capturing ability against infective larvae (L3) of Cooperia spp. in yak was detected in vitro. Finally, one isolate was selected for scanning electron microscopy (SEM) to investigate the trap formation process. The fungal sequence was obtained and submitted to GenBank (Accession no. KY288614.1, KU881774.1, KP257593.1, KY419119.1, MF488979.1, MF488980.1, and MF488981.1), and the tested isolates were identified as D. flagrans. Except for three isolates, the radial growth of the other isolates on 2% corn meal agar and 2% water agar exhibited faster growth than on other media. The fungus could not grow at 10 and 40°C but grew within 11 to 30°C. Moreover, it did not grow at pH 1-3 and 13-14, but instead at pH 4-12. In the in vitro experimental, L3s were reduced by 94.36%, 88.15%, and 91.04% for SDH035, DH055, and F088, respectively. SEM results showed that at 8 hr post addition of nematodes, some of the latter were captured. In the later stages of the interaction of the fungus with nematodes, a large number of chlamydospores were produced, especially on the predation trap. Results of the present study provided information about the molecular phylogenetic analysis, morphological variability, nematode-capturing ability, and other biological properties of Chinese Arthrobotrys flagrans isolates before administering them for biocontrol.


Asunto(s)
Duddingtonia/clasificación , Duddingtonia/fisiología , Interacciones Huésped-Patógeno , Filogenia , Trichostrongyloidea/microbiología , Animales , Bovinos , ADN de Hongos/genética , ADN Ribosómico/genética , Duddingtonia/ultraestructura , Heces/parasitología , Concentración de Iones de Hidrógeno , Larva/microbiología , Microscopía Electrónica de Rastreo , Control Biológico de Vectores , Análisis de Secuencia de ADN , Esporas Fúngicas/clasificación , Esporas Fúngicas/fisiología , Esporas Fúngicas/ultraestructura , Temperatura
12.
Bioinformatics ; 33(14): i243-i251, 2017 Jul 15.
Artículo en Inglés | MEDLINE | ID: mdl-28881989

RESUMEN

MOTIVATION: The discovery of transcription factor binding site (TFBS) motifs is essential for untangling the complex mechanism of genetic variation under different developmental and environmental conditions. Among the huge amount of computational approaches for de novo identification of TFBS motifs, discriminative motif learning (DML) methods have been proven to be promising for harnessing the discovery power of accumulated huge amount of high-throughput binding data. However, they have to sacrifice accuracy for speed and could fail to fully utilize the information of the input sequences. RESULTS: We propose a novel algorithm called CDAUC for optimizing DML-learned motifs based on the area under the receiver-operating characteristic curve (AUC) criterion, which has been widely used in the literature to evaluate the significance of extracted motifs. We show that when the considered AUC loss function is optimized in a coordinate-wise manner, the cost function of each resultant sub-problem is a piece-wise constant function, whose optimal value can be found exactly and efficiently. Further, a key step of each iteration of CDAUC can be efficiently solved as a computational geometry problem. Experimental results on real world high-throughput datasets illustrate that CDAUC outperforms competing methods for refining DML motifs, while being one order of magnitude faster. Meanwhile, preliminary results also show that CDAUC may also be useful for improving the interpretability of convolutional kernels generated by the emerging deep learning approaches for predicting TF sequences specificities. AVAILABILITY AND IMPLEMENTATION: CDAUC is available at: https://drive.google.com/drive/folders/0BxOW5MtIZbJjNFpCeHlBVWJHeW8 . CONTACT: dshuang@tongji.edu.cn. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Asunto(s)
Algoritmos , Biología Computacional/métodos , Motivos de Nucleótidos , Regiones Promotoras Genéticas , Factores de Transcripción/metabolismo , Área Bajo la Curva , Sitios de Unión , Humanos , Células K562 , Unión Proteica , Curva ROC
13.
Phys Chem Chem Phys ; 20(32): 21113-21118, 2018 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-30079424

RESUMEN

Breaking the symmetry in the out-of-plane direction in two-dimensional materials to trigger distinctive electronic properties has long been predicted. Inspired by the recent progress in the experimental synthesis of a sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit [Zhang et al., ACS Nano, 2017, 11, 8192-8198], we investigate the transport and electronic structure of two-faced XMoY monolayers (X, Y = O, S, Se and Te) through first-principles calculations. It is found that all the monolayers are semiconductors except OMoTe, which is metallic. Interestingly, the "parents" of OMoTe (MoO2 and MoTe2) are both semiconductors. Further analysis shows that it is the out-of-plane asymmetry-induced strain that results in the metal-semiconductor transition between Janus OMoTe and its parents. By increasing the ratio of O atoms in one face of MoTe2, a progressive decreasing trend of the bandgap, as well as the transition to metallic, is found. In addition, a transition from the direct band gap semiconductor to the indirect one is also observed in the process. This could be used as an effective way to precisely control electronic structures, e.g., the bandgap. Different from other methods, this method uses the intrinsic features of the material, which can persist without the need of additional equipment. Moreover, such a modulating method is expected to be extended to many other transition-metal chalcogenides, showing great application potential.

14.
Biomed Environ Sci ; 31(11): 805-815, 2018 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-30558701

RESUMEN

OBJECTIVE: To evaluate the possible association between radon exposure and kidney cancer. METHODS: We performed a systematic review and a meta-analysis based on random effect models to provide a pooled association measure. RESULTS: We subjected 8 studies (overall relative risks and 95% confidence intervals: 1.01, 0.72 to 1.43, I2 = 64.4%) to meta-analysis. Subgroup analysis revealed a marginally significant association between radon exposure and kidney cancer in studies conducted in Europe. Two population-based studies provided no evidence for the increased risk of kidney cancer in the general population. CONCLUSION: The association between radon and kidney cancer remains unclear but cannot be excluded because of its biological plausibility and the limited number and quality of existing studies. Additional data from the general population and well-designed miner cohort studies are needed to reveal the real relationship between radon exposure and kidney cancer.


Asunto(s)
Neoplasias Renales/etiología , Radón/toxicidad , Estudios de Cohortes , Exposición a Riesgos Ambientales/efectos adversos , Humanos
15.
Phys Chem Chem Phys ; 18(17): 12149-62, 2016 04 28.
Artículo en Inglés | MEDLINE | ID: mdl-27075557

RESUMEN

In this study, we examined the influence of an embedded five-membered ring on the thermal decomposition of graphene oxyradicals. Their decomposition potential energy surfaces were explored at the B3LYP/6-311g(d,p) level. The temperature and pressure dependence of the rate coefficients was computed by master equation modeling. The results suggest that the embedded five-membered ring leads to a generally slower decomposition rate for CO elimination than that of graphene oxyradicals with only six-membered rings, but the impact of the embedded five-membered ring diminishes when it is two layers away from the edge. Well-behaved first-order kinetics was demonstrated at 1500 K, but collisional relaxation was incomplete on the dissociation timescale at higher temperatures. The ways of determining the effective rate coefficient were discussed and the influence of the uncertainty in rate constants on the predictions of species profiles was also estimated by performing kinetic modeling.

16.
Phys Chem Chem Phys ; 18(34): 23822-30, 2016 Sep 14.
Artículo en Inglés | MEDLINE | ID: mdl-27522953

RESUMEN

In the search for an accurate yet inexpensive method to predict thermodynamic properties of large hydrocarbon molecules, we have developed an automatic and adaptive distance-based group contribution (DBGC) method. The method characterizes the group interaction within a molecule with an exponential decay function of the group-to-group distance, defined as the number of bonds between the groups. A database containing the molecular bonding information and the standard enthalpy of formation (Hf,298K) for alkanes, alkenes, and their radicals at the M06-2X/def2-TZVP//B3LYP/6-31G(d) level of theory was constructed. Multiple linear regression (MLR) and artificial neural network (ANN) fitting were used to obtain the contributions from individual groups and group interactions for further predictions. Compared with the conventional group additivity (GA) method, the DBGC method predicts Hf,298K for alkanes more accurately using the same training sets. Particularly for some highly branched large hydrocarbons, the discrepancy with the literature data is smaller for the DBGC method than the conventional GA method. When extended to other molecular classes, including alkenes and radicals, the overall accuracy level of this new method is still satisfactory.

17.
J Phys Chem A ; 120(5): 683-9, 2016 Feb 11.
Artículo en Inglés | MEDLINE | ID: mdl-26799641

RESUMEN

Using density functional theory and master equation modeling, we have studied the kinetics of small unsaturated aliphatic molecules reacting with polycyclic aromatic hydrocarbon (PAH) molecules having a diradical character. We have found that these reactions follow the mechanism of carbon addition and hydrogen migration (CAHM) on both spin-triplet and open-shell singlet potential energy surfaces at a rate that is about ten times those of the hydrogen-abstraction-carbon-addition (HACA) reactions at 1500 K in the fuel-rich postflame region. The results also show that the most active reaction sites are in the center of the zigzag edges of the PAHs. Furthermore, the reaction products are more likely to form straight rather than branched aliphatic side chains in the case of reacting with diacetylene. The computed rate constants are also found to be independent of pressure at conditions of interest in soot formation, and the activation barriers of the CAHM reactions are linearly correlated with the diradical characters.

18.
Chin J Traumatol ; 19(4): 187-92, 2016 Aug 01.
Artículo en Inglés | MEDLINE | ID: mdl-27578372

RESUMEN

In this review, we focused on a few obstacles that hinder three-dimensional (3D) bioprinting process in tissue engineering. One of the obstacles is the bioinks used to deliver cells. Hydrogels are the most widely used bioink materials; however, they aremechanically weak in nature and cannot meet the requirements for supporting structures, especially when the tissues, such as cartilage, require extracellular matrix to be mechanically strong. Secondly and more importantly, tissue regeneration is not only about building all the components in a way that mimics the structures of living tissues, but also about how to make the constructs function normally in the long term. One of the key issues is sufficient nutrient and oxygen supply to the engineered living constructs. The other is to coordinate the interplays between cells, bioactive agents and extracellular matrix in a natural way. This article reviews the approaches to improve the mechanical strength of hydrogels and their suitability for 3D bioprinting; moreover, the key issues of multiple cell lines coprinting with multiple growth factors, vascularization within engineered living constructs etc. were also reviewed.


Asunto(s)
Bioimpresión , Ingeniería de Tejidos , Animales , Línea Celular , Humanos , Hidrogeles , Nanopartículas
19.
Beilstein J Org Chem ; 12: 253-9, 2016.
Artículo en Inglés | MEDLINE | ID: mdl-26977184

RESUMEN

A new and efficient synthetic method to obtain fully-substituted hexahydroisoindolinones was developed by using bifunctional tertiary amine-thioureas as powerful catalysts. As far as we know, there is no efficient synthetic method developed toward fully-substituted hexahydroisoindolinones. The products were obtained in good yield and diastereoselectivity. The one-pot cascade quadruple protocol features readily available starting materials, simple manipulation, mild conditions and good atom economy.

20.
J Med Virol ; 87(6): 970-7, 2015 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-25758129

RESUMEN

While highly active antiretroviral therapy has been successful in delaying progression into AIDS, late HIV diagnosis remains a major contributor to the mortality and morbidity of AIDS. An epidemiological study was conducted to evaluate the prevalence and factors of late diagnosis and the characteristics of those individuals with late diagnosis in Liuzhou city. Patients with late diagnosis were defined as either those who were diagnosed with AIDS at the time of HIV diagnosis or as those who developed AIDS no more than 1 year after HIV diagnosis. Of 899 participants, 72.6% had a late diagnosis. Common characteristics of those who experienced late diagnosis included older participants, those who were unexpectedly diagnosed while seeking other medical attention, participants who believed they could not acquire HIV from their regular heterosexual partners, those who never considered getting tested for HIV, and patients with unexplained weight loss, angular cheilitis, or prolonged fever prior to HIV diagnosis. On the other hand, those participants who were diagnosed via testing at compulsory rehabilitation centers and those whose annual household income was greater than 30,000 Yuan were less likely to be diagnosed late. These results suggested that late HIV diagnosis is common in Liuzhou city, and it is essential to promote appropriate strategies to detect HIV infections earlier. Strategies that require HIV/AIDS patients to notify their spouse/sexual-partners about their HIV-positive results within one month and start provider-initiated HIV testing and counseling in medical facilities are beneficial to earlier HIV diagnosis.


Asunto(s)
Diagnóstico Tardío , Infecciones por VIH/diagnóstico , Infecciones por VIH/epidemiología , Adolescente , Adulto , Anciano , Recuento de Linfocito CD4 , China/epidemiología , Consejo , Progresión de la Enfermedad , Femenino , Infecciones por VIH/prevención & control , Heterosexualidad , Humanos , Masculino , Tamizaje Masivo , Persona de Mediana Edad , Prevalencia , Factores de Riesgo , Asunción de Riesgos , Factores Sexuales , Parejas Sexuales , Factores de Tiempo , Adulto Joven
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