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1.
Chemosphere ; 293: 133613, 2022 Jan 12.
Artigo em Inglês | MEDLINE | ID: mdl-35032512

RESUMO

To promote the colonization of Phragmites in Cd polluted, nutrient deprived and structural damaged soil, the combined remediation using chemical and microbial modifiers were carried out in potting experiments. The co-application of Diversispora versiformis and sodium bentonite significantly improved the soil structure and phosphorus utilization of the plant, while decreasing the content of cadmium bound by diethylenetriaminepentaacetic acid by 77.72%. As a result, the Phragmites height, tillers, and photosynthetic capacity were increased by 71.60%, 38.37%, and 17.54%, respectively. Further analysis suggested the co-application increased the abundance of phosphorus-releasing microbial communities like Pseudomonassp. and Gemmatimonadetes. Results of rhizosphere metabolites also proved that the signal molecule of lysophosphatidylcholine regulated the phosphorus fixation and utilization by the plant. This work finds composite modifiers are effective in the colonization of Phragmites in Cd contaminated soil by decreasing the bioavailable Cd, increasing the abundance of functional microbial communities and regulating the phosphorus fixation.

2.
J Neurol ; 2022 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-35013788

RESUMO

BACKGROUND: Neuroimaging studies have reported gray matter changes in patients with idiopathic dystonia but with considerable variations. Here, we aimed to investigate the convergence of dystonia-related gray matter changes across studies. METHODS: The whole brain voxel-based morphometry studies comparing idiopathic dystonia and healthy controls were systematically searched in the PubMed, Web of Science and Embase. Meta-analysis of gray matter changes was performed using the anisotropic effect size-based signed differential mapping. RESULTS: Twenty-eight studies comparing 701 idiopathic dystonia patients and 712 healthy controls were included in the meta-analysis. Compared to healthy controls, idiopathic dystonia patients showed increased gray matter in bilateral precentral and postcentral gyri, bilateral putamen and pallidum, right insula, and left supramarginal gyrus, while decreased gray matter in bilateral temporal poles, bilateral supplementary motor areas, right angular gyrus, inferior parietal gyrus and precuneus, left insula and inferior frontal gyrus. These findings remained robust in the jackknife sensitivity analysis, and no significant heterogeneity was detected. Subgroup analyses of different phenotypes of dystonia were performed to further confirm the above findings. CONCLUSION: The meta-analysis showed that consistent widespread gray matter abnormalities were shared in different subtypes of idiopathic dystonia and were not restricted to the corticostriatal circuits.

3.
Orthop Surg ; 14(1): 129-138, 2022 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-35023317

RESUMO

OBJECTIVE: To investigate the role of dementia in pneumonia among geriatric patients with hip fracture and further develop an algorithm for stratifying risk of developing postoperative pneumonia. METHODS: The algorithm was developed after retrospectively analyzing 1344 hip fracture patients in the National Clinical Research Center for Orthopedics, Sports Medicine, and Rehabilitation from 1992 to 2012. Twenty-eight variables were analyzed for evaluating the ability to predict postoperative pneumonia. The validation of the algorithm was performed in the MIMIC-III database after enrolling 235 patients. RESULTS: One thousand five hundred and seventy-nine patients were enrolled, 4.69% patients had postoperative pneumonia in our hospital, and 17.02% suffered pneumonia in the MIMIC-III database. Dementia patients had more postoperative pneumonia (12.68% vs 4.24%, P = 0.0075), as compared with patients without dementia. The algorithm included nine predictors: dementia, age, coronary heart disease, the American Society of Anesthesiologists score, surgical method, mechanical ventilation, anemia, hypoproteinemia, and high creatinine. Internal validation showed the algorithm with dementia could improve predictive performance, while external validation found the algorithm with or without dementia both had similar and good predictive ability. CONCLUSIONS: The algorithm has the potential to be a pragmatic risk prediction tool to calculate risk of pneumonia in clinical practice and it may also be applicable in critically ill hip fracture patients with dementia.

4.
Food Chem ; 372: 131241, 2022 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-34627085

RESUMO

In order to explore the mechanism of mulberry polyphenols inhibiting the oxidation of myofibrillar protein (MP), the effect of mulberry polyphenols on the structure and physicochemical properties of MP in the oxidation system was investigated. The results revealed that the content of carbonyl group and sulfhydryl group of MP was notably reduced, while the Zeta potential, storage modulus G' and surface hydrophobicity were improved when the addition of mulberry polyphenol was 0.5%. SDS-PAGE showed an irreducible aggregation of mulberry polyphenols with proteins. Fluorescence spectroscopy and FT-IR analysis manifested that mulberry polyphenols promoted the unfolding of protein structure and the transformation of α-helix to ß-turn structure. Scanning electron microscopy (SEM) observed that oxidation with polyphenols facilitated the cross-linking and aggregation of MP more tightly. Nevertheless, excessive addition (≥1.0%) weakened its gel properties. Thus, to maintain the good quality of meat products, both polyphenols addition and oxidation intensity should be controlled simultaneously.


Assuntos
Morus , Polifenóis , Animais , Bovinos , Frutas , Oxirredução , Espectroscopia de Infravermelho com Transformada de Fourier
5.
Food Chem ; 369: 130828, 2022 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-34488128

RESUMO

This study systematically analyzed and compared thechanges of physicochemical, functional and molecular structural characteristics between thick egg white (KEW) and thin egg white (NEW) during storage. Analysis of physicochemical properties showed that moisture content decreased significantly with the increase of pH during storage. KEW was gradually thinning, while NEW was closer to Newtonian fluid. Functional properties indicated that KEW thermal gel was gradually hard and brittle with the properties of NEW. KEW had better emulsifying property than NEW, and NEW had superior foaming ability. The α-helix and ß-sheet in the FT-IR spectrum showed a downward trend, revealing secondary structure changed from order to disorder. Enhancement of fluorescence intensity indicated the structural unfolding and exposure of tryptophan residues. SDS-PAGE proved that OVO might be related to the difference between KEW and NEW characteristics. This study provided new idea and reference value for egg storage and diversified utilization of egg white.


Assuntos
Clara de Ovo , Clara de Ovo/análise , Eletroforese em Gel de Poliacrilamida , Estrutura Molecular , Estrutura Secundária de Proteína , Espectroscopia de Infravermelho com Transformada de Fourier
6.
Food Chem ; 371: 131103, 2022 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-34537608

RESUMO

Hydroxyl radical system combined with GC-IMS and metabolomics were used to assess the effect of oxidation on the formation of volatile flavor emitted from yak meat. The formation of volatile compounds, including heptanal, octanal, nonanal, 2,3-glutaraldehyde, 3-hydroxy-2-butanone, etc. were promoted by oxidation. Among them, 2,3-pentanedione and 3-hydroxy-2-butanone, etc. maybe contributed most to the overall aroma of yak meat, while octanal, nonanal and benzaldehyde maybe related to the formation of off-odor or acidification. Meanwhile, the content of metabolites such as oleic acid, linoleic acid, etc. fatty acids and 3-dehydromangiferic acid, tyrosine were increased or decreased with the time of oxidation. More importantly, the formation of most flavor components in yak meat during the course of oxidation were related to stearidonic acid, acetylleucine, dehydroshikimate, 6-phosphate-glucose etc. differential metabolic components. Moreover, starch and sucrose metabolism (prediction), and amino acid metabolism (enrichment) etc. pathways maybe related with the process of oxidation.


Assuntos
Compostos Orgânicos Voláteis , Animais , Bovinos , Aromatizantes/análise , Carne , Odorantes/análise , Paladar
7.
World J Clin Cases ; 9(31): 9662-9669, 2021 Nov 06.
Artigo em Inglês | MEDLINE | ID: mdl-34877304

RESUMO

BACKGROUND: Hepatic tuberculosis (TB) is uncommon clinically. Because of a lack of specific signs, characteristic symptoms and clinical manifestations and because pathological samples are difficult to obtain, hepatic TB is easily missed or misdiagnosed. CASE SUMMARY: A 62-year-old Chinese man presented with jaundice for 1 wk and no abnormal laboratory tests other than elevated bilirubin, aminotransferases and C-reactive protein. Computed tomography (CT) of the abdomen showed a mass in the left lobe of the liver and hepatic hilum with striped calcified foci. Mild enhancement was visible at the edges, along with extensive intrahepatic biliary ductal dilatation in the right lobe of the liver. In the arterial phase of both CT and magnetic resonance imaging, the main trunk and right branch of the portal artery were partially visualized. Magnetic resonance cholangiopancreatography (MRCP) indicated that the left lobe of the liver and most of the bile ducts in the hilum were not visible. Pathological examination revealed coagulative necrosis, and granulomatous nodules were seen around areas of necrosis; therefore, TB was considered. CONCLUSION: Hepatic tuberculosis is easily misdiagnosed or missed on imaging. Percutaneous puncture biopsy is the most useful tool for definitive diagnosis.

8.
BMC Musculoskelet Disord ; 22(1): 1013, 2021 Dec 04.
Artigo em Inglês | MEDLINE | ID: mdl-34863133

RESUMO

BACKGROUND: There is a paucity of data concerning the morphological differences of resected distal femurs and proximal tibias in osteoarthritic (OA) and normal knees. The objective of this study was to determine whether morphometric differences in the surfaces of resected distal femurs and proximal tibias exist between OA and normal knees in a Chinese population. METHODS: Ninety-four OA knees and ninety-five normal knees were evaluated in Chinese individuals. Computed tomography was used to measure the femoral mediolateral (fML), medial anteroposterior (fMAP), lateral anteroposterior (fLAP), medial condylar width (fMCW), lateral condylar width (fLCW), medial posterior condylar curvature radii (fMCR), lateral posterior condyle curvature radii (fLCR), fML/fMAP aspect ratio, tibial mediolateral (tML), middle anteroposterior (tAP), medial anteroposterior (tMAP), and lateral anteroposterior (tLAP) tML/tMAP aspect ratio to determine the morphologic differences between OA and normal knees. RESULTS: The average fMCW and tMAP dimensions of OA knees were larger than those of normal knees in both male and female (p <0.05). The fMAP/fML aspect ratio and tMAP/tML aspect ratio were also significantly different in both sexs (p <0.05). OA knees have an oval-shaped distal femur with a wider ML length and more spherical-shaped proximal tibiae with relatively narrow ML dimensions. CONCLUSIONS: The study revealed the morphological differences in fMCW, tMAP, fMAP/fML and tMAP/tML between OA and normal knees in both males and females. These findings may provide guidelines that can be used to design better knee implants that are more size-matched for OA knees.

9.
Front Pediatr ; 9: 775488, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34869127

RESUMO

Background: FERM domain-containing protein 4A (FRMD4A) is a scaffolding protein previously proposed to be critical in the regulation of cell polarity in neurons and implicated in human intellectual development. Case Presentation: We report a case of a 3-year-old boy with corpus callosum anomaly, relative macrocephaly, ataxia, and unexplained global developmental delay. Here, compound heterozygous missense mutations in the FRMD4A gene [c.1830G>A, p.(Met610Ile) and c.2973G>C, p.(Gln991His)] were identified in the proband, and subsequent familial segregation showed that each parent had transmitted a mutation. Conclusions: Our results have confirmed the associations of mutations in the FRMD4A gene with intellectual development and indicated that for patients with unexplained global developmental delay, the FRMD4A gene should be included in the analysis of whole exome sequencing data, which can contribute to the identification of more patients affected by this severe phenotypic spectrum.

10.
J Phys Chem Lett ; 12(48): 11736-11744, 2021 Dec 09.
Artigo em Inglês | MEDLINE | ID: mdl-34851116

RESUMO

Two-dimensional (2D) electronic spectroscopy is a powerful nonlinear technique which provides spectroscopic information on two frequency axes as well as dynamical information as a function of the so-called waiting time. Herein, an ab initio theoretical framework for the simulation of electronic 2D spectra has been developed. The method is based on the classical approximation to the doorway-window representation of three-pulse photon-echo signals and the description of nuclear motion by classical trajectories. Nonadiabatic effects are taken into account by a trajectory surface-hopping algorithm. 2D electronic spectra were simulated with ab initio on-the-fly trajectory calculations using the ADC(2) electronic-structure method for the pyrazine molecule, which is a benchmark system for ultrafast radiationless decay through conical intersections. It is demonstrated that 2D spectroscopy with subfemtosecond UV pulses can provide unprecedented detailed information on the ultrafast photodynamics of polyatomic molecules.

11.
BMC Anesthesiol ; 21(1): 300, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-34852781

RESUMO

BACKGROUND: Previous studies have shown that women achieve a better quality of postoperative recovery from total intravenous anesthesia (TIVA) than from inhalation anesthesia, but the effect of anesthesia type on recovery in male patients is unclear. This study therefore compared patient recovery between males undergoing lumbar surgery who received TIVA and those who received sevoflurane anesthesia. METHODS: Eighty male patients undergoing elective one- or two-level primary transforaminal lumbar interbody fusion (TLIF) were randomly divided into two groups: the TIVA group (maintenance was achieved with propofol and remifentanil) or sevoflurane group (SEVO group: maintenance was achieved with sevoflurane and remifentanil). The quality of recovery-40 questionnaire (QoR-40) was administered before surgery and on postoperative days 1 and 2 (POD1 and POD2). Pain scores, postoperative nausea and vomiting, postoperative hospital stay, anesthesia consumption, and adverse effects were recorded. RESULTS: The QoR-40 scores were similar on the three points (Preoperative, POD1 and POD2). Pain scores were significantly lower in the SEVO group than in the TIVA group on POD1 (30.6 vs 31.4; P = 0.01) and POD2 (32 vs 33; P = 0.002). There was no significant difference in the postoperative hospital stay or complications in the postanesthesia care unit between the TIVA group and the SEVO group. CONCLUSIONS: This study demonstrates that the quality of recovery is not significantly different between male TLIF surgery patients who receive TIVA and those who receive sevoflurane anesthesia. Patients in the TIVA group had better postoperative analgesic effect on POD2. TRIAL REGISTRATION: This was registered at http://www.chictr.org.cn (registration number ChiCTR-IOR-16007987, registration date: 24/02/2016).

12.
Signal Transduct Target Ther ; 6(1): 401, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-34848680

RESUMO

Met tyrosine kinase, a receptor for a hepatocyte growth factor (HGF), plays a critical role in tumor growth, metastasis, and drug resistance. Mitochondria are highly dynamic and undergo fission and fusion to maintain a functional mitochondrial network. Dysregulated mitochondrial dynamics are responsible for the progression and metastasis of many cancers. Here, using structured illumination microscopy (SIM) and high spatial and temporal resolution live cell imaging, we identified mitochondrial trafficking of receptor tyrosine kinase Met. The contacts between activated Met kinase and mitochondria formed dramatically, and an intact HGF/Met axis was necessary for dysregulated mitochondrial fission and cancer cell movements. Mechanically, we found that Met directly phosphorylated outer mitochondrial membrane protein Fis1 at Tyr38 (Fis1 pY38). Fis1 pY38 promoted mitochondrial fission by recruiting the mitochondrial fission GTPase dynamin-related protein-1 (Drp1) to mitochondria. Fragmented mitochondria fueled actin filament remodeling and lamellipodia or invadopodia formation to facilitate cell metastasis in hepatocellular carcinoma (HCC) cells both in vitro and in vivo. These findings reveal a novel and noncanonical pathway of Met receptor tyrosine kinase in the regulation of mitochondrial activities, which may provide a therapeutic target for metastatic HCC.

13.
Front Oncol ; 11: 738832, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34926253

RESUMO

Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors (TKIs) are the standard of care for advanced non-small-cell lung cancer (NSCLC) patients. However, most patients will eventually develop resistance. For EGFR-TKI resistance mediated by MET amplification, the combination of EGFR and MET TKIs has shown promising results in early clinical trials. However, acquired resistance to MET inhibitors forms a formidable challenge to this dual blockade approach. Here, we presented an NSCLC patient with EGFR exon 19 deletion (ex19del) who was resistant to first-line erlotinib treatment but responded to chemotherapy. Given the finding of MET overexpression/amplification after disease progression, the patient received gefitinib plus crizotinib with a partial response. Her disease progressed again, and molecular testing revealed a novel MET Y1230H mutation and a PD-L1 TPS score of 75%. She received a salvage regime consisting of gefitinib, cabozantinib, and pembrolizumab with a partial response. Since we now know that EGFR ex19del NSCLC patients generally do not respond to PD-1 blockade therapy, this response is more likely the contribution from gefitinib plus cabozantinib. Therefore, sequential use of type I and II MET inhibitors in EGFR/MET dual blockade may be an effective therapeutic option for EGFR-mutant, MET-amplified NSCLC.

14.
Andrologia ; : e14355, 2021 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-34931337

RESUMO

Cystic fibrosis transmembrane conductance regulator (CFTR) gene mutation has been clearly defined in congenital absence of the vas deferens (CAVD), which is an important cause of obstructive azoospermia. However, the association between oligoasthenospermia and CFTR gene mutation remains controversial. To confirm this issue, 151 infertile Chinese men were screened for CFTR mutation by NGS approach, including 18 CAVD patients, 72 patients with severe oligoasthenospermia and 61 controls with normal sperm parameters. Frequency of mutation in exons of CFTR gene were 66.7% in CAVD patients (12/18) (p < 0.001) and 8.33% in severe oligoasthenospermic patients (6/72) (p < 0.05), both of which were significantly more frequent than that in the controls (0/61). In terms of introns mutation of CFTR gene, there was no significant difference in frequency of 5T between oligoasthenospermic men (5/144, 3.47%) and the controls (4/122, 3.28%) (p = 0.645). In addition, 6 novel mutations in exons of CFTR gene in this study (c.3736A>G, c.635T>G, c.482delA, c.1858C>T, c.2042A>T, c.1586A>C) have not been reported in the Cystic Fibrosis Mutation Database before. Thus, our study provides evidence that CFTR gene mutation may be the aetiology of severe oligoasthenospermia other than CAVD. It may be necessary to screen for CFTR mutations in men with severe oligoasthenospermia before receiving assisted reproductive technology.

15.
Materials (Basel) ; 14(24)2021 Dec 08.
Artigo em Inglês | MEDLINE | ID: mdl-34947141

RESUMO

A stochastic pore network modeling method with tailored structures is proposed to investigate the impacts of surface microchannels on the transport properties of porous fibrous media. Firstly, we simplify the original pore network extracted from the 3D images. Secondly, a repeat sampling strategy is applied during the stochastic modeling of the porous structure at the macroscale while honoring the structural property of the original network. Thirdly, the microchannel is added as a spherical chain and replaces the overlapped elements of the original network. Finally, we verify our model via a comparison of the structure and flow properties. The results show that the microchannel increases the permeability of flow both in the directions parallel and vertical to the microchannel direction. The microchannel plays as the highway for the pass of reactants while the rest of the smaller pore size provides higher resistance for better catalyst support, and the propagation path in the network with microchannels is more even and predictable. This work indicates that our modeling framework is a promising methodology for the design optimization of cross-scale porous structures.

16.
Wideochir Inne Tech Maloinwazyjne ; 16(4): 678-685, 2021 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-34950262

RESUMO

Introduction: Stent insertion is the most frequently used option to treat malignant biliary obstruction (MBO) patients. Hilar cholangiocarcinoma (HCCA) is the most common disease that causes hilar MBO. Aim: To assess the clinical efficacy and long-term outcomes of I-125 seed-loaded stent (ISS) insertion for HCCA patients. Material and methods: Consecutive patients with HCCA underwent either normal stent (NS) or ISS insertion between January 2017 and December 2019. The baseline and treatment data of these two groups were compared. Results: During the period, a total of 93 patients with inoperable HCCA were divided into either NS (n = 48) or ISS (n = 45) insertion groups at our centre. Technical success rates of the NS and ISS insertion were 91.7% and 95.6%, respectively (p = 0.733). Clinical success rates were 93.2% and 100% in the NS and ISS groups, respectively (p = 0.24). Stent dysfunction was observed in 11 and 8 patients in the NS and ISS groups, respectively (p = 0.47). The median stent patency was 143 days and 208 days in the NS and ISS groups, respectively (p < 0.001). All patients died in the follow-up period, with median survival duration of 178 days and 220 days in the NS and ISS groups, respectively (p < 0.001). ISS insertion was the only predictor of longer patency (p = 0.002) and survival (p = 0.01). Conclusions: ISS insertion might achieve longer patency and overall survival in patients with inoperable HCCA as compared with NS insertion.

17.
Artigo em Inglês | MEDLINE | ID: mdl-34954129

RESUMO

Serine/arginine-rich splicing factor 7 (SRSF7), a known splicing factor, has been revealed to play oncogenic roles in multiple cancers. However, the mechanisms underlying its oncogenic roles have not been well addressed. Here, based on N6-methyladenosine (m6A) co-methylation network analysis across diverse cell lines, we find that the gene expression of SRSF7 is positively correlated with glioblastoma cell-specific m6A methylation. We then indicate that SRSF7 is a novel m6A regulator, which specifically facilitates the m6A methylation near its binding sites on the mRNAs involved in cell proliferation and migration, through recruiting methyltransferase complex. Moreover, SRSF7 promotes the proliferation and migration of glioblastoma cells largely dependent on the presence of the m6A methyltransferase. The two m6A sites on PDZ binding kinase (PBK) are regulated by SRSF7 and partially mediate the effects of SRSF7 in glioblastoma cells through recognition by insulin-like growth factor 2 mRNA-binding protein 2 (IGF2BP2). Together, our discovery reveals a novel role of SRSF7 in regulating m6A and validates the presence and functional importance of temporal- and spatial-specific regulation of m6A mediated by RNA binding proteins (RBPs).

18.
BMC Pulm Med ; 21(1): 419, 2021 Dec 18.
Artigo em Inglês | MEDLINE | ID: mdl-34922497

RESUMO

BACKGROUND: Relapse after effective bronchial arterial embolization (BAE) for controlling hemoptysis is not uncommon. Studies reported diverse predictors of recurrence. However, a model to assess the probability of recurrence in non-cancer related hemoptysis patients after BAE has not been reported. This study was to develop a model to predict recurrence after BAE for non-cancer related hemoptysis. METHODS: The study cohort included 487 patients who underwent BAE for non-cancer-related hemoptysis between January 2015 and December 2019. We derived the model's variables from univariate and multivariate Cox regression analyses. The model presented as a nomogram scaled by the proportional regression coefficient of each predictor. Model performance was assessed with respect to discrimination and calibration. RESULTS: One-month and 1-, 2-, 3- and 5-year recurrence-free rates were 94.5%, 88.0%, 81.4%, 76.2% and 73.8%, respectively. Risk factors for recurrence were underlying lung diseases and the presence of systemic arterial-pulmonary circulation shunts. This risk prediction model with two risk factors provided good discrimination (area under curve, 0.69; 95% confidence interval, 0.62-0.76), and lower prediction error (integrated Brier score, 0.143). CONCLUSION: The proposed model based on routinely available clinical and imaging features demonstrates good performance for predicting recurrence of non-cancer-related hemoptysis after BAE. The model may assist clinicians in identifying higher-risk patients to improve the long-term efficacy of BAE.

19.
Front Mol Biosci ; 8: 742953, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34722632

RESUMO

Intrahepatic cholangiocarcinoma (iCCA) is the second most common cancer in liver, with a high recurrence rate after surgery. Recently, we identified a CD11b-CD169-based myeloid response score (MRS), which showed remarkable prognostic potential in hepatocellular carcinoma (HCC). Here, we aimed to verify the prognostic value of the MRS in iCCA and establish an MRS-based nomogram to predict the postoperative prognosis of iCCA patients. From April 2005 to March 2017, a total of 84 patients from the Third Affiliated Hospital of Sun Yat-sen University were enrolled. Preoperative clinical information and surgical specimens of enrolled patients were collected. Among these, tissues from 75 patients passed the clinical data quality control and the staining quality control. The protein expression of CD11b and CD169 in iCCA samples were detected by immunohistochemistry (IHC). Kaplan-Meier analysis and receiver operating characteristic (ROC) curves revealed that the MRS had a high discriminatory ability for predicting the time to recurrence (TTR) of iCCA patients after surgery. Three independent risk factors selected by a Cox proportional hazards regression analysis, namely, the MRS, the tumor size and the status of vascular invasion, were included to construct a nomogram to predict the recurrence of iCCA after resection surgery. ROC curves, calibration analysis and decision curve analysis (DCA) suggested that this nomogram had notable discriminatory power, stability and clinical usefulness in predicting the postoperative recurrence. Together, we explored the prognostic value of the MRS in iCCA, and constructed an MRS-based nomogram which may help to predict postoperative recurrence and aid clinical decisions for iCCA patients.

20.
J Phys Chem A ; 125(45): 9917-9931, 2021 Nov 18.
Artigo em Inglês | MEDLINE | ID: mdl-34748705

RESUMO

In the past decade, polymeric carbon nitrides consisting of heptazine (Hz) building blocks emerged as highly promising materials for photocatalytic hydrogen evolution from water or sacrificial electron donors with near-ultraviolet light. However, the complexity of these materials and their poor characterization at the atomic level are detrimental to the unraveling of the detailed mechanisms of the reactions leading to hydrogen evolution. Recently, it has been shown that a derivative of the Hz molecule, trianisole-heptazine (TAHz), is a potent photobase, which readily oxidizes various derivatives of phenol and even water by an excited-state proton-coupled electron-transfer (PCET) reaction. Energy profiles along minimum-energy reaction paths and relaxed PCET potential-energy surfaces, which previously were computed with ab initio electronic-structure methods for complexes of Hz and TAHz with protic substrates, led to qualitative insights. To obtain more quantitative insight, reaction dynamics simulations are required. In the present work, the time scales of the electron and proton transfer processes and the branching ratios of competing channels were explored with ab initio on-the-fly quasiclassical surface-hopping trajectory simulations for the hydrogen-bonded Hz-H2O complex. By the analysis of representative trajectories, detailed insight into the interplay of various nonadiabatic electronic transitions, electron transfer, proton transfer, and vibrational energy relaxation is obtained. The HzH radicals which are formed by the photoreduction of Hz can disproportionate to Hz and HzH2 in an exothermic reaction with a low reaction barrier. The time scales and branching ratios of competing channels in H-atom photodetachment from the HzH2 molecule also were explored with ab initio surface-hopping simulations. These results delineate for the first time a quantitatively supported scenario of water oxidation and hydrogen evolution with a molecular carbon nitride photocatalyst.

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