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result(s) for
"Liu, Jing-yao"
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Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria
2020
Supported atomic metal sites have discrete molecular orbitals. Precise control over the energies of these sites is key to achieving novel reaction pathways with superior selectivity. Here, we achieve selective oxygen (O
2
) activation by utilising a framework of cerium (Ce) cations to reduce the energy of 3
d
orbitals of isolated copper (Cu) sites. Operando X-ray absorption spectroscopy, electron paramagnetic resonance and density-functional theory simulations are used to demonstrate that a [Cu(I)O
2
]
3−
site selectively adsorbs molecular O
2
, forming a rarely reported electrophilic η
2
-O
2
species at 298 K. Assisted by neighbouring Ce(III) cations, η
2
-O
2
is finally reduced to two O
2−
, that create two Cu–O–Ce oxo-bridges at 453 K. The isolated Cu(I)/(II) sites are ten times more active in CO oxidation than CuO clusters, showing a turnover frequency of 0.028 ± 0.003 s
−1
at 373 K and 0.01 bar
P
CO
. The unique electronic structure of [Cu(I)O
2
]
3−
site suggests its potential in selective oxidation.
Precise control over the energy of atomic metal sites is key to unlocking novel reaction pathways. Here, the authors achieve selective oxygen activation by the isolated copper site on ceria, due to its reduced 3
d
orbital energy via cerium induced electron withdrawing effect.
Journal Article
The Application of Zeolites in the Selective Synthesis of Methylamine: A Review
2025
Methylamines, including monomethylamine (MMA), dimethylamine (DMA), and trimethylamine (TMA), are essential industrial intermediates. However, traditional catalysts suffer from poor product selectivity and are being phased out due to shifting market demands. Zeolites have emerged as promising alternatives due to their high activity and superior selectivity. Large- and medium-pore zeolites require modifications to enhance MMA- and DMA-selectivity by reducing pore size, whereas small-pore zeolites inherently exhibit high selectivity for MMA and DMA without modification. However, their high production costs have hindered large-scale commercialization. Research efforts are now focused on developing cost-effective catalysts to shift methylamine synthesis from equilibrium-driven (balancing) to selective (unbalancing) processes. This review explores the performance of zeolite-based catalysts in methylamine synthesis, highlighting key factors influencing selectivity. Additionally, it examines the challenges associated with small-pore zeolites and discusses strategies to enhance their application.
Journal Article
Dynamic Predictors for Malignancy Risk of Follicular Thyroid Neoplasms: A Real‐World, 10‐Year Cohort Study
by
Song, Shi‐Bing
,
Hu, Run‐Ze
,
Shan, Rui
in
Accuracy
,
Adenocarcinoma, Follicular - blood
,
Adenocarcinoma, Follicular - diagnostic imaging
2026
Objective The malignancy risk of follicular thyroid neoplasms (FTN) is variable, yet most studies rely on static, single‐time‐point assessments without monitoring dynamic changes. Methods We included patients who received two or more preoperative ultrasound examinations and were diagnosed with follicular thyroid carcinoma (FTC) or follicular thyroid adenoma (FTA) after surgery. We first identified 11 key predictors for the malignancy risk of FTN, comprising five static predictors (age, sex, body mass index, baseline mean tumor diameter, and surveillance duration) and six dynamic predictors [average thyroid‐stimulating hormone (TSH) level, TSH instability, weighted rate and instability of mean diameter, and changes in tumor margin and calcifications over time]. Then, we applied logistic regression to evaluate the association between each dynamic predictor and the malignancy risk of FTN, adjusting for the static predictors as potential confounders. Results The results showed that a higher average TSH level was associated with a decreased risk of malignancy in FTN [odds ratio (OR): 0.67; 95% confidence interval (CI): 0.49, 0.92]. However, a shift in margin from circumscribed to irregular or maintaining an irregular margin was associated with a higher risk of malignancy [OR (95% CI): 4.18 (1.49, 11.71) and 5.33 (2.51, 11.35)]. We observed no association between the rate or instability of the mean tumor diameter and the malignancy risk of FTN. Conclusion Changes in tumor margins (to irregular or lobulated) and lower average TSH levels were key predictors of a higher malignancy risk, while the rate or instability of tumor growth might play a minor role.
Journal Article
Correction: Sex Differences in the Joint Trajectories of Depressive Symptoms and Body Mass Index From Adolescence to Early Adulthood: Longitudinal Observational Study
2025
Correction of: https://pediatrics.jmir.org/2025/1/e72722
Journal Article
Size-Specific Predictors for Malignancy Risk in Follicular Thyroid Neoplasms: Machine Learning Analysis
by
Sun, Bang-Kai
,
Yang, Yi-hang
,
Shan, Rui
in
Accuracy
,
Adenocarcinoma, Follicular - diagnosis
,
Adenocarcinoma, Follicular - pathology
2025
Surgeons often face challenges in distinguishing between benign and malignant follicular thyroid neoplasms (FTNs), particularly small tumors, until diagnostic surgery is performed.
This study aimed to identify the size-specific predictors for the malignancy risk of FTNs preoperatively.
A retrospective cohort study was conducted at Peking University Third Hospital in Beijing, China, from 2012 to 2023. Patients with a postoperative pathological diagnosis of follicular thyroid adenoma (FTA) or follicular thyroid carcinoma (FTC) were included. FTNs were classified into small- and large-sized categories based on the cutoff value of the tumor diameter derived from spline regression, which indicated the turning point of malignancy risk. We identified the 5 most important predictors from 22 variables including demography, sonography, and hormones, using machine learning methods. We also calculated the odds ratios (OR) with 95% CI for these predictors in both small- and large-sized FTNs.
Altogether, we included 1494 FTNs, comprising 1266 FTAs and 228 FTCs. FTNs with a maximum diameter less than 3.0 cm were grouped as small-sized tumors (n=715), while those with larger diameters were categorized as large-sized tumors (n=779). In the small-sized group, tumors with macrocalcification (OR 2.90, 95% CI 1.50-5.60), those with peripheral calcification (OR 4.50, 95% CI 1.50-13.00), and those in younger patients (OR 1.33, 95% CI 1.05-1.69) showed a higher malignancy risk. In the large-sized group, tumors presenting with a nodule-in-nodule appearance (OR 3.30, 95% CI 1.30-7.90) exhibited a higher malignancy risk. In both groups, lower thyroid-stimulating hormone levels (OR 1.49, 95% CI 1.20-1.85 for small-sized FTNs; OR 1.61, 95% CI 1.37-1.96 for large-sized FTNs) and a larger mean diameter (OR 1.40, 95% CI 1.10-1.70 for small-sized FTNs; OR 1.50 95% CI 1.20-1.70 for large-sized FTNs) were associated with the malignancy risk of FTNs.
This study identified size-specific predictors for malignancy risk in FTNs, highlighting the importance of stratified prediction based on tumor size.
Journal Article
Fluorescence polarization assay improves the rapid detection of human brucellosis in China
2021
Background
Brucellosis is an infectious-allergic zoonotic disease caused by bacteria of the genus
Brucella
. Early diagnosis is the key to preventing, treating, and controlling brucellosis. Fluorescence polarization immunoassay (FPA) is a new immunoassay for relatively rapid and accurate detection of antibodies or antigens based on antigen–antibody interaction. However, there is no report on FPA-based detection of human brucellosis in China. Therefore, this study is to evaluate the value of FPA for the diagnosis of human brucellosis in China.
Methods
We recruited 320 suspected brucellosis cases who had the clinical symptoms and epidemiological risk factors between January and December, 2019. According to China Guideline for Human Brucellosis Diagnosis, the Rose Bengal test (RBT) was used for the screening test, and the serum agglutination test (SAT) was used as the confirmatory test. Brucellosis was confirmed only if the results of both tests were positive. Additionally, FPA and enzyme linked immune sorbent assay (ELISA) were compared with SAT, and their sensitivity, specificity, coincidence rate and consistency coefficient (Kappa value) as diagnostic tests were analyzed individually and in combination. The optimal cut-off value of FPA was also determined using the receiver operator characteristic (ROC) curve.
Results
The optimum cut-off value of FPA was determined to be 88.5 millipolarization (mP) units, with a sensitivity of 94.5% and specificity of 100.0%. Additionally, the coincidence rate with the SAT test was 96.6%, and the Kappa value (0.9) showed excellent consistency. The sensitivity and specificity of FPA and ELISA combined were higher at 98.0% and 100.0% respectively.
Conclusions
When the cut-off value of FPA test is set at 88.5 mP, it has high value for the diagnosis of brucellosis. Additionally, when FPA and ELISA are combined, the sensitivity of diagnosis is significantly improved. Thus, FPA may have potential in the future as a diagnostic method for human brucellosis in China.
Graphic abstract
Journal Article
Sex Differences in the Joint Trajectories of Depressive Symptoms and Body Mass Index From Adolescence to Early Adulthood: Longitudinal Observational Study
2025
Adolescence is a critical transitional period between childhood and adulthood, marked by dramatic changes in physical and psychosocial health. Adolescents are vulnerable to both depression and adiposity, but how these conditions evolve over time from adolescence to early adulthood and whether sex differences exist remained unclear.
To first identify the population heterogeneity in the joint trajectories of depressive symptoms and body mass index (BMI) from adolescence to early adulthood and then explore the sex differences in the joint trajectories.
In this study, we adopt the latent class trajectory modeling to identify the combined trajectories of depressive symptoms and BMI from adolescence at baseline to early adulthood at follow ups using a longitudinal study (2010-2020y). We used the multinomial logistic regressions to examine the sex-specific associations with the trajectory classifications.
Our results found that individuals' depressive symptoms and BMI might not always change parallelly from adolescence to early adulthood, instead, some individuals appeared to be prone to depressive symptoms or elevated BMI only while others were multimorbid by both of them. Moreover, our study identified a clear sex-specific pattern in the joint trajectories of depressive symptoms and BMI: the females were at a higher risk of developing depressive symptoms but remained relatively stable weight status over time (odds ratio (OR), 95% CI: 0.68, 0.52 to 0.89), while the males were at a lower risk of developing depressive symptoms but with an increasing risk of developing adiposity over time (OR, 95% CI: 1.83, 1.35 to 2.49).
Depressive symptoms and BMI might not always change parallelly from adolescence to early adulthood, and there is a clear sex-specific pattern in the joint trajectories of depressive symptoms and BMI. This will inform the design of future sex-specific interventions that match the distinguished profiles in males and females during the period of adolescence and early adulthood, respectively, thus maximizing the intervention effects in preventing both depression and adiposity in early life.
Journal Article
Building egg-tray-shaped graphenes that have superior mechanical strength and band gap
by
Yong-hao, Zheng
,
Liu, Wei
,
Xia, Jing
in
Artificial intelligence
,
Aversion learning
,
Binary alloys
2019
The major hindrances of implementing graphene in two-dimensional (2D) electronics are both mechanical (the tendency to crumble and form ripples) and electrical (the lack of a band gap). Moreover, the inevitable structural defects in graphene have a profound influence on its physical and chemical properties. Here, we propose a family of 2D egg-tray graphenes constructed by arranging pentagon and heptagon defects in the graphene lattice based on a careful analysis of the topological distribution of minima, maxima, and saddle points. First-principles calculations show that the egg-tray graphenes are dynamically stable, and their energies, which depend on the concentration of pentagons and heptagons, are the lowest among carbon allotropes. These 2D carbon allotropes exhibit a large variation in their electronic properties, ranging from semimetallic to semiconducting, including some allotropes that have Dirac cones in their band structures. Furthermore, some egg-tray graphenes are predicted to have negative Poisson’s ratios. The adsorption of Li atoms on the egg-tray graphenes is considerably stronger than the adsorption on perfect graphene, therefore they may absorb Li more effectively than graphene, which is important for improving the performance of rechargeable Li batteries.
Journal Article
The association between children’s motivation type and emotional overeating
2025
Emotional overeating (EoE) is recognized as a significant risk factor for general health due to excessive energy intake. Previous studies have explored various factors contributing to EoE, few of which have specifically focused on influences of motivational factors. This study aimed to explore the association between motivation types and EoE behavior, and the moderating role of personality traits, age, gender, and weight status in children. This cross-sectional study included 242 children aged 10–18 years (median: 13.00, interquartile range (IQR): 12.00 to 14.50 years) with 108 girls (44.63%). We assessed motivation types (autonomous regulation, external regulation, and introjected regulations) using the Treatment Self-Regulation Questionnaire-15 item (TSRQ-15) and computed the Relative Autonomy Index (RAI, where a higher score indicates a greater degree of autonomy) by combining the scores for different types of motivation. Multiple linear regression models were employed to analyze the relationships between children’s motivation types and their EoE behavior with adjustments for age and gender. To explore moderation effects, we conducted moderation analyses by including interaction terms (personality traits scores/gender/age group/weight status × motivation types) in the regression models. Regression analyses indicated that the EoE behavior scores increased by 0.126 (95% CI: 0.0003 to 0.251) and 0.373 (95% CI: 0.254 to 0.492) unit per 1-unit increase in introjected and external regulation scores, respectively, and decreased by 0.291 (95% CI: − 0.414 to − 0.168) and 0.257 (95% CI: − 0.381 to − 0.133) unit per 1-unit increase in the two RAIs calculated using different formulas, respectively, after adjusting for their age and gender. The positive association between introjected regulation and EoE behavior was more pronounced in children with higher neuroticism than in those with lower ones (
P
interaction
< 0.05). The negative association between RAIs and EoE behavior was more pronounced in children with higher conscientiousness or openness than in those with lower ones (
P
interaction
< 0.05). No moderating effects of age, gender, or weight status were observed in the relationships between children’s motivation types and their EoE behavior.
Conclusion
: A higher level of introjected or external regulation was associated with a higher level of EoE behavior, particularly among children with high neuroticism. Conversely, a higher level of autonomy was associated with a lower level of EoE behavior, with this relationship being stronger in children with high conscientiousness or openness compared to those with lower ones. Our findings suggested that enhancing autonomy motivation and reducing introjected or external regulation may be beneficial in reducing the incidence of EoE behavior and highlighted the importance of taking children’s personality traits into account during interventions to improve their effectiveness.
What is Known:
• Previous studies have suggested that a variety of psychological factors might influence EoE behavior; however, few of them have explored the associations between motivation types and EoE behavior and the moderating role of personality traits.
What is New:
• This study suggested that external and introjected regulations were associated with an increased risk of EoE behavior, whereas a greater degree of autonomous regulation was associated with a decreased risk of EoE behavior. These associations were stronger in children with the personality traits of higher neuroticism, conscientiousness, or openness.
Journal Article
Higher frequency of brain abnormalities in neuromyelitis optica spectrum disorder patients without primary Sjögren′s syndrome
2016
Neuromyelitis optica spectrum disorder often co-exists with primary Sjögren′s syndrome. We compared the clinical features of 16 neuromyelitis optica spectrum disorder patients with (n = 6) or without primary Sjögren′s syndrome (n = 10). All patients underwent extensive clinical, laboratory, and MRI evaluations. There were no statistical differences in demographics or first neurological involvement at onset between neuromyelitis optica spectrum disorder patients with and without primary Sjögren′s syndrome. The laboratory findings of cerebrospinal fluid oligoclonal banding, serum C-reactive protein, antinuclear autoantibody, anti-Sjögren′s-syndrome-related antigen A antibodies, anti-Sjögren′s-syndrome-related antigen B antibodies, and anti-Sm antibodies were significantly higher in patients with primary Sjögren′s syndrome than those without. Anti-aquaporin 4 antibodies were detectable in 67% (4/6) of patients with primary Sjögren′s syndrome and in 60% (6/10) of patients without primary Sjögren′s syndrome. More brain abnormalities were observed in patients without primary Sjögren′s syndrome than in those with primary Sjögren′s syndrome. Segments lesions (> 3 centrum) were noted in 50% (5/10) of patients without primary Sjögren′s syndrome and in 67% (4/6) of patients with primary Sjögren′s syndrome. These findings indicate that the clinical characteristics of neuromyelitis optica spectrum disorder patients with and without primary Sjögren′s syndrome are similar. However, neuromyelitis optica spectrum disorder patients without primary Sjögren′s syndrome have a high frequency of brain abnormalities.
Journal Article