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"Shen, Xiaopeng"
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Rational Design of Novel Single-Atom Catalysts of Transition-Metal-Doped 2D AlN Monolayer as Highly Effective Electrocatalysts for Nitrogen Reduction Reaction
2024
The single-atom catalysts (SACs) for the electrocatalytic nitrogen reduction reaction (NRR) have garnered significant attention in recent years. The NRR is regarded as a milder and greener approach to ammonia synthesis. The pursuit of highly efficient and selective electrocatalysts for the NRR continues to garner substantial interest, yet it poses a significant challenge. In this study, we employed density functional theory calculations to investigate the stability and catalytic activity of 29 transition metal atoms loaded on the two-dimensional (2D) AlN monolayer with Al monovacancy (TM@AlN) for the conversion of N2 to NH3. After screening the activity and selectivity of NRR, it was found that Os@AlN exhibited the highest activity for NRR with a very low limiting potential of −0.46 V along the distal pathway. The analysis of the related electronic structure, Bader charge, electron localization function, and PDOS revealed the origin of NRR activity from the perspective of energy and electronic properties. The high activity and selectivity towards the NRR of SACs are closely associated with the Os-3N coordination. Our findings have expanded the scope of designing innovative high-efficiency SACs for NRR.
Journal Article
Conformal surface plasmons propagating on ultrathin and flexible films
by
Martin-Cano, Diego
,
Shen, Xiaopeng
,
Garcia-Vidal, Francisco J.
in
Applied Physical Sciences
,
Bending
,
Dielectrics
2013
Surface plasmon polaritons (SPPs) are localized surface electromagnetic waves that propagate along the interface between a metal and a dielectric. Owing to their inherent subwavelength confinement SPPs have a strong potential to become building blocks of a type of photonic circuitry built up on 2D metal surfaces; however, SPPs are difficult to control on curved surfaces conformably and flexibly to produce advanced functional devices. Here we propose the concept of conformai surface plasmons (CSPs), surface plasmon waves that can propagate on ultrathin and flexible films to long distances in a wide broadband range from microwave to mid-infrared frequencies. We present the experimental realization of these CSPs in the microwave regime on paper-like dielectric films with a thickness 600-fold smaller than the operating wavelength. The flexible paper-like films can be bent, folded, and even twisted to mold the flow of CSPs.
Journal Article
A Novel Broadband Band-pass Filter Based on Spoof Surface Plasmon Polaritons
2016
In this paper, we present a novel broadband bandpass filter based on spoof surface plasmon polaritons (SSPPs) in the microwave frequency band. The proposed bandpass filter includes three parts: (1) coplanar waveguide (CPW); (2) matching transition; and (3) coupled structure that is an asymmetric coupled filter constructed by five grooved strips. The proposed bandpass filter realizes excellent low loss performance from 7 to 10 GHz, in which its insertion loss is around 1.5 dB in the same frequency band. Meanwhile, this filter has a good band stop characteristic from 3 to 7 GHz. A simple but accurate transmission line model was proposed to evaluate the proposed broadband SSPPs filter. The measured data, simulated results and the results obtained from the transmission line model have shown a very good agreement. The proposed planar broadband filter plays an important role for filtering surface plasmon polaritons (SPPs) waves in plasmonic circuits and systems.
Journal Article
Theoretical Study on the High HER/OER Electrocatalytic Activities of 2D GeSi, SnSi, and SnGe Monolayers and Further Improvement by Imposing Biaxial Strain or Doping Heteroatoms
by
Yu, Guangtao
,
Chen, Wei
,
Shen, Xiaopeng
in
2D materials (GeSi, SnSi, SnGe)
,
Analysis
,
biaxial strain
2022
Under the DFT calculations, two-dimensional (2D) GeSi, SnSi, and SnGe monolayers, considered as the structural analogues of famous graphene, are confirmed to be dynamically, mechanically and thermodynamically stable, and all of them can also possess good conductivity. Furthermore, we systematically investigate their electrocatalytic activities in overall water splitting. The SnSi monolayer can show good HER catalytic activity, while the SnGe monolayer can display remarkable OER catalytic activity. In particular, the GeSi monolayer can even exhibit excellent bifunctional HER/OER electrocatalytic activities. In addition, applying the biaxial strain or doping heteroatoms (especially P atom) can be regarded as the effective strategies to further improve the HER activities of these three 2D monolayers. The doped GeSi and SnSi systems can usually exhibit higher HER activity than the doped SnGe systems. The correlative catalytic mechanisms are also analyzed. This work could open up a new avenue for the development of non-noble-metal-based HER/OER electrocatalysts.
Journal Article
Spatial Coupling of Supply and Perceived Demand for Cultural Ecosystem Services in the Circum-Taihu Basin Using Multi-Source Data Fusion
2026
Cultural ecosystem services (CESs) represent a critical link between ecosystems and human well-being and constitute a core foundation for regional sustainable development. The balance between CES supply and demand directly affects the coordination efficiency between ecological conservation and socio-economic development, making it a key prerequisite for ecosystem management, conservation planning, and policy formulation. This study focuses on the circum-Taihu region and integrates multi-source data to assess public perceived demand and spatial supply capacity of CESs. Supply–demand matching relationships are examined across three dimensions, namely, scenic beauty, cultural heritage, and recreation, through the construction of a region-specific CES quantitative indicator system. The impacts of multiple environmental factors on CES supply–demand dynamics are further explored to provide scientific support for coordinated ecological, cultural, and economic sustainability at the regional scale. The findings demonstrate the following: (1) the proposed methodology effectively quantifies CES perception and supply capacity in the circum-Taihu region. Scenic beauty exhibits the highest perception levels, whereas cultural heritage and recreation show lower perception. Cultural heritage displays the strongest supply capacity, whereas scenic beauty and recreation exhibit weaker supply. (2) Significant spatial imbalances exist between CES perception levels and supply capacity across the circum-Taihu region. Areas exhibiting mismatches constitute the largest proportion for cultural heritage CESs, followed by scenic beauty, with recreation displaying the smallest amounts of imbalance. (3) Environmental drivers exert differentiated effects on CES supply–demand relationships. Slope, road network density, and elevation have significant positive effects, whereas the normalized difference vegetation index (NDVI), distance to water bodies, and distance to roads exhibit significant negative effects. Distance to roads imposes the strongest inhibitory influence on CES perception, whereas elevation emerges as the most influential driver of public perceived CES levels.
Journal Article
Exploration of the potential therapeutic effects and targets of Coriandrum sativum on non-erosive esophagitis based on bioinformatics and molecular dynamics simulation
2025
Gastroesophageal reflux disease (GERD) is one of the most frequently diagnosed gastrointestinal disorders, adversely affecting quality of life.
Coriandrum sativum
has been shown to effectively promote gastrointestinal motility, alleviate gastric discomfort, and positively impact esophageal health, but its mechanism of action remains unclear. This study utilized the TCMSP database to retrieve the components of coriander and the GEO database to identify NERD-related genes. Weighted Gene Co-expression Network Analysis (WGCNA) and machine learning were employed to identify candidate genes, followed by Protein-Protein Interaction (PPI) network analysis and external dataset validation to identify key candidate genes. These genes were further validated through Gene Set Enrichment Analysis (GSEA) and subcellular localization. Finally, molecular docking and molecular dynamics (MD) simulations identified Ammidin, campest-5-en-3beta-ol, Isofucosterol and beta-sitosterol as the key components in
Coriandrum sativum
for improving NERD. Future research should prioritize experimental validation of these compounds and further investigate potential resistance mechanisms to enhance their therapeutic efficacy and practical applications.
Journal Article
Association between dietary consumption of fatty acids and age-related macular degeneration in the National Health and Nutrition Examination Survey
2024
The aim of this study is to assess the relationship between dietary intake of fatty acids and the age-related macular degeneration (AMD) in the United States population. Adult participants of the 2005–2008 National Health and Nutrition Examination Survey (NHANES) were included in this nationwide cross-sectional study. Dietary fatty acid intake was obtained from two 24-h dietary recall interviews. The intake of dietary fatty acids was analyzed as a continuous and categorical variable. AMD status was assessed using nonmydriatic fundus photographs. Univariate and multivariate logistic regression analyses were used to assess the association between dietary fatty acid intake and AMD. The unweighted population included 4702 individuals of whom 374 had AMD. After adjusting for relevant variables, each 1 unit increase (1 mg/1000 kcal) intake of EPA (OR: 0.996, 95% CI: 0.993–0.996, P = 0.018), DPA (OR: 0.976, 95% CI: 0.962–0.990, P = 0.002), and DHA (OR: 0.996, 95% CI: 0.994–0.999, P = 0.003) were significantly decreased odds of any AMD. The highest versus lowest quartile of EPA (OR: 0.476,
P
for trend < 0.001), DPA (OR: 0.467,
P
for trend = 0.005) and DHA (OR: 0.586,
P
for trend = 0.008) were negatively associated with the odds of any AMD. Subgroup analysis showed that higher quartiles of EPA (OR: 0.461,
P
for trend < 0.002), DPA (OR: 0.467,
P
for trend = 0.006) and DHA (OR: 0.578,
P
for trend = 0.007) exhibited a negative association with early AMD. The study found no significant association between the intake of dietary fatty acids, including n-3 PUFA, and the odds of late AMD. In the 2005–2008 NHANES population, higher dietary DHA, DPA and EPA intake associated with decreased odds of early AMD. However, no clear association was found between specific types of FAs and late AMD.
Journal Article
miR-322/-503 rescues myoblast defects in myotonic dystrophy type 1 cell model by targeting CUG repeats
Myotonic dystrophy type 1 (DM1) is the most common type of adult muscular dystrophy caused by the expanded triple-nucleotides (CUG) repeats. Myoblast in DM1 displayed many defects, including defective myoblast differentiation, ribonuclear foci, and aberrant alternative splicing. Despite many were revealed to function in DM1, microRNAs that regulated DM1 via directly targeting the expanded CUG repeats were rarely reported. Here we discovered that miR-322/-503 rescued myoblast defects in DM1 cell model by targeting the expanded CUG repeats. First, we studied the function of miR-322/-503 in normal C2C12 myoblast cells. Downregulation of miR-322/-503 significantly hindered the myoblast differentiation, while miR-322/-503 overexpression promoted the process. Next, we examined the role of miR-322/-503 in the DM1 C2C12 cell model. miR-322/-503 was downregulated in the differentiation of DM1 C2C12 cells. When we introduced ectopic miR-322/-503 expression into DM1 C2C12 cells, myoblast defects were almost fully rescued, marked by significant improvements of myoblast differentiation and repressions of ribonuclear foci formation and aberrant alternative splicing. Then we investigated the downstream mechanism of miR-322/-503 in DM1. Agreeing with our previous work, Celf1 was proven to be miR-322/-503′s target. Celf1 knockdown partially reproduced miR-322/-503′s function in rescuing DM1 C2C12 differentiation but was unable to repress ribonuclear foci, suggesting other targets of miR-322/-503 existed in the DM1 C2C12 cells. As the seed regions of miR-322 and miR-503 were complementary to the CUG repeats, we hypothesized that the CUG repeats were the target of miR-322/-503. Through expression tests, reporter assays, and colocalization staining, miR-322/-503 was proved to directly and specifically target the expanded CUG repeats in the DM1 cell model rather than the shorter ones in normal cells. Those results implied a potential therapeutic function of miR-322/-503 on DM1, which needed further investigations in the future.
Journal Article
High-order localized spoof surface plasmon resonances and experimental verifications
2015
We theoretically demonstrated and experimentally verified high-order radial spoof localized surface plasmon resonances supported by textured metal particles. Through an effective medium theory and exact numerical simulations, we show the emergence of these geometrically-originated electromagnetic modes at microwave frequencies. The occurrence of high-order radial spoof plasmon resonances is experimentally verified in ultrathin disks. Their spectral and near-field properties are characterized experimentally, showing an excellent agreement with theoretical predictions. Our findings shed light into the nature of spoof localized surface plasmons and open the way to the design of broadband plasmonic devices able to operate at very different frequency regimes.
Journal Article
Hypoxia is fine-tuned by Hif-1α and regulates mesendoderm differentiation through the Wnt/β-Catenin pathway
2022
Background
Hypoxia naturally happens in embryogenesis and thus serves as an important environmental factor affecting embryo development. Hif-1α, an essential hypoxia response factor, was mostly considered to mediate or synergistically regulate the effect of hypoxia on stem cells. However, the function and relationship of hypoxia and Hif-1α in regulating mesendoderm differentiation remains controversial.
Results
We here discovered that hypoxia dramatically suppressed the mesendoderm differentiation and promoted the ectoderm differentiation of mouse embryonic stem cells (mESCs). However, hypoxia treatment after mesendoderm was established promoted the downstream differentiation of mesendoderm-derived lineages. These effects of hypoxia were mediated by the repression of the Wnt/β-Catenin pathway and the Wnt/β-Catenin pathway was at least partially regulated by the Akt/Gsk3β axis. Blocking the Wnt/β-Catenin pathway under normoxia using IWP2 mimicked the effects of hypoxia while activating the Wnt/β-Catenin pathway with CHIR99021 fully rescued the mesendoderm differentiation suppression caused by hypoxia. Unexpectedly, Hif-1α overexpression, in contrast to hypoxia, promoted mesendoderm differentiation and suppressed ectoderm differentiation. Knockdown of Hif-1α under normoxia and hypoxia both inhibited the mesendoderm differentiation. Moreover, hypoxia even suppressed the mesendoderm differentiation of Hif-1α knockdown mESCs, further implying that the effects of hypoxia on the mesendoderm differentiation were Hif-1α independent. Consistently, the Wnt/β-Catenin pathway was enhanced by Hif-1α overexpression and inhibited by Hif-1α knockdown. As shown by RNA-seq, unlike hypoxia, the effect of Hif-1α was relatively mild and selectively regulated part of hypoxia response genes, which fine-tuned the effect of hypoxia on mESC differentiation.
Conclusions
This study revealed that hypoxia is fine-tuned by Hif-1α and regulates the mesendoderm and ectoderm differentiation by manipulating the Wnt/β-Catenin pathway, which contributed to the understanding of hypoxia-mediated regulation of development.
Journal Article