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Sökning: WFRF:(Sun Xiaoyan)

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2.
  • 2019
  • Tidskriftsartikel (refereegranskat)
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3.
  • Chen, Jie, et al. (författare)
  • Bidirectional Mendelian Randomisation Analysis Provides Evidence for the Causal Involvement of Dysregulation of CXCL9, CCL11 and CASP8 in the Pathogenesis of Ulcerative Colitis
  • 2023
  • Ingår i: Journal of Crohn's & Colitis. - : Oxford University Press. - 1873-9946 .- 1876-4479. ; 17:5, s. 777-785
  • Tidskriftsartikel (refereegranskat)abstract
    • Background and Aims Systemic inflammation is well recognised to be associated with ulcerative colitis [UC], but whether these effects are causal or consequential remains unclear. We aimed to define potential causal relationship of cytokine dysregulation with different tiers of evidence. Methods We first synthesised serum proteomic profiling data from two multicentred observational studies, in which a panel of systemic inflammatory proteins was analysed to examine their associations with UC risk. To further dissect observed associations, we then performed a bidirectional two-sample Mendelian randomisation [TSMR] analysis from both forward and reverse directions using five genome-wide association study [GWAS] summary level data for serum proteomic profiles and the largest GWAS of 28 738 European-ancestry individuals for UC risk. Results Pooled analysis of serum proteomic data identified 14 proteins to be associated with the risk of UC. Forward MR analysis using only cis-acting protein quantitative trait loci [cis-pQTLs] or trans-pQTLs further validated causal associations of two chemokines and the increased risk of UC: C-X-C motif chemokine ligand 9 [CXCL9] [OR 1.45, 95% CI 1.08, 1.95, p = 0.012] and C-C motif chemokine ligand 11 [CCL11] [OR 1.14, 95% CI 1.09, 1.18, p = 3.89 x 10(-10)]. Using both cis- and trans-acting pQTLs, an association of caspase-8 [CASP8] [OR 1.04, 95% CI 1.03, 1.05, p = 7.63 x 10(-19)] was additionally identified. Reverse MR did not find any influence of genetic predisposition to UC on any of these three inflammation proteins. Conclusion Pre-existing elevated levels of CXCL9, CCL11 and CASP8 may play a role in the pathogenesis of UC.
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4.
  • Shen, Gulou, et al. (författare)
  • Partition and selectivity of electrolytes in cylindrical nanopores with heterogeneous surface charge
  • 2021
  • Ingår i: Journal of Molecular Liquids. - : Elsevier. - 0167-7322 .- 1873-3166. ; 340
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, ion partitioning and selectivity in cylindrical nanopores with heterogeneous surface charges at equilibrium with reservoirs are investigated by a two-dimensional (2D) classical density functional theory (DFT). We present an efficient numerical method for the large 2D system in which the fast Hankel transform and fast Fourier transform are used to calculate convolution integrals, and a hybrid method of Picard iteration and Anderson mixing is used to solve the Euler-Lagrange equations. The performance of the 2D DFT is tested by calculating the profiles of a model electrolyte in long homogeneous cylindrical nanopores. The profiles from the 2D DFT model matches well with those from a 1D DFT, and the computing time of the hybrid iteration algorithm is six times shorter than that of pure Picard iteration. We apply the model to electrolytes in cylindrical nanopores with heterogeneous surface charges. It is found that the ion adsorption and selectivity are strongly affected by the surface charge pattern, the magnitude of the surface charge, the size of charged domains on the surface, and the pore size.
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5.
  • Sun, Yuhao, et al. (författare)
  • The Contribution of Genetic Risk and Lifestyle Factors in the Development of Adult-Onset Inflammatory Bowel Disease : A Prospective Cohort Study
  • 2023
  • Ingår i: American Journal of Gastroenterology. - : Lippincott Williams & Wilkins. - 0002-9270 .- 1572-0241. ; 118:3, s. 511-522
  • Tidskriftsartikel (refereegranskat)abstract
    • INTRODUCTION: The joint associations across genetic risk, modifiable lifestyle factors, and inflammatory bowel disease (IBD) remains unclear.METHODS: Genetic susceptibility to Crohn's disease (CD) and ulcerative colitis (UC) was estimated by polygenic risk scores and further categorized into high, intermediate, and low genetic risk categories. Weighted healthy lifestyle scores were constructed based on 5 common lifestyle factors and categorized into favorable (4 or 5 healthy lifestyle factors), intermediate (3 healthy lifestyle factors), and unfavorable (0-2 healthy lifestyle factors) groups. Cox proportional hazards regression model was used to estimate the hazard ratios (HR) and 95% confidence interval (CI) for their associations.RESULTS: During the 12-year follow-up, 707 cases with CD and 1576 cases with UC were diagnosed in the UK Biobank cohort. Genetic risk and unhealthy lifestyle categories were monotonically associated with CD and UC risk with no multiplicative interaction between them. The HR of CD and UC were 2.24 (95% CI 1.75-2.86) and 2.15 (95% CI 1.82-2.53) for those with a high genetic risk, respectively. The HR of CD and UC for individuals with an unfavorable lifestyle were 1.94 (95% CI 1.61-2.33) and 1.98 (95% CI 1.73-2.27), respectively. The HR of individuals with a high genetic risk but a favorable lifestyle (2.33, 95% CI 1.58-3.44 for CD, and 2.05, 95% CI 1.58-2.66 for UC) were reduced nearly by half, compared with those with a high genetic risk but an unfavorable lifestyle (4.40, 95% CI 2.91-6.66 for CD and 4.44, 95% CI 3.34-5.91 for UC).DISCUSSION: Genetic and lifestyle factors were independently associated with susceptibility to incident CD and UC. Adherence to a favorable lifestyle was associated with a nearly 50% lower risk of CD and UC among participants at a high genetic risk.
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6.
  • Yuan, Shuai, et al. (författare)
  • Sleep duration and daytime napping in relation to incident inflammatory bowel disease : a prospective cohort study
  • 2023
  • Ingår i: Alimentary Pharmacology and Therapeutics. - : John Wiley & Sons. - 0269-2813 .- 1365-2036. ; 57:5, s. 475-485
  • Tidskriftsartikel (refereegranskat)abstract
    • BACKGROUND: Sleep dysregulation has been linked to gastrointestinal dysfunction and inflammation.AIMS: To explore the associations between sleep duration, daytime napping and inflammatory bowel disease (IBD), Crohn's disease (CD) and ulcerative colitis (UC).METHODS: Exposure information was obtained from the baseline questionnaire. Sleep duration was coded as continuous and categorical (≤5, 6, 7, 8, ≥9 h/day) variables. Daytime napping was defined as yes (sometimes/usually) and no (never/rarely). Incident IBD cases were defined from primary care and hospital inpatient records. Polygenic risk scores (PRS) for the outcomes were constructed and categorised into low, intermediate and high risk. Hazard ratio (HR) and confidence interval (CI) were estimated using Cox proportional hazard regression.RESULTS: The analysis included 2604 incident IBD cases (806 CD and 1798 UC) with a median follow-up of 12.0 years. Comparing sleep duration ≤5 with 7 h/day, the HR of IBD, CD and UC was 1.36 (95% CI, 1.17-1.59), 1.53 (95% CI, 1.17-2.00) and 1.29 (95% CI, 1.07-1.56), respectively. Comparing participants with and without daytime napping, the HR of IBD, CD and UC was 1.13 (95% CI, 1.05-1.23), 1.25 (95% CI, 1.08-1.44) and 1.09 (95% CI, 0.90-1.20), respectively. No interaction of sleep duration and daytime napping with PRS was detected.  However, the associations appeared stronger in individuals with high rather than low PRS.CONCLUSIONS: This study reveals positive associations between short sleep duration and daytime napping and IBD risk.
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7.
  • Zhang, Man, et al. (författare)
  • Highly Efficient Room-Temperature Light-Induced Synthesis of Polymer Dots: A Programming Control Paradigm of Polymer Nanostructurization from Single-Component Precursor
  • 2023
  • Ingår i: Journal of the American Chemical Society. - : AMER CHEMICAL SOC. - 0002-7863 .- 1520-5126. ; 145:45, s. 24657-24668
  • Tidskriftsartikel (refereegranskat)abstract
    • Polymer dots (PDs) have raised considerable research interest due to their advantages of designable nanostructures, high biocompatibility, versatile photoluminescent properties, and recyclability as nanophase. However, there remains a lack of in situ, real-time, and noncontact methods for synthesizing PDs. Here we report a rational strategy to synthesize PDs through a well-designed single-component precursor (an asymmetrical donor-acceptor-donor molecular structure) by photoirradiation at ambient temperature. In contrast to thermal processes that normally lack atomic economy, our method is mild and successive, based on an aggregation-promoted sulfonimidization triggered by photoinduced delocalized intrinsic radical cations for polymerization, followed by photooxidation for termination with structural shaping to form PDs. This synthetic approach excludes any external additives, rendering a conversion rate of the precursor exceeding 99%. The prepared PDs, as a single entity, can realize the integration of nanocore luminescence and precursor-transferred luminescence, showing 41.5% of the total absolute luminescence quantum efficiency, which is higher than most reported PD cases. Based on these photoluminescent properties, together with the superior biocompatibility, a unique membrane microenvironmental biodetection could be exemplified. This strategy with programming control of the single precursor can serve as a significant step toward polymer nanomanufacturing with remote control, high-efficiency, precision, and real-time operability.
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8.
  • Zhang, Yuehui, et al. (författare)
  • Hyperandrogenism and insulin resistance contribute to hepatic steatosis and inflammation in female rat liver.
  • 2018
  • Ingår i: Oncotarget. - : Impact Journals, LLC. - 1949-2553. ; 9:26, s. 18180-18197
  • Tidskriftsartikel (refereegranskat)abstract
    • Women with polycystic ovary syndrome (PCOS) are at high risk for nonalcoholic fatty liver disease (NAFLD). While insulin resistance is a common trait for both PCOS and NAFLD, hyperandrogenism is also considered to be a key factor contributing to PCOS, and the molecular mechanisms behind the interactions between insulin resistance and hyperandrogenism in the female liver remain largely unexplored. Using chronic treatment with insulin and/or human chorionic gonadotropin (hCG), we showed that all female rats with different treatments induced imbalance between de novo lipogenesis and mitochondrial β-oxidation via the Pparα/β-Srebp1/2-Acc1 axis, resulting in varying degrees of hepatic steatosis. Given the fact that hepatic lipid metabolism and inflammation are tightly linked processes, we found that hCG-induced hyperandrogenic rats had strongly aggravated hepatic inflammation. Further mechanistic investigations revealed that dysregulation of the IRS-PI3K-Akt signaling axis that integrated aberrant inflammatory, apoptotic and autophagic responses in the liver was strongly associated with hyperandrogenism itself or combined with insulin resistance. Additionally, we found that hCG-treated and insulin+hCG-induced rats developed visceral adipose tissue inflammation characterized by the presence of "crown like" structure and increased inflammatory gene expression. Because a more pronounced hepatic steatosis, inflammatory responses, and hepatocyte cell damage were observed in insulin+hCG-induced PCOS-like rats, our finding suggest that NAFLD seen in PCOS patients is dependent of hyperandrogenism and insulin resistance.
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9.
  • Zhang, Yuehui, et al. (författare)
  • Molecular characterization of insulin resistance and glycolytic metabolism in the rat uterus.
  • 2016
  • Ingår i: Scientific reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 6
  • Tidskriftsartikel (refereegranskat)abstract
    • Peripheral insulin resistance and hyperandrogenism are the primary features of polycystic ovary syndrome (PCOS). However, how insulin resistance and hyperandrogenism affect uterine function and contribute to the pathogenesis of PCOS are open questions. We treated rats with insulin alone or in combination with human chorionic gonadotropin (hCG) and showed that peripheral insulin resistance and hyperandrogenism alter uterine morphology, cell phenotype, and cell function, especially in glandular epithelial cells. These defects are associated with an aberration in the PI3K/Akt signaling pathway that is used as an indicator for the onset of insulin resistance in classical metabolic tissues. Concomitantly, increased GSK3β (Ser-9) phosphorylation and decreased ERK1/2 phosphorylation in rats treated with insulin and hCG were also observed. We also profiled the expression of glucose transporter (Glut) isoform genes in the uterus under conditions of insulin resistance and/or hyperandrogenism. Finally, we determined the expression pattern of glycolytic enzymes and intermediates during insulin resistance and hyperandrogenism in the uterus. These findings suggest that the PI3K/Akt and MAPK/ERK signaling pathways play a role in the onset of uterine insulin resistance, and they also suggest that changes in specific Glut isoform expression and alterations to glycolytic metabolism contribute to the endometrial dysfunction observed in PCOS patients.
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10.
  • Chen, Jie, et al. (författare)
  • Antioxidants, minerals and vitamins in relation to Crohn's disease and ulcerative colitis : A Mendelian randomization study
  • 2023
  • Ingår i: Alimentary Pharmacology and Therapeutics. - : John Wiley & Sons. - 0269-2813 .- 1365-2036. ; 57:4, s. 399-408
  • Tidskriftsartikel (refereegranskat)abstract
    • BackgroundEvidence for antioxidants, minerals and vitamins in relation to the risk of Crohn's disease (CD) and ulcerative colitis (UC) is limited and inconsistent. This mendelian randomization (MR) study aimed to examine the causal associations of circulating levels of antioxidants, minerals and vitamins with CD and UC.MethodsSingle-nucleotide polymorphisms associated with antioxidants (beta-carotene, lycopene and uric acid), minerals (copper, calcium, iron, magnesium, phosphorus, zinc and selenium), and vitamins (folate, vitamins A, B6, B12, C, D, E and K1) were employed as instrumental variables. Genetic associations with CD and UC were extracted from the UK Biobank, the FinnGen study and the International Inflammatory Bowel Disease Genetics Consortium. The inverse variance weighted method and sensitivity analyses were performed.ResultsGenetically predicted higher lycopene (OR = 0.94, 95% CI: 0.91–0.97), vitamins D (OR = 0.65, 95% CI: 0.54–0.79) and K1 (OR = 0.93, 95% CI: 0.90–0.97) levels were inversely associated with CD risk, whereas genetically predicted higher magnesium (OR = 1.53, 95% CI: 1.23–1.90) levels were positively associated with CD risk. Higher levels of genetically predicted lycopene (OR = 0.91, 95% CI: 0.88–0.95), phosphorus (OR = 0.69, 95% CI: 0.58–0.82), selenium (OR = 0.91, 95% CI: 0.85–0.97), zinc (OR = 0.91, 95% CI: 0.89–0.94), folate (OR = 0.71, 95% CI: 0.56–0.92) and vitamin E (OR = 0.78, 95% CI: 0.69–0.88) were associated with reduced UC risk, whereas genetically predicted high levels of calcium (OR = 1.46, 95% CI: 1.22–1.76) and magnesium (OR = 1.24, 95% CI: 1.03–1.49) were associated with increased risk of UC.ConclusionsOur study provided evidence that circulating levels of antioxidants, minerals and vitamins might be causally linked to the development of IBD.
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11.
  • Chen, Jie, et al. (författare)
  • Therapeutic targets for inflammatory bowel disease : proteome-wide Mendelian randomization and colocalization analyses
  • 2023
  • Ingår i: EBioMedicine. - : Elsevier BV. - 2352-3964. ; 89
  • Tidskriftsartikel (refereegranskat)abstract
    • Background: Identifying new drug targets for inflammatory bowel disease (IBD) is urgently needed. The proteome is a major source of therapeutic targets. We conducted a proteome-wide Mendelian randomization (MR) and colocalization analyses to identify possible targets for IBD.Methods: Summary-level data of 4907 circulating protein levels were extracted from a large-scale protein quantitative trait loci study including 35,559 individuals. Genetic associations with IBD and its subtypes were obtained from the Inflammatory Bowel Disease Genetics Consortium (25,024 cases and 34,915 controls), the FinnGen study (7206 cases and 253,199 controls), and the UK Biobank study (7045 cases and 449,282 controls). MR analysis was conducted to estimate the associations between protein and IBD risk. The colocalization analysis was used to examine whether the identified proteins and IBD shared casual variants.Findings: Genetically predicted levels of 3, and 5 circulating proteins were associated with IBD and ulcerative colitis (UC), respectively. With high supporting evidence of colocalization, genetically predicted MST1 (macrophage stim-ulating 1) and HGFAC (hepatocyte growth factor activator) levels were inversely associated with IBD risks. The as-sociations of STAT3 (signal transducer and activator of transcription 3), MST1, CXCL5 (C-X-C motif chemokine ligand 5), and ITPKA (inositol-trisphosphate 3-kinase A) with the risk of UC were supported by colocalization analysis.Interpretation: The proteome-wide MR investigation identified many proteins associated with the risk of IBD. MST1, HGFAC, STAT3, ITPKA, and CXCL5 deserve further investigation as potential therapeutic targets for IBD. 2023;89: Published https://doi.org/10. 1016/j.ebiom.2023. 104494
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12.
  • Chen, Yifeng, et al. (författare)
  • CO2 separation using a hybrid choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water absorbent
  • 2020
  • Ingår i: Applied Energy. - : Elsevier. - 0306-2619 .- 1872-9118. ; 257
  • Tidskriftsartikel (refereegranskat)abstract
    • Developing novel hybrid absorbents is essential for CO2 separation. In this study, the density and viscosity of a hybrid absorbent (choline-2-pyrrolidine-carboxylic acid/polyethylene glycol/water ([Cho][Pro]/PEG200/H2O)) were measured experimentally, and its CO2 solubility was also determined. The excess mole volume and excess Gibbs energy of activation of the hybrid absorbent were further estimated to understand the molecular structure and interactions between [Cho][Pro]/PEG200 and H2O. The CO2 solubilities in [Cho][Pro]/PEG200 and [Cho][Pro]/H2O were analyzed and described using the Redlich–Kwong non-random-two-liquid (RK-NRTL) model. Furthermore, the CO2 solubility in the hybrid absorbent was predicted using the RK-NRTL model and was compared with the new experimental results for verification. The effect of H2O on the CO2 absorption performance was further analyzed. The performance and cost of the hybrid absorbent were compared with those of other commercialized CO2 absorbents. In addition, the recyclability of the hybrid absorbent for CO2 separation was studied. The results of this study indicated that the hybrid absorbent could be promising for CO2 separation.
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13.
  • Chen, Yifeng, et al. (författare)
  • Developing aqueous porous carbons for biogas upgrading
  • 2024
  • Ingår i: Separation and Purification Technology. - : Elsevier B.V.. - 1383-5866 .- 1873-3794. ; 329
  • Tidskriftsartikel (refereegranskat)abstract
    • Developing novel sorbents is essential for biogas upgrading. In this study, mixed sorbents of aqueous porous carbons were developed to separate CO2 from the biogas, where the porous carbon with the developed micropore structure was identified as the most desirable constituent. Both thermodynamics and kinetics were studied experimentally, and Henry’s constant (KH) and the liquid-side mass-transfer coefficient (kL) of CO2 in the mixed sorbent as well as the selectivity of CO2/CH4 were obtained accordingly. Furthermore, the CO2 separation performance was evaluated with a proposed index, and the cost of biogas upgrading using the mixed sorbent was estimated and compared. The results showed that the porous carbon with the developed micropore structure led to better performance on KH and kL of CO2 in the mixed sorbent, and the mixed sorbent with 3.03 wt% porous carbon exhibited the best CO2 separation performance, reducing 36.2 % in cost compared to the current technologies.
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14.
  • Chen, Yifeng, et al. (författare)
  • Kinetics study and performance evaluation of a hybrid choline-glycine/polyethylene glycol/water absorbent for CO2 separation
  • 2023
  • Ingår i: Separation and Purification Technology. - : Elsevier B.V.. - 1383-5866 .- 1873-3794. ; 304
  • Tidskriftsartikel (refereegranskat)abstract
    • Thermodynamic and kinetic properties of absorbents are beneficial in evaluating their CO2 separation performance. In this study, the kinetic properties of CO2 in a hybrid choline-glycine/polyethylene glycol/water absorbent, including the liquid-side mass-transfer coefficient, enhancement factor, and reaction rate constant, were systematically determined through experimental measurements and data processing. Furthermore, an index referred to as “absorbility” was proposed to combine the kinetic properties determined in this study with the thermodynamic properties obtained in our previous study to evaluate the CO2 separation performance. Additionally, the regeneration performance of the hybrid absorbent was also conducted. The results show that the performance of the hybrid absorbent (30 wt% [Cho][Gly] + 10 wt% PEG200 + 60 wt% H2O) is comparable to that of aqueous monoethanolamine, and is thus promising for CO2 separation, considering its low regeneration temperature and low environmental impact.
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15.
  • Christensen, Kirsten E, et al. (författare)
  • A germanate built from 68126 cavity co-templated by a (H2O)16 water cluster and 2-methylpiperazine
  • 2008
  • Ingår i: Angewandte Chemie International Edition. - : Wiley. - 1433-7851 .- 1521-3773. ; 47:41, s. 7868-7871
  • Tidskriftsartikel (refereegranskat)abstract
    • Totally tubular: A new tubular germanate is cotemplated by 2-methylpiperazine and an (H2O)16 cluster in a hydro(solvo)thermal synthesis. The germanate features a large, highly symmetric 68126 cavity (see picture; yellow sphere) built from 12 Ge7X19 (X=O, OH, F) clusters (GeX6 red, GeX5 yellow, GeX4 green).
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16.
  • Dai, Zhengxing, et al. (författare)
  • Screening ionic liquids for developing advanced immobilization technology for CO2 separation
  • 2022
  • Ingår i: Frontiers in Chemistry. - : Frontiers Media S.A.. - 2296-2646. ; 10
  • Tidskriftsartikel (refereegranskat)abstract
    • Developing immobilized-ionic liquids (ILs) sorbents is important for CO2 separation, and prior theoretically screening ILs is desirable considering the huge number of ILs. In this study, the compressibility of ILs was proposed as a new and additional index for screening ILs, and the developed predictive theoretical model, i.e., electrolyte perturbed-chain statistical associating fluid theory, was used to predict the properties for a wide variety of ILs in a wide temperature and pressure range to provide systematic data. In screening, firstly, the isothermal compressibilities of 272 ILs were predicted at pressures ranging from 1 to 6,000 bar and temperatures ranging from 298.15 to 323.15 K, and then 30 ILs were initially screened. Subsequently, the CO2 absorption capacities in these 30 ILs at temperatures from 298.15 to 323.15 K and pressures up to 50 bar were predicted, and 7 ILs were identified. In addition, the CO2 desorption enthalpies in these 7 ILs were estimated for further consideration. The performance of one of the screened ILs was verified with the data determined experimentally, evidencing that the screen is reasonable, and the consideration of IL-compressibility is essential when screening ILs for the immobilized-IL sorbents.
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18.
  • Ding, Jiangwei, et al. (författare)
  • All Roads Lead to Rome? : Genes Causing Dravet Syndrome and Dravet Syndrome-Like Phenotypes
  • 2022
  • Ingår i: Frontiers in Neurology. - : Frontiers Media S.A.. - 1664-2295. ; 13
  • Forskningsöversikt (refereegranskat)abstract
    • Background: Dravet syndrome (DS) is a severe epileptic encephalopathy mainly caused by haploinsufficiency of the gene SCN1A, which encodes the voltage-gated sodium channel NaV1. 1 in the brain. While SCN1A mutations are known to be the primary cause of DS, other genes that may cause DS are poorly understood. Several genes with pathogenic mutations result in DS or DS-like phenotypes, which may require different drug treatment approaches. Therefore, it is urgent for clinicians, especially epilepsy specialists to fully understand these genes involved in DS in addition to SCN1A. Particularly for healthcare providers, a deep understanding of these pathogenic genes is useful in properly selecting and adjusting drugs in a more effective and timely manner.Objective: The purpose of this study was to identify genes other than SCN1A that may also cause DS or DS-like phenotypes. Methods: A comprehensive search of relevant Dravet syndrome and severe myoclonic epilepsy in infancy was performed in PubMed, until December 1, 2021. Two independent authors performed the screening for potentially eligible studies. Disagreements were decided by a third, more professional researcher or by all three. The results reported by each study were narratively summarized.Results: A PubMed search yielded 5,064 items, and other sources search 12 records. A total of 29 studies published between 2009 and 2021 met the inclusion criteria. Regarding the included articles, seven studies on PCDH19, three on SCN2A, two on SCN8A, five on SCN1B, two on GABRA1, three on GABRB3, three on GABRG2, and three on STXBP1 were included. Only one study was recorded for CHD2, CPLX1, HCN1 and KCNA2, respectively. It is worth noting that a few articles reported on more than one epilepsy gene.Conclusion: DS is not only identified in variants of SCN1A, but other genes such as PCDH19, SCN2A, SCN8A, SCN1B, GABRA1, GABRB3, GABRG2, KCNA2, CHD2, CPLX1, HCN1A, STXBP1 can also be involved in DS or DS-like phenotypes. As genetic testing becomes more widely available, more genes associated with DS and DS-like phenotypes may be identified and gene-based diagnosis of subtypes of phenotypes in this spectrum may improve the management of these diseases in the future.
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19.
  • Dong, Mei, et al. (författare)
  • Cold Exposure Promotes Atherosclerotic Plaque Growth and Instability via UCP1-Dependent Lipolysis
  • 2013
  • Ingår i: Cell Metabolism. - : Elsevier (Cell Press). - 1550-4131 .- 1932-7420. ; 18:1, s. 118-129
  • Tidskriftsartikel (refereegranskat)abstract
    • Molecular mechanisms underlying the cold-associated high cardiovascular risk remain unknown. Here, we show that the cold-triggered food-intake-independent lipolysis significantly increased plasma levels of small low-density lipoprotein (LDL) remnants, leading to accelerated development of atherosclerotic lesions in mice. In two genetic mouse knockout models (apolipoprotein E-/- [ApoE(-/-)] and LDL receptor(-/-) [Ldlr(-/-)] mice), persistent cold exposure stimulated atherosclerotic plaque growth by increasing lipid deposition. Furthermore, marked increase of inflammatory cells and plaque-associated microvessels were detected in the cold-acclimated ApoE(-/-) and Ldlr(-/-) mice, leading to plaque instability. Deletion of uncoupling protein 1 (UCP1), a key mitochondrial protein involved in thermogenesis in brown adipose tissue (BAT), in the ApoE(-/-) strain completely protected mice from the cold-induced atherosclerotic lesions. Cold acclimation markedly reduced plasma levels of adiponectin, and systemic delivery of adiponectin protected ApoE(-/-) mice from plaque development. These findings provide mechanistic insights on low-temperature-associated cardiovascular risks.
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20.
  • Liu, Yanrong, et al. (författare)
  • Screening Deep Eutectic Solvents for CO2 Capture With COSMO-RS
  • 2020
  • Ingår i: Frontiers in Chemistry. - : Frontiers Media S.A.. - 2296-2646. ; 8:82
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, 502 experimental data for CO2 solubilities and 132 for Henry’s constantsof CO2 in DESs were comprehensively summarized from literatures and used for furtherverification and development of COSMO-RS. Large systematic deviations of 62.2, 59.6,63.0, and 59.1% for the logarithmic CO2 solubilities in the DESs (1:2, 1:3, 1:4, 1:5),respectively, were observed for the prediction with the original COSMO-RS, while thepredicted Henry’s constants of CO2 in the DESs (1:1.5, 1:2, 1:3, 1:4, 1:5) at temperaturesranging of 293.15–333.15 K are more accurate than the predicted CO2 solubility withthe original COSMO-RS. To improve the performance of COSMO-RS, 502 data pointsof CO2 solubility in the DESs (1:2, 1:3, 1:4, 1:5) were used for correcting COSMO-RSwith a temperature-pressure dependent parameter, and the CO2 solubility in the DES(1:6) was predicted to further verify the performance of the corrected model. The resultsindicate that the corrected COSMO-RS can significantly improve the model performancewith the ARDs decreasing down to 6.5, 4.8, 6.5, and 4.5% for the DESs (1:2, 1:3, 1:4, and 1:5), respectively, and the corrected COSMO-RS with the universal parameters can beused to predict the CO2 solubility in DESs with different mole ratios, for example, for theDES (1:6), the corrected COSMO-RS significantly improves the prediction with an ARD of10.3% that is much lower than 78.2% provided by the original COSMO-RS. Additionally,the result from COSMO-RS shows that the σ-profiles can reflect the strength of molecularinteractions between an HBA (or HBD) and CO2, determining the CO2 solubility, and thedominant interactions for CO2 capture in DESs are the H-bond and Van der Waals force,followed by the misfit based on the analysis of the predicted excess enthalpies.
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21.
  • Ma, Chunyan, et al. (författare)
  • Thermodynamic study of imidazolium halide ionic liquid–water binary systems using excess Gibbs free energy models
  • 2023
  • Ingår i: Journal of Molecular Liquids. - : Elsevier. - 0167-7322 .- 1873-3166. ; 391, Part B
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, the excess Gibbs free energy models, i.e., non-random two-liquid (NRTL) model and electrolyte NRTL model, including the original one and those with new strategies (association or hydration), were used to describe the macroscopic properties and interpret the microstructure of ionic liquid (IL) - H2O binary systems, clarifying the role of IL association and ion hydration in model development. To provide systematic data for model development, the enthalpy of mixing of three imidazolium-based IL-H2O systems containing the same cation but different sizes of anions, i.e., Cl−, Br−, and I−, were measured. The models were developed and evaluated based on the newly measured data and the osmotic coefficient from the literature. The results reveal that the model reflecting the intrinsic mechanism of dissociation and hydration gives the best modeling results; and the ionic strength and the degree of IL dissociation as a function of water content can be predicted using the newly established model. The study clarifies the significance of IL association and anion hydration in model development and quantitatively demonstrates how water content influences the microstructure and real species in IL-H2O systems.
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22.
  • Ruan, Xixian, et al. (författare)
  • Depression and 24 gastrointestinal diseases : a Mendelian randomization study
  • 2023
  • Ingår i: Translational Psychiatry. - : Springer Nature. - 2158-3188. ; 13
  • Tidskriftsartikel (refereegranskat)abstract
    • The causality of the association between depression and gastrointestinal diseases is undetermined. We conducted Mendelian randomization (MR) analyses to systematically explore the associations of depression with 24 gastrointestinal diseases. Independent genetic variants associated with depression at the genome-wide significance level were selected as instrumental variables. Genetic associations with 24 gastrointestinal diseases were obtained from the UK Biobank study, the FinnGen study, and large consortia. Multivariable MR analysis was conducted to explore the mediation effects of body mass index, cigarette smoking, and type 2 diabetes. After multiple-testing corrections, genetic liability to depression was associated with an increased risk of irritable bowel syndrome, non-alcohol fatty liver disease, alcoholic liver disease, gastroesophageal reflux, chronic pancreatitis, duodenal ulcer, chronic gastritis, gastric ulcer, diverticular disease, cholelithiasis, acute pancreatitis, and ulcerative colitis. For the causal effect of genetic liability to depression on non-alcoholic fatty liver disease, a substantial proportion was mediated by body mass index. Genetic predisposition to smoking initiation mediated half of effect of depression on acute pancreatitis. This MR study suggests that depression may play a causal role in many gastrointestinal diseases.
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23.
  • Sandhow, Lakshmi, et al. (författare)
  • Skin mesenchymal niches maintain and protect AML-initiating stem cells
  • 2023
  • Ingår i: Journal of Experimental Medicine. - 0022-1007 .- 1540-9538. ; 220:10
  • Tidskriftsartikel (refereegranskat)abstract
    • Leukemia cutis or leukemic cell infiltration in skin is one of the common extramedullary manifestations of acute myeloid leukemia (AML) and signifies a poorer prognosis. However, its pathogenesis and maintenance remain understudied. Here, we report massive AML cell infiltration in the skin in a transplantation-induced MLL-AF9 AML mouse model. These AML cells could regenerate AML after transplantation. Prospective niche characterization revealed that skin harbored mesenchymal progenitor cells (MPCs) with a similar phenotype as BM mesenchymal stem cells. These skin MPCs protected AML-initiating stem cells (LSCs) from chemotherapy in vitro partially via mitochondrial transfer. Furthermore, Lama4 deletion in skin MPCs promoted AML LSC proliferation and chemoresistance. Importantly, more chemoresistant AML LSCs appeared to be retained in Lama4−/− mouse skin after cytarabine treatment. Our study reveals the characteristics and previously unrecognized roles of skin mesenchymal niches in maintaining and protecting AML LSCs during chemotherapy, meriting future exploration of their impact on AML relapse.
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24.
  • Shen, Gulou, et al. (författare)
  • Interfacial structure and differential capacitance of ionic liquid/graphite interface : A perturbed-chain SAFT density functional theory study
  • 2020
  • Ingår i: Journal of Molecular Liquids. - : Elsevier. - 0167-7322 .- 1873-3166. ; 310
  • Tidskriftsartikel (refereegranskat)abstract
    • The perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) was combined with the electrostatic free energy from the mean spherical approximation (MSA) theory, and applied to represent densities of pure imidazolium ionic liquids (ILs) with anion [BF4]−. The PC-SAFT parameters of cations were linearized with their molar mass and obtained by simultaneously fitting the model predictions to experimental densities of some ILs. The PC-SAFT-MSA model provides accurate correlations and predictions of densities comparing with experimental data. Then a classical density functional theory (DFT) was developed based on PC-SAFT-MSA. The DFT model was applied to explore the structure and differential capacitance of the electrical double layer (EDL) in ILs on graphite. The model predicts similar density profiles for both cation and anion on a neutral surface, and layered structure with alternating layers of cations and anions on a charged surface. The charge inversion phenomena were also studied based on ion distributions. We further studied the effects of the alkyl chain length, temperature and non-electrostatic solid-fluid interactions on the differential capacitance of the EDL. The model provides bell-shaped differential capacitance curves. The peak positions of differential capacitance curves shift toward positive potentials as ions size asymmetry increases in agreement with previous experiments and simulations studies. The maximum capacitance decreases with increasing alkyl chain length as well as increasing temperature.
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25.
  • Sun, Hao, et al. (författare)
  • Engineering Tunable Ratiometric Dual Emission in Single Emitter-based Amorphous Systems
  • 2024
  • Ingår i: Angewandte Chemie International Edition. - : WILEY-V C H VERLAG GMBH. - 1433-7851 .- 1521-3773.
  • Tidskriftsartikel (refereegranskat)abstract
    • Molecular emitters with multi-emissive properties are in high demand in numerous fields, while these properties basically depend on specific molecular conformation and packing. For amorphous systems, special molecular arrangement is unnecessary, but it remains challenging to achieve such luminescent behaviors. Herein, we present a general strategy that takes advantage of molecular rigidity and S1-T1 energy gap balance for emitter design, which enables fluorescence-phosphorescence dual-emission properties in various solid forms, whether crystalline or amorphous. Subsequently, the amorphism of the emitters based polymethyl methacrylate films endowed an in situ regulation of the dual-emissive characteristics. With the ratiometric regulation of phosphorescence by external stimuli and stable fluorescence as internal reference, highly controllable luminescent color tuning (yellow to blue including white emission) was achieved. There properties together with a persistent luminous behavior is of benefit for an irreplaceable set of optical information combination, featuring an ultrahigh-security anti-counterfeiting ability. Our research introduces a concept of eliminating the crystal-form and molecular-conformational dependence of complex luminescent properties through emitter molecular design. This has profound implications for the development of functional materials. A molecular structural strategy enabling single emitter based dual-emission properties in various solid forms is presented. The developed amorphous films endow in situ regulation of the dual-emissive characteristics to show highly controllable multiple luminescent color tuning (yellow to blue including white emission), which benefits to the construction of an irreplaceable set of optical information combination.image
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26.
  • Sun, Xiaoyan, et al. (författare)
  • A cubic DNA nanocage probe for in situ analysis of miRNA-10b in tumor-derived extracellular vesicles
  • 2024
  • Ingår i: Chemical Communications. - 1364-548X. ; 60, s. 4777-4780
  • Tidskriftsartikel (refereegranskat)abstract
    • A cubic DNA nanocage probe is able to enter EVs derived from MDA-MB-231 cells and react with miRNA-10b. The probe-loaded EVs were employed to monitor the process of entry of miRNA-10b into MCF-10A cells, allowing visualization of EV-mediated intercellular communication of miRNA-10b between the cancer cells.
  •  
27.
  • Sun, Xiaoyan, et al. (författare)
  • APOE ε4 carriers may undergo synaptic damage conferring risk ofAlzheimer's disease.
  • 2016
  • Ingår i: Alzheimer's & dementia : the journal of the Alzheimer's Association. - : Wiley. - 1552-5279. ; 12:11, s. 1159-1166
  • Tidskriftsartikel (refereegranskat)abstract
    • Pathogenesis of Alzheimer's disease (AD) in apolipoprotein E ε4 (APOE ε4) carriers remains unclear. We hypothesize that APOE isoforms have differential effects on synaptic function.
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28.
  • Sun, Xiaoyan, et al. (författare)
  • Association of neurogranin gene expression with Alzheimer's disease pathology in the perirhinal cortex.
  • 2021
  • Ingår i: Alzheimer's & dementia (New York, N. Y.). - : Wiley. - 2352-8737. ; 7:1
  • Tidskriftsartikel (refereegranskat)abstract
    • Synaptic damage is a key pathology of Alzheimer's disease (AD). The mechanism underlying synaptic vulnerability in AD remains elusive.Using a large-scale transcriptomic dataset, we analyzed the neurogranin-centered integrative gene network and assessed the correlation of neurogranin (NRGN) gene expression with AD pathology in post mortem brains. We studied the association of NRGN expression with Clinical Dementia Rating (CDR) and neuropathological diagnosis of AD.We find that the genes positively correlated with NRGN expression in AD are involved in synaptic transmission and cation channel pathways. NRGN expression is correlated with amyloid and tau pathology in the perirhinal cortex of post mortem brains. NRGN expression is associated with the diagnosis of AD and correlated with CDR.Transcriptional regulation of the gene encoding for synaptic protein is involved in selective synaptic damage in AD. Identifying the genes associated with synaptic damage pathways in AD may provide targets for intervention.
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29.
  • Sun, Yunhao, et al. (författare)
  • Accelerate the Electrolyte Perturbed-Chain Statistical Associating Fluid Theory-Density Functional Theory Calculation With the Chebyshev Pseudo-Spectral Collocation Method. Part II. Spherical Geometry and Anderson Mixing
  • 2022
  • Ingår i: Frontiers in Chemistry. - : Frontiers Media SA. - 2296-2646. ; 9
  • Tidskriftsartikel (refereegranskat)abstract
    • To improve the efficiency of electrolyte perturbed-chain statistical associatingfluidtheory–density functional theory (ePC-SAFT-DFT) calculation of the confined system, inthis work,first, the Chebyshev pseudo-spectral collocation method was extended to thespherical pores. Second, it was combined with the Anderson mixing algorithm toaccelerate the iterative process. The results show that the Anderson mixing algorithmcan reduce the computation time significantly. Finally, based on the accelerated ePC-SAFT-DFT program, a systematic study of the effects of the temperature, pressure, poresize, and pore shape on the CO2solubilities in the ionic liquids (ILs) confined inside the silicananopores was conducted. Based on the simulation results, to obtain high CO2solubilitiesin the ILs confined in silica, a better option is to use the silica material with a narrowspherical pore, and the IL-anion should be selected specifically considering that it has amore significant impact on the absorption enhancement effect.
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30.
  • Sun, Yunhao, et al. (författare)
  • Accelerate the ePC-SAFT-DFT Calculation with the Chebyshev Pseudospectral Collocation Method
  • 2021
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 60:25, s. 9269-9285
  • Tidskriftsartikel (refereegranskat)abstract
    • ePC-SAFT-DFT is a powerful tool for studying the properties of confined ionic liquids for CO2 separation, in which efficient algorithms are required to obtain the calculation efficiently. In this work, the feasibility of accelerating the ePC-SAFT-DFT calculation with the Chebyshev pseudo-spectral collocation method was discussed for the confined ionic liquid (IL)–CO2 systems. In addition, a general scheme was proposed to search the electrical boundary potential. The new algorithm was further combined with the general scheme to model the confined IL–CO2 systems. It was found that the Chebyshev pseudo-spectral collocation method can improve the efficiency of the ePC-SAFT-DFT calculation significantly. Moreover, the new algorithm can be further combined with the general scheme to efficiently describe the density profile of the IL–CO2 system inside the electroneutral nanopores.
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31.
  • Sun, Yunhao, et al. (författare)
  • Analysis of Vapor-Liquid Interfacial Transport Resistivities with DGT-PC-SAFT Based on the General Approach
  • 2022
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society. - 0888-5885 .- 1520-5045. ; 61:43, s. 16352-16367
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, the DGT-PC-SAFT model was applied to calculate the interfacial transport resistivities between the vapor-liquid interface. In order to calculate the interfacial transport resistivities with DGT-PC-SAFT stably and efficiently, the general approach was combined with the Chebyshev spectral collocation method to solve the density profile using density gradient theory (DGT). Investigations have shown that using a suitable conformal map in the Chebyshev spectral collocation method can significantly reduce the collocation points required for the calculation of interfacial transport resistivities. Based on the developed algorithm, interfacial transport resistivities of n-alkane/nitrogen mixtures were predicted. However, the results revealed a certain deviation compared with those calculated with DFT-PC-SAFT, and the reason for this is discussed in this paper.
  •  
32.
  • Sun, Yunhao, et al. (författare)
  • How to Detect Possible Pitfalls in ePC-SAFT Modeling. 2. Extension to Binary Mixtures of 96 Ionic Liquids with CO2, H2S, CO, O2, CH4, N2, and H2
  • 2020
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 59:49, s. 21579-21591
  • Tidskriftsartikel (refereegranskat)abstract
    • The occurrence of numerical pitfalls has been pointed out for the models of equation of state, including the statistical associating fluid theory (SAFT)-based. Following our previous work on pure ILs when modeling with ePC-SAFT, this work extended the research to the IL–gas mixtures, in which the associating term was derived for predicting the critical point with PC-SAFT, and a scheme for detecting a pitfall in IL–gas mixtures was developed. Then, the scheme was applied to detect the pitfall occurrence in IL–gas (gas = CO2, H2S, CO, O2, CH4, N2, and H2) systems, which are commonly encountered in developing IL-based CO2 separation technologies. It shows that a pitfall occurs only in [C8mpy][BF4]–gas (CO2, H2S, CO, O2, CH4, N2, and H2) among all ILs considered in the temperature and pressure range of interest.
  •  
33.
  • Sun, Yunhao, et al. (författare)
  • How to detect possible pitfalls in ePC-SAFT modelling : Extension to ionic liquids
  • 2020
  • Ingår i: Fluid Phase Equilibria. - : Elsevier. - 0378-3812 .- 1879-0224. ; 519
  • Tidskriftsartikel (refereegranskat)abstract
    • An ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) has been developed to describe the thermodynamic and transport properties of ionic liquids (ILs) for developing IL-based technologies to separate CO2 from gas mixtures. However, as it has been pointed out previously, SAFT-based models can lead to a pitfall, manifesting as an additional fictitious liquid-liquid critical line connected to an additional mechanically stable critical point when modeling pure substances. In this work, a method for detecting a pitfall in ILs was developed, where an expression with ionic term for calculating the critical point with ePC-SAFT was derived and an algorithm for detecting the additional fictitious phase equilibrium for ILs was proposed. The pitfall occurrence for an extended set ILs taken from our previous work was investigated. It shows that a pitfall occurs only for one single IL among all 96 ILs in the temperature and pressure range of interest. For [C8mpy][BF4], at 290.27–291.78 K, a pitfall may occur at the pressures of interest; at 273.15–290.20 K, it may occur at any given pressure. The ion-specific ePC-SAFT parameters for [C8mpy]+ may therefore need to be modified in the future when more reliable experimental results are available for parameter fitting.
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34.
  • Sun, Yunhao, et al. (författare)
  • Modeling interfacial properties of ionic liquids with ePC-SAFT combined with density gradient theory
  • 2021
  • Ingår i: Fluid Phase Equilibria. - : Elsevier. - 0378-3812 .- 1879-0224. ; 536
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, ePC-SAFT-DGT (i.e., the coupling of ePC-SAFT with the density gradient theory (DGT)) was further developed by modifying the expression for estimating the chemical potential of IL ion-pair and extended to study the interfacial properties of 82 ionic liquids (ILs) containing one of the IL-cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and one of the IL-anions ([Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl−, [Ac]−, and Br−). The available experimental surface tensions for these 82 ILs from the literature have been surveyed and evaluated for adjusting the model parameters before the investigation. It shows that the modification results in more reasonable magnitude of influence parameters and ePC-SAFT-DGT can be used to represent the surface tension of ILs reliably compared with the experimental data. Furthermore, using the anion-specific influence parameters that are linearized with the molecular weight of the IL-cations for a homologous series of ILs allows semi-predicting (i.e., parameters obtained by interpolation and extrapolation) the surface tension for the ILs in the same homologous series. ePC-SAFT-DGT can be further used to predict other interfacial properties, for example, the density profile and interfacial thickness in the vapor-liquid interface.
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35.
  • Sun, Yunhao, et al. (författare)
  • Modeling Interfacial Properties with Spot-DGT-ePC-SAFT for Binary Mixtures Including Ionic Liquid-Based Systems
  • 2021
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 60:11, s. 4484-4497
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, spot-density gradient theory (DGT), with an approximate density profile in the vapor–liquid interfacial phase, was combined with ePC-soft-statistical associating fluid theory (SAFT) to describe the interfacial properties of binary mixtures. The developed model, which is termed as spot-DGT-ePC-SAFT, was first used for the mixtures containing common substances (e.g., alkane, benzene, CO2) to verify the model and compare the model performance with the rigorous DGT models. It shows that the surface tensions predicted with spot-DGT-ePC-SAFT are almost the same as those with the rigorous DGT, while spot-DGT costs much less calculation time. The developed spot-DGT-ePC-SAFT was further extended to ionic liquid (IL)–IL and IL–CO2 systems. Again, the predicted surface tensions agree well with the experimental data, indicating the reliability of the developed model for the IL-based systems.
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36.
  • Sun, Yunhao (författare)
  • Modeling ionic liquids with ePC-SAFT ─ properties and gas solubilities
  • 2020
  • Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Global warming is now widely recognized as being the biggest global issue facing human beings. Mitigating CO2 emission from fossil-fueled power plants as well as from transports has become an urgent and worldwide research topic, in which CO2 separation is often needed. Technologies have been developed and commercialized, whereas the cost is still high. Developing new technologies for CO2 separation is one focus research area. Ionic liquids (ILs) are promising absorbents for CO2 separation due to their very low vapor pressure, high solubility and selectivity for CO2 as well as low energy usage for solvent regeneration. To develop IL-based technologies, thermodynamic properties (density, heat capacity, gas solubility, etc.), viscosity, and surface tension of ILs are the prerequisites. As the number of ILs that can be theoretically synthesized is up to an order of 1018, determining all the properties experimentally is impractical, not to mention the time-consuming with high cost. It is desirable to develop theoretical tools to predict the thermodynamics and transport properties of ILs and IL-containing mixtures in a wide temperature and pressure range. In our previous work, the framework of ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) has been developed with reliable results. However, the work is still limited to the imidazolium-based ILs, and the model performance for other commonly used ILs is still unclear. Meanwhile, it has been pointed out that the model with the parameters fitted to the experimental data may result in pitfalls, and further validation is needed. In this thesis, the ion-specific ePC-SAFT was further developed and extended to the ILs which are composed of the IL-cations ([Cnmim]+ , [Cnpy]+ , [Cnmpy] + , [Cnmpyr]+ , and [THTDP]+ ) and the IL-anions ([Tf2N]- , [PF6] - , [BF4] - , [tfo]- , [DCA]- , [SCN]- , [C1SO4] - , [C2SO4] - , [eFAP]- , Cl- , [Ac]- , and Br- ). Before modeling the properties, a method and scheme were developed to investigate the pitfall when modeling IL with ePC-SAFT. All 96 ILs considered in the thesis were covered. The investigation shows that for most ILs (86 of 96 ILs), the additional fictitious critical temperature is low enough not to affect the calculations at a normal temperature range, and after further phase equilibrium calculation, only one IL ([C8mpy][BF4]) may generate a risk of pitfall occurrence at the temperature and pressure of interest for CO2 separation. The parameters for [Cnmpy]+ may need to be modified in future work. The prediction of the derivative properties (isobaric heat capacity, isochoric heat capacity, speed of sound, isentropic compressibility coefficient, isothermal compressibility coefficient, thermal expansion coefficient, thermal pressure coefficient, and internal pressure) combined with the comparison to the available experimental data shows that ePC-SAFT can provide reliable results for most ILs. ePC-SAFT was used to predict the CO2 solubilities in 46 ILs, and the prediction agrees well with the experimental data in a wide temperature and pressure range for 36 ILs. The addition of an ion-specific binary ii parameter between IL-ion and CO2 can further improve the model performance significantly for the 10 ILs with relatively poor model performance. ePC-SAFT can also provide a reliable prediction for the solubility of other pure gases (CH4, CO, H2, N2, and O2). To further verify the model performance on the viscosity of ILs, ePC-SAFT coupled with the free volume theory (FVT) (i.e., ePC-SAFT-FVT) was studied. Two strategies were applied to adjust the FVT parameters, i.e., molecular-based approach with parameters for each IL (strategy 1) and IL-cation molecular-weight linearized parameters for the ILs in the same homologous series (strategy 2). The comparison with the available experimental viscosities for 96 ILs shows that the strategy 1 can provide reliable results for 89 ILs in a wide temperature and pressure range, while strategy 2 can provide almost similar reliable results as strategy 1. ePC-SAFT-FVT can be further used to predict the viscosity of ILmixtures reliably. The model ePC-SAFT-DGT, i.e., the coupling of ePC-SAFT with the density gradient theory (DGT), was further developed and used to model the interfacial properties of ILs. The comparison with the available experimental surface tensions for 82 ILs shows that the model can represent the surface tension reliably, and the use of the anion-specific influence parameters linearized with the molecular weights of IL-cations allows predicting the surface tension of the ILs in the same homologous series. The density profile on the vaporliquid interface can be further predicted with the influence parameter adjusted by the surface tension. In summary, the ion-specific ePC-SAFT is a suitable tool for IL-systems, which can be highly recommended to be applied in industrial design and optimization.
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37.
  • Sun, Yunhao (författare)
  • Modeling ionic liquids with ePC-SAFT - properties and gas solubilities
  • 2021
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Global warming is now widely recognized as being the most significant global issue facing human beings. Mitigating CO2 emission from fossil-fueled power plants as well as from transports has become an urgent and worldwide research topic, in which CO2 separation is often needed. Technologies have been developed and commercialized, whereas the cost is still high. Developing new technologies for CO2 separation is one focus research area. Ionic liquids (ILs) are promising absorbents for CO2 separation due to their very low vapor pressure, high solubility and selectivity for CO2 as well as low energy usage for solvent regeneration.  A drawback of using IL for CO2 separation is the high viscosities, and using supported ILs has been proposed as a promising solution. This can take advantage of the high selectivity of gas in ILs, and also the high surface area of materials can reduce the impact of viscosity, improve the gas transfer, and hence increase the absorption rate. To develop IL-based technologies, thermodynamic properties (density, heat capacity, gas solubility, etc.), viscosity, and surface tension of ILs as well as the thermodynamic properties for confined ILs are the prerequisites. As the number of ILs that can be theoretically synthesized is up to an order of 1018, determining all the properties experimentally is impractical, not to mention the time-consuming with high cost. It is desirable to develop theoretical tools to predict the thermodynamic and transport properties of ILs and IL-containing mixtures in a wide temperature and pressure range.  In our previous work, the framework of ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) has been developed with reliable results. The developed ePC-SAFT model was further combined with Free Volume Theory (ePC-SAFT-FVT) and Density Gradient Theory (ePC-SAFT-DGT or DGT-ePC-SAFT) to represent the viscosity and surface tension of ILs, respectively.  However, the work is limited to the imidazolium-based ILs, and the model performance for other commonly used ILs is still unclear. It has been pointed out that the model with the parameters fitted to the experimental data may result in pitfalls, and further validation is needed. Meanwhile, DGT-ePC-SAFT for pure ILs needs to be further developed to be consistent with the ion-specific ePC-SAFT model and extended to IL-mixtures. To describe the properties of confined ILs, in our previous work, ePC-SAFT model was combined with DFT (classical Density Functional Theory) (i.e., ePC-SAFT-DFT) to describe the properties of the IL and CO2/IL confined in nanopores. Still, the algorithm based on equal mesh width leads to intensive computations, making it inefficient.  In this thesis, these ion-specific ePC-SAFT-based models were further developed and extended to the systems containing the ILs which are composed of the IL-cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and the IL-anions ([Tf2N]-,[PF6]-, [BF4]-, [tfo]-, [DCA]-, [SCN]-, [C1SO4]-, [C2SO4]-, [eFAP]-, Cl-, [Ac]-, and Br-).Before modeling the properties, a method and scheme were developed to investigate the pitfall when modeling IL and IL-gas systems with ePC-SAFT. All 96 ILs considered in the thesis and their binary mixtures with CO2, H2S, CO, O2, CH4, N2, and H2 were covered. The results show that ePC-SAFT with the density-fitted parameters is virtually free of the undesired pitfall for almost all ILs with only one exemption ([C8mpy][BF4]) and the parameters for [Cnmpy]+ may need to be modified in future work.Afterward, ePC-SAFT was used to predict gas solubilities and second-order thermodynamic properties, such as heat capacities, isothermal and isentropic compressibilities, speeds of sound, thermal expansion coefficients, and internal pressures. The model predictions were evaluated by comparing with the experimental data, showing reliable results.  ePC-SAFT-FVT was used to model the viscosities of ILs and IL-mixtures and compared with the available experimental data. It shows the model can represent the viscosity of pure ILs in a wide temperature and pressure range, and the parameters obtained from pure ILs can be used to predict the viscosity of IL-mixtures reliably. The model performance of Cl-based ILs at low temperatures is poor, and the temperature-dependent FVT parameter may be used to improve the model results.  DGT-ePC-SAFT can provide reliable results for pure ILs in a wide temperature range, and it can be further used to describe the density profile in the interface. Furthermore, spot-DGT-ePC-SAFT based on the approximate density profile was proposed to predict the surface tension of IL-IL and IL-CO2 systems, and the reliable predictions imply the promising of spot-DGT-ePC-SAFT. To calculate the properties of confined ILs efficiently, Chebyshev pseudo-spectral collocation method was applied to accelerate the ePC-SAFT-DFT calculation. The feasibility of accelerating the ePC-SAFT-DFT calculation with the Chebyshev pseudo-spectral collocation method was discussed for the confined IL-CO2 systems. It was found that the Chebyshev pseudo-spectral collocation method can improve the efficiency of ePC-SAFT-DFT calculation significantly.  
  •  
38.
  • Sun, Yunhao, et al. (författare)
  • Modeling Thermodynamic Derivative Properties and Gas Solubility of Ionic Liquids with ePC-SAFT
  • 2019
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 58:19, s. 8401-8417
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, the ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) was extended to predict the second-order thermodynamic derivative properties and gas solubility of the ionic liquids (ILs) containing one of the IL cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and one of the IL anions ([Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl–, [Ac]−, and Br–). The ideal-gas isobaric heat capacities of ILs were estimated by the group contribution method for obtaining the heat capacity. The model prediction results were compared with the available experimental data, and the comparison shows that the ePC-SAFT prediction is reliable for most ILs. Furthermore, one adjustable ion-specific binary interaction parameter between the IL ion and CO2 can be used to further improve the model prediction performance for the CO2 solubility in ILs.
  •  
39.
  • Sun, Yunhao, et al. (författare)
  • Modeling Viscosity of Ionic Liquids with Electrolyte Perturbed-Chain Statistical Associating Fluid Theory and Free Volume Theory
  • 2018
  • Ingår i: Industrial & Engineering Chemistry Research. - : American Chemical Society (ACS). - 0888-5885 .- 1520-5045. ; 57:26, s. 8784-8801
  • Tidskriftsartikel (refereegranskat)abstract
    • Viscosity is one of the most important physical properties when developing ionic liquids (ILs) for industrial applications such as CO2 separation. The viscosities of ILs have been measured experimentally, while the modeling work is still limited. In this work, the electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) was combined with the free volume theory (FVT) to model the viscosities of pure ILs and IL mixtures up to high pressures and temperatures, in which the ePC-SAFT was used to calculate the density as inputs for modeling the viscosity of ILs with FVT. The ILs under consideration contain one of the IL cations [Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, or [THTDP]+ and one of the IL anions [Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl–, [Ac]−, or Br–. In total, 89 ILs were considered combined with a thorough literature survey of the available experimental viscosity data and evaluation. The comparison with the available experimental viscosities shows that the model can provide reliable representation and prediction for most of the pure ILs in a wide temperature and pressure range, and it can be further used to predict and describe the viscosity of IL mixtures reliably.
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40.
  •  
41.
  • Tong, Yang, et al. (författare)
  • Progress of the key materials for organic solar cells
  • 2020
  • Ingår i: Science in China Series B. - Beijing, China : SCIENCE PRESS. - 1674-7291 .- 1869-1870. ; 63:6, s. 758-765
  • Forskningsöversikt (refereegranskat)abstract
    • Organic solar cells have attracted academic and industrial interests due to the advantages like lightweight, flexibility and roll-to-roll fabrication. Nowadays, 18% power conversion efficiency has been achieved in the state-of-the-art organic solar cells. The recent rapid progress in organic solar cells relies on the continuously emerging new materials and device fabrication technologies, and the deep understanding on film morphology, molecular packing and device physics. Donor and acceptor materials are the key materials for organic solar cells since they determine the device performance. The past 25 years have witnessed an odyssey in developing high-performance donors and acceptors. In this review, we focus on those star materials and milestone work, and introduce the molecular structure evolution of key materials. These key materials include homopolymer donors, D-A copolymer donors, A-D-A small molecular donors, fullerene acceptors and nonfullerene acceptors. At last, we outlook the challenges and very important directions in key materials development.
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42.
  • Vontell, Regina T., et al. (författare)
  • Association of region-specific hippocampal reduction of neurogranin with inflammasome proteins in post mortem brains of Alzheimer's disease
  • 2024
  • Ingår i: ALZHEIMERS & DEMENTIA-TRANSLATIONAL RESEARCH & CLINICAL INTERVENTIONS. - 2352-8737. ; 10:1
  • Tidskriftsartikel (refereegranskat)abstract
    • INTRODUCTION: Neurogranin (Ng) is considered a biomarker for synaptic dysfunction in Alzheimer's disease (AD). In contrast, the inflammasome complex has been shown to exacerbate AD pathology.METHODS: We investigated the protein expression, morphological differences of Ng, and correlated Ng to hyperphosphorylated tau in the post mortem brains of 17 AD cases and 17 age- and sex-matched controls. In addition, we correlated the Ng expression with two different epitopes of apoptosis-associated speck-like protein containing a caspase recruitment domain (ASC).RESULTS: We show a reduction of Ng immunopositive neurons and morphological differences in AD compared to controls. Ng immunostaining was negatively correlated with neurofibrillary tangles, humanized anti-ASC (IC100) positive neurons and anti-ASC positive microglia, in AD.DISCUSSION: The finding of a negative correlation between Ng and ASC speck protein expression in post mortem brains of AD suggests that the activation of inflammasome/ASC speck pathway may play an important role in synaptic degeneration in AD.
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43.
  • Wu, Di, et al. (författare)
  • Profiling surface proteins on individual exosomes using a proximity barcoding assay
  • 2019
  • Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 10
  • Tidskriftsartikel (refereegranskat)abstract
    • Exosomes have been implicated in numerous biological processes, and they may serve as important disease markers. Surface proteins on exosomes carry information about their tissues of origin. Because of the heterogeneity of exosomes it is desirable to investigate them individually, but this has so far remained impractical. Here, we demonstrate a proximity-dependent barcoding assay to profile surface proteins of individual exosomes using antibody-DNA conjugates and next-generation sequencing. We first validate the method using artificial streptavidin-oligonucleotide complexes, followed by analysis of the variable composition of surface proteins on individual exosomes, derived from human body fluids or cell culture media. Exosomes from different sources are characterized by the presence of specific combinations of surface proteins and their abundance, allowing exosomes to be separately quantified in mixed samples to serve as markers for tissue-specific engagement in disease.
  •  
44.
  • Yuan, Shengjuan, et al. (författare)
  • CO2 absorption in mixed aqueous solution of MDEA and cholinium glycinate
  • 2017
  • Ingår i: Energy & Fuels. - : American Chemical Society (ACS). - 0887-0624 .- 1520-5029. ; 31:7, s. 7325-7333
  • Tidskriftsartikel (refereegranskat)abstract
    • A new mixed solvent system that consists of cholinium glycinate ([Cho][Gly]) and aqueous N-methyldiethanolamine (MDEA) solution was developed in this work to serve as CO2 absorbent. The equilibrium absorption was carried out to investigate the effect of solution composition, pressure and temperature on CO2 absorption performance. The effect of CO2 absorption on the viscosity of the aqueous solutions was studied, and the regeneration efficiency of the aqueous solutions was also investigated. The results showed that the CO2 absorption loading decreased with increasing [Cho][Gly] concentration and temperature, and the absorption loading strongly depended on CO2 partial pressure. The reactivity of MDEA was significantly enhanced with the addition of [Cho][Gly]. The aqueous solution with (10 wt % [Cho][Gly] + 20 wt % MDEA) showed an optimal CO2 absorption and high regeneration efficiency. Furthermore, the CO2 absorption mechanism in the aqueous [Cho][Gly]-MDEA solution was explored by 13C Nuclear Magnetic Resonance (NMR), which indicated that the CO2 absorption in the aqueous [Cho][Gly]-MDEA solution was zwitterion mechanism.
  •  
45.
  • Yuan, Shuai, et al. (författare)
  • Smoking, alcohol consumption, and 24 gastrointestinal diseases : Mendelian randomization analysis
  • 2023
  • Ingår i: eLIFE. - : eLife Sciences Publications Ltd. - 2050-084X. ; 12
  • Tidskriftsartikel (refereegranskat)abstract
    • Background: Whether the positive associations of smoking and alcohol consumption with gastrointestinal diseases are causal is uncertain. We conducted this Mendelian randomization (MR) to comprehensively examine associations of smoking and alcohol consumption with common gastrointestinal diseases.Methods: Genetic variants associated with smoking initiation and alcohol consumption at the genome-wide significance level were selected as instrumental variables. Genetic associations with 24 gastrointestinal diseases were obtained from the UK Biobank, FinnGen study, and other large consortia. Univariable and multivariable MR analyses were conducted to estimate the overall and independent MR associations after mutual adjustment for genetic liability to smoking and alcohol consumption.Results: Genetic predisposition to smoking initiation was associated with increased risk of 20 of 24 gastrointestinal diseases, including 7 upper gastrointestinal diseases (gastroesophageal reflux, esophageal cancer, gastric ulcer, duodenal ulcer, acute gastritis, chronic gastritis, and gastric cancer), 4 lower gastrointestinal diseases (irritable bowel syndrome, diverticular disease, Crohn's disease, and ulcerative colitis), 8 hepatobiliary and pancreatic diseases (non-alcoholic fatty liver disease, alcoholic liver disease, cirrhosis, liver cancer, cholecystitis, cholelithiasis, and acute and chronic pancreatitis), and acute appendicitis. Fifteen out of 20 associations persisted after adjusting for genetically predicted alcohol consumption. Genetically predicted higher alcohol consumption was associated with increased risk of duodenal ulcer, alcoholic liver disease, cirrhosis, and chronic pancreatitis; however, the association for duodenal ulcer did not remain statistically significant after adjustment for genetic predisposition to smoking initiation.Conclusions: This study provides MR evidence supporting causal associations of smoking with a broad range of gastrointestinal diseases, whereas alcohol consumption was associated with only a few gastrointestinal diseases.Funding: The Natural Science Fund for Distinguished Young Scholars of Zhejiang Province; National Natural Science Foundation of China; Key Project of Research and Development Plan of Hunan Province; the Swedish Heart Lung Foundation; the Swedish Research Council; the Swedish Cancer Society.
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46.
  • Zhang, Hongpeng, et al. (författare)
  • Influence of Metal Gate Electrodes on Electrical Properties of Atomic-Layer-Deposited Al-Rich HfAlO/Ga2O3 MOSCAPs
  • 2020
  • Ingår i: IEEE Transactions on Electron Devices. - : IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC. - 0018-9383 .- 1557-9646. ; 67:4, s. 1730-1736
  • Tidskriftsartikel (refereegranskat)abstract
    • As the p-type doping beta-Ga2O3 is absent up to now, metal gate (MG) stacks with high work functions are expected to benefit the fabrication of normally-OFF beta-Ga2O3 transistors. In this article, the electrical characteristics of beta-Ga2O3 metal-electrode-gated metal-oxidesemiconductor (MOS) deviceswith Al-rich HfAlO dielectrics and different MG stacks (Ni, Au, Pt, and Ti) are evaluated. The interface state density (Dit) of HfAlO/ beta-Ga2O3 interface is characterized based on the frequency-dependent capacitance-voltage (C-V) and photo-assisted deep ultraviolet (DUV) C-V measurements. An average Dit of 4.45 x 10(11) eV(-1)cm(-2) is extracted from the photo-assisted (deep UV) C-V measurement, while a large amount of border traps, negative fixed charges, and deep traps is also induced at the oxide layer and/or HfAlO/beta-Ga2O3 interface. Then, this article investigates the evaluations of Ti, Ni, Au, and Pt as candidate MGs for beta-Ga2O3 MOS using Al-rich HfAlO as gate dielectric. The obvious flat-band voltage (V-FB) shift and gate leakage variation are observed in beta-Ga2O3 capacitors with different MG solutions, indicating that HfAlO dielectric combined with Ni, Au, and Pt MGs is promising to facilitate some beneficial modifications of normally-OFF beta-Ga2O3 transistors, while Ti electrode ismore suitable for normally-ON beta-Ga2O3 transistors. This article provides an additional practical guideline for choosing the appropriate MG stacks and potential gate dielectric to the development of normally-OFF Ga2O3 transistors.
  •  
47.
  • Zhang, Hongpeng, et al. (författare)
  • Progress of Ultra-Wide Bandgap Ga < sub > 2 O < sub > 3 Semiconductor Materials in Power MOSFETs
  • 2020
  • Ingår i: IEEE transactions on power electronics. - : IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC. - 0885-8993 .- 1941-0107. ; 35:5, s. 5157-5179
  • Tidskriftsartikel (refereegranskat)abstract
    • As a promising ultra-wide bandgap semiconductor, the <italic>& x03B2;</italic>-phase of Ga<sub>2</sub>O<sub>3</sub> has attracted more and more interest in the field of power electronics due to its ultra-wide bandgap (4.8 & x00A0;eV), high theoretical breakdown electric field (8 MV & x002F;cm), and large Baliga & x0027;s figure of merit, which is deemed as a potential candidate for next generation high-power electronics, including diodes, field effect transistors (FETs), etc. In this article, we introduce the basic material properties of Ga<sub>2</sub>O<sub>3</sub>, and review the recent progress and advances of <italic>& x03B2;</italic>-Ga<sub>2</sub>O<sub>3</sub> based metal & x2013;oxide & x2013;semiconductor field-effect transistors (<sc>mosfet</sc>s). Due to the problematic p-type doping technology up to now, the enhancement-mode (E-mode) <italic>& x03B2;</italic>-Ga<sub>2</sub>O<sub>3</sub> FETs face more difficulties, compared with depletion mode (D-mode). This article focuses on reviewing the recent progress of E-mode Ga<sub>2</sub>O<sub>3</sub> <sc>mosfet</sc>s, summarizing and comparing various feasible solutions when p-type doping is absent. Furthermore, the device fabrication and performances of state-of-art <italic>& x03B2;</italic>-Ga<sub>2</sub>O<sub>3</sub> <sc>mosfet</sc>s, including D-mode, E-mode, and planar & x002F;vertical structure are fully discussed and compared, as well as potential solutions to the challenges of Ga<sub>2</sub>O<sub>3</sub> FETs.
  •  
48.
  • Zhang, Hongpeng, et al. (författare)
  • Stress-induced charge trapping and electrical properties of atomic-layer-deposited HfAlO/Ga2O3 metal-oxide-semiconductor capacitors
  • 2019
  • Ingår i: Journal of Physics D. - : IOP PUBLISHING LTD. - 0022-3727 .- 1361-6463. ; 52:21
  • Tidskriftsartikel (refereegranskat)abstract
    • Electrical properties and trapping characteristics of an atomic layer deposited Al-rich HfAlO/beta-Ga2O3 capacitor were evaluated via constant-voltage stress (CVS), capacitance-voltage (C-V), and current-voltage (I-V) measurements. The magnitude of the stress-induced charge trapping increases with increasing voltage and time. The effective charges (N-eff) including the border traps located in near-interface oxide, interface traps (D-it) of HfAlO/beta-Ga2O3 interface, and fixed charges contribute significantly to the observed charge trapping, and it is found that interface traps contribute more under a large stress bias, compared with border traps. In addition, the effective charge density is increased with stress time, implying that the contribution of negative sheet charges during the CVS process might not be negligible. Measurements of oxide permittivity (10.74), interface state density (D-it similar to 1 x 10(12) eV(-1) cm(-2)), and gate leakage current (1.18 x 10( -5) A cm(-2) at +10 V) have been extracted, suggesting the great electrical properties of Al-rich HfAlO/beta-Ga203 MOSCAP. According to the above analysis, Al-rich HfAlO is an attractive candidate for normally off Ga2O3 transistors.
  •  
49.
  • Zhang, Yuehui, et al. (författare)
  • Metformin Ameliorates Uterine Defects in a Rat Model of Polycystic Ovary Syndrome.
  • 2017
  • Ingår i: EBioMedicine. - : Elsevier BV. - 2352-3964. ; 18, s. 157-170
  • Tidskriftsartikel (refereegranskat)abstract
    • Adult rats treated concomitantly with insulin and human chorionic gonadotropin exhibit endocrine, metabolic, and reproductive abnormalities that are very similar to those observed in polycystic ovary syndrome (PCOS) patients. In this study, we used this rat model to assess the effects of metformin on PCOS-related uterine dysfunction. In addition to reducing androgen levels, improving insulin sensitivity, and correcting the reproductive cycle, metformin treatment induced morphological changes in the PCOS-like uterus. At the molecular and cellular levels, metformin normalized the androgen receptor-mediated transcriptional program and restored epithelial-stromal interactions. In contrast to glucose transport, uterine inflammatory gene expression was suppressed through the PI3K-Akt-NFκB network, but without affecting apoptosis. These effects appeared to be independent of AMPK subunit and autophagy-related protein regulation. We found that when metformin treatment partially restored implantation, several implantation-related genes were normalized in the PCOS-like rat uterus. These results improve our understanding of how metformin rescues the disruption of the implantation process due to the uterine defects that result from hyperandrogenism and insulin resistance. Our data provide insights into the molecular and functional clues that might help explain, at least in part, the potential therapeutic options of metformin in PCOS patients with uterine dysfunction.
  •  
50.
  • Zuo, Zhida, et al. (författare)
  • Simultaneous representation of thermodynamic properties and viscosities of ILs/DESs+co-solvent systems by Eyring-NRTL model
  • 2021
  • Ingår i: Fluid Phase Equilibria. - : Elsevier. - 0378-3812 .- 1879-0224. ; 547
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work, the nonrandom two-liquid model (NRTL) was coupled with the Eyring's absolute rate theory (the Eyring-NRTL model), to study thermodynamic properties and viscosities simultaneously with one set of parameters, and ten non-aqueous mixtures containing ionic liquids (ILs)/deep eutectic solvents (DESs) were chosen in the study as the first step. In model parameterizing, three strategies were investigated, which were viscosity as the input only, enthalpy with/without vapor pressure as the inputs, and enthalpy and viscosity as inputs, respectively. The investigation shows that it is possible to represent thermodynamic and kinetic properties simultaneously. Furthermore, the viscosity can be predicted using the model with reasonable parameters determined from the excess enthalpy, and incorporating vapor pressures and limited viscosity data in parameterizing can further improve the model performance on the viscosity. For the first time, the thermodynamic model was coupled with the Eyring's theory to study the systems of (IL/DES + molecular solvent), how to obtain the model parameters was clarified, and the possibility and reliability of the used model in representing thermodynamic and kinetic properties were illustrated and discussed.
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