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1.
Phys Chem Chem Phys ; 25(39): 26906-26916, 2023 Oct 11.
Article in English | MEDLINE | ID: mdl-37786394

ABSTRACT

Sodium-rich anti-perovskites have unique advantages in terms of composition tuning and electrochemical stability when used as solid-state electrolytes in sodium-ion batteries. However, their Na+ transport mechanism is not clear and Na+ conductivity needs to be improved. In this paper, we investigate the stability, elastic properties and Na+ transport mechanisms of both the double anti-perovskite Na3S0.5O0.5I and anti-perovskite Na3OI. The results indicate that the NaI Schottky defect is the most favorable intrinsic defect for Na+ transport and due to the substitution of S2- for O2-, Na3S0.5O0.5I has stronger ductility and higher Na+ conductivity compared to Na3OI, despite the electrochemical window being slightly narrower. Divalent alkaline earth metal dopants can increase the Na+ vacancy concentration, while impeding Na+ migration. Among the dopants, Sr2+ and Ca2+ are the optimal dopants for Na3S0.5O0.5I and Na3OI, respectively. Notably, the Na+ conductivity of the non-stoichiometric Na3S0.5O0.5I at room temperature is 1.2 × 10-3 S cm-1, indicating its great potential as a solid-state electrolyte. Moreover, strain effect calculations show that biaxial tensile strain is beneficial for Na+ transport. Our work reveals the sodium-ion transport mechanism and elastic properties of double anti-perovskites, which is of great significance for the development of solid-state electrolytes.

2.
J Chem Phys ; 159(2)2023 Jul 14.
Article in English | MEDLINE | ID: mdl-37428063

ABSTRACT

Due to high ion conductivity, low cost, and adjustable composition, antiperovskite has attracted much attention as a potentially useful material in solid-state batteries. Compared with simple antiperovskite, Ruddlesden-Popper (R-P) antiperovskite is an updated material, which is not only more stable but also reported to significantly enhance conductivity when added to simple antiperovskite. However, systematic theoretical research on R-P antiperovskite is scarce, hindering its further development. In this study, the recently reported easily synthesized R-P antiperovskite LiBr(Li2OHBr)2 is calculated for the first time. Comparative calculations were conducted on the transport performance, thermodynamic properties, and mechanical properties of H-rich LiBr(Li2OHBr)2 and H-free LiBr(Li3OBr)2. Our results indicate that due to the presence of protons, LiBr(Li2OHBr)2 is more prone to defects, and synthesizing more LiBr Schottky defects can improve its Li-ion conductivity. Young's modulus of the LiBr(Li2OHBr)2 is as low as 30.61 GPa, which is beneficial for its application as a sintering aid. However, the calculated Pugh's ratio (B/G) of 1.28 and 1.50, respectively, indicates that R-P antiperovskites LiBr(Li2OHBr)2 and LiBr(Li3OBr)2 exhibit mechanical brittleness, which is not conducive to its application as solid electrolytes. Through quasi-harmonic approximation, we found that the linear thermal expansion coefficient of LiBr(Li2OHBr)2 is 2.07 × 10-5 K-1, which is more advantageous in matching electrodes than LiBr(Li3OBr)2 and even simple antiperovskites. Overall, our research provides comprehensive insights into the practical application of R-P antiperovskite in solid-state batteries.

3.
J Phys Chem Lett ; 14(11): 2869-2877, 2023 Mar 23.
Article in English | MEDLINE | ID: mdl-36920163

ABSTRACT

Although the perovskite (Nd,Sr)CoO3 (NSC113)/Ruddlesden-Popper (R-P) oxide (Nd,Sr)2CoO4 (NSC214) heterostructure is reported to improve the oxygen reduction reaction (ORR) activity by 2-3 orders of magnitude, the enhancement mechanism remains unclear. For the first time, we conclude that there are two main factors that can enhance the ORR activity: (1) Oxygen adsorbed on such heterostructures would gain more electrons, promoting the oxygen adsorption. (2) The more distant rock-salt layers on the heterointerfaces can facilitate the insertion of interstitial oxygen and form a high-speed transport channel of interstitial oxygen. Moreover, the perovskite/double-layered R-P oxide heterostructure, which has not been reported yet, is predicted to have better ORR performance than the perovskite/single-layered R-P oxide heterostructure. Our work elucidates the ORR enhancement mechanism on perovskite/R-P oxide heterostructures from the atomic level, which is demonstrated by experiments and, thus, is very meaningful for the development of high-performance electrochemical devices.

4.
Clin. transl. oncol. (Print) ; 25(1): 105-113, ene. 2023.
Article in English | IBECS | ID: ibc-215825

ABSTRACT

Myelodysplastic syndrome (MDS) consists of a group of hematologic tumors that are derived from the clonal proliferation of hematopoietic stem cells, featuring abnormal hematopoietic cell development and ineffective hematopoiesis. Animal models are an important scientific research platform that has been widely applied in the research of human diseases, especially tumors. Animal models with MDS can simulate characteristic human genetic variations and tumor phenotypes. They also provide a reliable platform for the exploration of the pathogenesis and diagnostic markers of MDS as well as for a drug efficacy evaluation. This paper reviews the research status of three animal models and a new spontaneous mouse model with MDS (AU)


Subject(s)
Animals , Disease Models, Animal , Myelodysplastic Syndromes/genetics , Hematopoietic Stem Cells/pathology , Hematopoiesis , Phenotype
5.
Clin Transl Oncol ; 25(1): 105-113, 2023 Jan.
Article in English | MEDLINE | ID: mdl-36068448

ABSTRACT

Myelodysplastic syndrome (MDS) consists of a group of hematologic tumors that are derived from the clonal proliferation of hematopoietic stem cells, featuring abnormal hematopoietic cell development and ineffective hematopoiesis. Animal models are an important scientific research platform that has been widely applied in the research of human diseases, especially tumors. Animal models with MDS can simulate characteristic human genetic variations and tumor phenotypes. They also provide a reliable platform for the exploration of the pathogenesis and diagnostic markers of MDS as well as for a drug efficacy evaluation. This paper reviews the research status of three animal models and a new spontaneous mouse model with MDS.


Subject(s)
Hematologic Neoplasms , Myelodysplastic Syndromes , Animals , Mice , Humans , Myelodysplastic Syndromes/genetics , Hematopoietic Stem Cells/pathology , Disease Models, Animal , Hematopoiesis
6.
Materials (Basel) ; 14(1)2020 Dec 25.
Article in English | MEDLINE | ID: mdl-33375696

ABSTRACT

In the cement industry, SO2 and NOx are generally removed separately. There are many problems, such as large area, high investment cost, secondary pollution and so on. Desulfurization and denitrification technology have become a frontier research direction in the field of air pollution control. In this paper, rice husk ash and carbide slag were compounded and modified to prepare modified rice husk ash-carbide slag composite absorbent, and its desulfurization and denitrification performance and mechanism were studied. The results showed that the NO conversion and SO2 conversion of the modified rice husk ash-carbide slag composite absorbent increased by 44% and 2%, respectively, at 700 °C. Fibrous calcium silicate and calcium silicoaluminate hydrates were formed during the hydration process, which made the specific surface area of the absorbent larger and provided more reactive sites. The hydration process increases the content of oxygen-containing functional groups, decreases the hydroxyl/ether C-O functional groups, and increases the content of carboxyl-COO functional groups are conducive to the denitrification reaction.

7.
Seizure ; 50: 99-108, 2017 Aug.
Article in English | MEDLINE | ID: mdl-28649016

ABSTRACT

PURPOSE: Automatic seizure detection is significant for the diagnosis of epilepsy and the reduction of massive workload for reviewing continuous EEG recordings. METHODS: Compared with the long non-seizure periods, the durations of the seizure events are much shorter in the continuous EEG recordings. So the seizure detection task can be regarded as an imbalanced classification problem. In this paper, a novel method based on the weighted extreme learning machine (ELM) is proposed for seizure detection with imbalanced EEG data distribution. Firstly, the wavelet packet transform is employed to analyze the EEG data and obtain the time and frequency domain features, and the pattern match regularity statistic (PMRS) is used as the nonlinear feature to quantify the complexity of the EEG time series. After that, the EEG feature vectors are discriminated by the weighted ELM. It can assign different weights for the EEG feature samples according to the class distribution, so that to effectively moderate the bias in performance caused by imbalanced class distribution. RESULTS: The metric G-mean which takes into account of both the sensitivity and specificity is used to evaluate the performance of this method. The G-mean of 93.96%, event-based sensitivity of 97.73% and false alarm rate of 0.37/h are yielded on the publicly available EEG dataset. CONCLUSION: The comparison with other detection methods shows the superior performance of this method, which indicates its potential for detecting seizure events in clinical practice. Additionally, much larger amounts of true continuous EEG data will be used to test the proposed method further in the future work.


Subject(s)
Epilepsy/diagnosis , Seizures/diagnosis , Algorithms , Brain/physiopathology , Electroencephalography/methods , Epilepsy/physiopathology , Female , Humans , Male , Models, Statistical , Seizures/physiopathology , Sensitivity and Specificity , Signal Processing, Computer-Assisted
8.
Med Sci Monit ; 22: 3073-8, 2016 Aug 30.
Article in English | MEDLINE | ID: mdl-27574952

ABSTRACT

BACKGROUND Persistent atrial fibrillation has been indicated to be related with microRNA-28b. However, the exact role of microRNA-28b in persistent atrial fibrillation needs to be further elucidated. Therefore, this study aimed to establish a rat model of persistent atrial fibrillation to investigate the level of microRNA-28b in atrial myocytes and to explore the molecular mechanism involved. MATERIAL AND METHODS A persistent atrial fibrillation model was established in rats by using chronic rapid atrial pacing induction. The size of the heart was measured by ultrasonic method. The expression of microRNA-28b in left atrial myocytes was quantified by RT-PCR. Cardiomyocytes were isolated and cultured to detect cell proliferation and apoptosis by MTT and flow cytometry, respectively. The specific inhibitor of ERK signaling pathway, PD98059, was used to further illustrate the role of ERK signaling pathway in the modulation of cardiomyocytes in persistent atrial fibrillation. RESULTS MicroRNA-28b was up-regulated in the experimental rat model with persistent atrial fibrillation. The proliferation of cardiomyocytes was significantly inhibited with potentiated apoptosis. Blockage of the ERK pathway suppressed the microRNA-28b expression and inhibited cell apoptosis. CONCLUSIONS microRNA-28b-induced growth inhibition and cell apoptosis of atrial myocytes was observed in the rat model with persistent atrial fibrillation, via activation of the ERK signaling pathway.


Subject(s)
Atrial Fibrillation/genetics , MicroRNAs/genetics , Animals , Apoptosis/physiology , Atrial Fibrillation/metabolism , Cell Proliferation/physiology , Disease Models, Animal , Heart Atria/cytology , Heart Atria/metabolism , MAP Kinase Signaling System , Male , MicroRNAs/metabolism , Myocytes, Cardiac/metabolism , Myocytes, Cardiac/physiology , Rats , Rats, Sprague-Dawley , Signal Transduction/physiology , Up-Regulation
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