Search results for: Yuxi Sun

Items from 1 to 20 out of 45 results

article

Elemental behaviors of γ‐irradiated borosilicate glass as a vitrification model

Jiandong Zhang, Xiaoyu Xia, Fanrong Zeng, Xiaochong Xi, more

International Journal of Applied Glass Science > 14 > 3 > 380 - 388

Borosilicate glass has been extensively studied due to its unique properties of solidifying high‐level radioactive waste (HLW). However, the responses of borosilicate glass under γ irradiation are not fully understood. In this work, NBS9 and NBS10 glass were irradiated by γ‐rays at absorbed doses of 8 kGy and 800 kGy, respectively. Scanning electronic microscopy, energy dispersive X‐ray, and time‐of‐flight...

article

Ultra‐Stretchable Spiral Hybrid Conductive Fiber with 500%‐Strain Electric Stability and Deformation‐Independent Linear Temperature Response

Jianpeng Wu, Min Sang, Jingyi Zhang, Yuxi Sun, more

Small > 19 > 19 > n/a - n/a

Stretchable configuration occupies priority in devising flexible conductors used in intelligent electronics and implantable sensors. While most conductive configurations cannot suppress electrical variations against extreme deformation and ignore inherent material characteristics. Herein, a spiral hybrid conductive fiber (SHCF) composed of aramid polymeric matrix and silver nanowires (AgNWs) coating...

article

Tembusu virus infection in laying chickens: Evidence for a distinct genetic cluster with significant antigenic variation

Ziding Yu, Hang Ren, Mengxu Sun, Wanying Xie, more

Transboundary and Emerging Diseases > 69 > 4 > e1130 - e1141

Tembusu virus (TMUV) associated disease is a growing cause of egg production decrease and encephalitis in domestic waterfowl, with expanding distribution. In previous studies, TMUV isolates were phylogenetically classified into two genetic lineages and different clusters with varied pathogenicity. However, little is known about the phenotypic and virulence characteristics of cluster 3 isolates within...

article

Theoretical investigations on mechanisms and kinetics of methylketene with H reaction in the atmosphere

Huaming Du, Yuxi Sun, Huirong Li, Zhiguo Wang, more

Journal of Physical Organic Chemistry > 34 > 12 > n/a - n/a

Detailed oxidation course of H‐initiated degradation of CH₃CHCO has been researched taking advantage of quantum chemical methods. Geometrical optimizations of reactants, intermediates, transition states, and products were operated at the B3LYP/6‐31++G(d,p) level. Single‐point energy computations were implemented at the CCSD(T)/cc‐pVTZ//B3LYP/6‐311++G(d,p) level. The results state clearly that the...

article

Mechanistic and kinetics study on the reaction of CF₃CBrCH₂ with OH: A theoretical study

Yunju Zhang, Yuxi Sun

Journal of Physical Organic Chemistry > 33 > 10 > n/a - n/a

Quantum chemical method (CCSD(T)/cc‐pVTZ//M06‐2X/6‐311++G(d,p)) is employed to research the CF₃CBrCH₂ + OH reaction. The results indicate that the reaction takes place through the interaction of the oxygen atom of the OH radical with the middle C and terminal C atom of CF₃CBrCH₂ generating adduct IM1 (CF₃CBrCH₂OH) and IM2 (CF₃CBrOHCH₂), respectively, and then further dissociation or rearrangement...

article

Theoretical investigation on atmospheric reaction of O(³P) with CH₂CN

Yunju Zhang, Yuxi Sun

Journal of Physical Organic Chemistry > 32 > 4 > n/a - n/a

The degradation reaction of CH₂CN radical with O(³P) was firstly studied using quantum chemical methods. The energetics were calculated at CCSD(T)/cc‐pVTZ//B3LYP/6‐311++G(d,p). The formation of the intermediate C‐IM1 (CH₂C(O)N) is the dominant channel by addition between O(³P) and the central‐C atom of CH₂CN. Due to higher barriers, the terminal‐C‐addition/elimination, N‐addition/elimination, substitution...

article

Mechanistic and kinetic study on the reaction of Furan with O(³P)

Yunju Zhang, Yuxi Sun

Journal of Physical Organic Chemistry > 31 > 11 > n/a - n/a

The ab initio and DFT methods together with the multichannel RRKM‐TST theories with the FORTRAN code were employed to investigate the mechanisms and kinetics of Furan + O(³P) reaction. Eight product channels (2 H‐abstraction product channels and 6 addition/elimination product channels) have been identified, and the addition/elimination is dominant both thermodynamic and kinetic consideration. The...

article

Theoretical study on the gas-phase reaction of acetaldehyde with methoxy radical

Yunju Zhang, Ruojing Song, Yuxi Sun, Rongshun Wang

Structural Chemistry > 2019 > 30 > 1 > 127-135

The reaction of acetaldehyde with methoxy radical has been investigated theoretically by means of quantum chemistry methods at the BMC-QCISD//B3LYP/6-311+G(d,p) level. The title reaction included three manners, namely, H-abstraction, C-addition-elimination, and C-addition-isomerization-elimination. Based on our calculated results, the formation of adduct IM1 is not a nucleophilic addition reaction,...

article

Low-stress Microfluidic Density-gradient Centrifugation for Blood Cell Sorting

Yuxi Sun, Palaniappan Sethu

Biomedical Microdevices > 2018 > 20 > 3 > 1-10

Density gradient centrifugation exploits density differences between different blood cells to accomplish separation of peripheral blood mononuclear cells (PBMCs) from polymorphonuclear (PNM) cells, and erythrocytes or red blood cells (RBCs). While density gradient centrifugation offers a label-free alternative avoiding the use of harsh lysis buffers for blood cell isolation, it is a time-consuming...

article

Predictive value of left atrial appendage lobes on left atrial thrombus or spontaneous echo contrast in patients with non-valvular atrial fibrillation

Fan Wang, Mengyun Zhu, Xiaoyu Wang, Wei Zhang, more

BMC Cardiovascular Disorders > 2018 > 18 > 1 > 1-11

Background Left atrial appendage morphology has been proved to be an important predictor of left atrial thrombus (LAT) and left atrial spontaneous echo contrast (LASEC) and stroke in patients with non-valvular atrial fibrillation (NVAF). However, the relation between left atrial appendage (LAA) lobes and LAT or LASEC is still unknown. The aim of this study is to investigate the correlation between...

article

The Potential of Stem Cells and Stem Cell-Derived Exosomes in Treating Cardiovascular Diseases

Jing Ni, Yuxi Sun, Zheng Liu

Journal of Cardiovascular Translational Research > 2019 > 12 > 1 > 51-61

In recent years, the cardiac protective mechanisms of stem cells have become a research focus. Increasing evidence has suggested that stem cells release vesicles, including exosomes and micro-vesicles. The content of these vesicles relies on an extracellular stimulus, and active ingredients are extensively being studied. Previous studies have confirmed that stem cell-derived exosomes have a cardiac...

article

Computational study on the mechanisms and kinetics of the CH₂=CHCH₂I with OH reaction

Yunju Zhang, Ruojing Song, Yuxi Sun, Rongshun Wang

Structural Chemistry > 2018 > 29 > 4 > 1045-1055

The potential energy surface for the reaction of OH with CH₂═CHCH₂I has been studied at the CCSD(T)//M06-2X/6-311++G(d,p) level of theory. Three different reaction entrances were revealed, namely, terminal-C addition, central-C addition, and H-abstraction, leading to CH₂OHCHCH₂I (IM1), CH₂CHOHCH₂I (IM2), and H₂O + C₃H₄I, respectively. Several conceivable decomposition and isomerization channels were...

article

Mechanistic and kinetic study on the reaction of methylperoxyl radical with atomic hydrogen

Yunju Zhang, Ruojing Song, Yuxi Sun, Jingyu Sun, more

Chemical Physics Letters > 2017 > 687 > C > 276-283

Singlet and triplet potential energy surfaces for the CH₃O₂ with H reaction have been investigated computationally to propose the reaction mechanisms and possible products. On the singlet PES, addition-dissociation was located. At 3.65Torr with He as bath gas, the formation of CH₂O+H₂O channel is dominated at the whole temperature range. Furthermore, the predicted rate constants for kCH2O+H2O at 298K...

article

Effect of angiotensin-converting enzyme inhibitors and angiotensin II receptor blockers on cardiovascular events in patients with heart failure: a meta-analysis of randomized controlled trials

Chenhui Tai, Tianyi Gan, Liling Zou, Yuxi Sun, more

BMC Cardiovascular Disorders > 2017 > 17 > 1 > 1-12

Background Heart failure (HF) remains a significant cause of morbidity and mortality. Multiple trials over the past several years have examined the effects of both angiotensin-converting enzyme inhibitors (ACEIs) and angiotensin II receptor blockers (ARBs) in the treatment of left ventricular dysfunction, both acutely after myocardial infarction and in chronic heart failure. Yet, there is still confusion...

article

Complexation of U(VI) with picolinic acid in aqueous solution at variable temperatures: Potentiometric, spectrophotometric and calorimetric studies

Yanqiu Yang, Jun Liu, Yuxi Sun, Sheng Hu, more

The Journal of Chemical Thermodynamics > 2017 > 113 > C > 350-357

Thermodynamics of the U(VI) complexation with picolinic acid (HL) was investigated under constant ionic strength (1.05mol·kg⁻¹ NaClO₄) with multiple techniques, including potentiometry, spectrophotometry and calorimetry. Three stepwise complexes, UO₂L⁺, UO₂L₂(aq) and UO₂L₃⁻, were identified, and their formation constants were determined by potentiometric titrations at 283–313K. The spectrophotometric...

article

Computational study on the mechanisms and reaction pathways of the brominated alkyl radical (CHBr2/CBr3) with NO2 reactions

Yunju Zhang, Ruojing Song, Yuxi Sun, Jingyu Sun, more

Computational and Theoretical Chemistry > 2017 > 1115 > C > 299-306

Mechanisms and reaction channels of the CHBr₂ and CBr₃ with NO₂ reactions have been studied by quantum chemistry methods. The calculated results indicating that the title reactions can take place on either the singlet or triplet potential energy surfaces (PES) and the pathways on the triplet PES should be much less competitive than that on the singlet PES. On the singlet surface, CHBr₂ radical can...

article

Mechanistic and kinetic study on the reaction of methylperoxy radical with atomic iodine

Yunju Zhang, Ruojing Song, Yuxi Sun, Jingyu Sun, more

Journal of Molecular Graphics and Modelling > 2017 > 76 > C > 512-520

Singlet and triplet potential energy surfaces for the CH₃O₂ with I reaction have been investigated computationally to propose the reaction mechanisms and possible products. Multichannel RRKM theory and transition-state theory have been used to compute the overall and individual rate constants at 200–3000K and 10⁻¹⁴–10¹⁴Torr. On the singlet PES, addition-elimination, substitution and H-abstraction...

article

Mechanistic and kinetic study on the reaction of atomic O(3P) with CH3CCCl

Yunju Zhang, Tianyan Liao, Ruojing Song, Yuxi Sun, more

Computational and Theoretical Chemistry > 2017 > 1112 > C > 61-70

The potential energy surface for the reaction of atomic O(³P) with CH₃CCCl has been studied using the CCSD(T)//M06-2X method. Two kinds of reaction mechanisms were revealed. The hydrogen abstraction of CH₃CCCl by O(³P) produces h-P1 (OH+CH₂CCCl) via a barrier of 9.68kcal/mol. The addition of O(³P) to the CC triplet bond of CH₃CCCl proceeds to the activated adducts IM1 (CH₃COCCl) and IM2 (CH₃CCOCl)...

article

Theoretical Study on the Gas Phase Reaction of Allyl Bromide with Hydroxyl Radical

Yunju Zhang, Yuxi Sun, Jingyu Sun, Rongshun Wang

Computational and Theoretical Chemistry > 2017 > 1102 > C > 114-126

Mechanisms and reaction channels of the allyl bromide (CH₂CHCH₂Br) with OH reaction are studied using quantum chemistry. It is predicted that the H(or Br)-abstraction and addition/elimination mechanisms have been revealed on potential energy surface (PES). Direct H-abstract from the CH₂Br group of CH₂CHCH₂Br leading to h-P1 (CH₂CHCHBr+H₂O) is dominant. As for addition/elimination mechanism, it is...

article

Mechanistic and kinetic study on the reaction of thiophene with hydroxyl radical

Yunju Zhang, Jingyu Sun, Yuxi Sun, Yizhen Tang, more

Computational and Theoretical Chemistry > 2016 > 1092 > C > 74-81

In order to understand the thiophene with hydroxyl reaction mechanism and kinetics, we carried out a detailed potential energy surface (PES) on the title reaction at the M06-2X/6-311++G(d,p) and G3(MP2) (single-point) levels. Two possible reaction mechanisms including addition-elimination and H-abstract were revealed. The hydrogen abstraction of thiophene by OH produces H₂O along with the 2-thienyl...

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INFONA - science communication portal

Search results for: Yuxi Sun

Elemental behaviors of γ‐irradiated borosilicate glass as a vitrification model

Ultra‐Stretchable Spiral Hybrid Conductive Fiber with 500%‐Strain Electric Stability and Deformation‐Independent Linear Temperature Response

Tembusu virus infection in laying chickens: Evidence for a distinct genetic cluster with significant antigenic variation

Theoretical investigations on mechanisms and kinetics of methylketene with H reaction in the atmosphere

Mechanistic and kinetics study on the reaction of CF₃CBrCH₂ with OH: A theoretical study

Theoretical investigation on atmospheric reaction of O(³P) with CH₂CN

Mechanistic and kinetic study on the reaction of Furan with O(³P)

Theoretical study on the gas-phase reaction of acetaldehyde with methoxy radical

Low-stress Microfluidic Density-gradient Centrifugation for Blood Cell Sorting

Predictive value of left atrial appendage lobes on left atrial thrombus or spontaneous echo contrast in patients with non-valvular atrial fibrillation

The Potential of Stem Cells and Stem Cell-Derived Exosomes in Treating Cardiovascular Diseases

Computational study on the mechanisms and kinetics of the CH₂=CHCH₂I with OH reaction

Mechanistic and kinetic study on the reaction of methylperoxyl radical with atomic hydrogen

Effect of angiotensin-converting enzyme inhibitors and angiotensin II receptor blockers on cardiovascular events in patients with heart failure: a meta-analysis of randomized controlled trials

Complexation of U(VI) with picolinic acid in aqueous solution at variable temperatures: Potentiometric, spectrophotometric and calorimetric studies

Computational study on the mechanisms and reaction pathways of the brominated alkyl radical (CHBr2/CBr3) with NO2 reactions

Mechanistic and kinetic study on the reaction of methylperoxy radical with atomic iodine

Mechanistic and kinetic study on the reaction of atomic O(3P) with CH3CCCl

Theoretical Study on the Gas Phase Reaction of Allyl Bromide with Hydroxyl Radical

Mechanistic and kinetic study on the reaction of thiophene with hydroxyl radical

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