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Computational analysis of apatite-type compounds for band gap engineering: DFT calculations and structure prediction using tetrahedral substitution

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Rare Metals 2021年第12期40卷 3694-3700页

作者： Hai-Kun liu li-bing liao Yuan-Yuan Zhang Sergey MAksenov Ning liu Qing-Feng Guo Dina V.Deyneko Tian-Yi Wang Le-Fu Mei Cheng-Hua Sun Science and Technology Innovation Institute Dongguan University of TechnologyDongguan 523808China School of Chemical Engineering and Energy Technology Dongguan University of TechnologyDongguan 523808China Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Sciences and TechnologyChina University of GeosciencesBeijing 100083China School of Materials Sciences and Technology Dongguan University of TechnologyDongguan 523808China

Mineral apatite compounds have attracted significant interest due to their chemical stability and adjustable hexagonal structure,which makes them suitable as new photovoltaic functional *** band gap of natural apatite is ~5.45 eV,and such a large value limits their applications in the field of catalysis and energy *** this research,we designed a method to narrow the band gap via the tetrahedral substitution effect in apatite-based *** density functional theory(DFT) and experimental investigation of the electronic and optical properties revealed that the continuous incorporation of [MO_(4)]^(4-) tetrahedrons(M=Si,Ge,Sn,and Mn) into the crystal lattice can significantly reduce the band *** particular,this phenomenon was observed when the[MnO_(4)]^(4-) tetrahedron replaces the [PO_(4)]^(4-) tetrahedron because of the formation of a Mn 3 d-derived conduction band minimum(CBM) and interacts with other elements,leading to band broadening and obvious reduction of the band *** approach allowed us to propose a novel scheme in the band gap engineering of apatite-based compounds toward an entire spectral range modification.

关键词： Apatite Density functional theory(DFT) Band gap engineering Structure prediction Tetrahedral substitution

Can urban forests provide acoustic refuges for birds?Investigating the influence of vegetation structure and anthropogenic noise on bird sound diversity

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Journal of Forestry Research 2024年第2期35卷 163-175页

作者： Zezhou Hao Chengyun Zhang Le li bing Sun Shuixing Luo Juyang liao Qingfei Wang Ruichen Wu Xinhui Xu Christopher A.Lepczyk Nancai Pei Research Institute of Tropical Forestry Chinese Academy of ForestryGuangzhou 510520People’s Republic of China School of Electronics and Communication Engineering Guangzhou UniversityGuangzhou 510006People’s Republic of China Hunan Botanical Barden Changsha 410116People’s Republic of China Guangdong Eco-Engineering Polytechnic Guangzhou 510520People’s Republic of China College of Forestry Wildlife and EnvironmentAuburn UniversityAuburnAL 36849USA

As a crucial component of terrestrial ecosystems,urban forests play a pivotal role in protecting urban biodiversity by providing suitable habitats for acoustic *** studies note that vegetation structure is a key factor influencing bird sounds in urban forests;hence,adjusting the frequency composition may be a strategy for birds to avoid anthropogenic noise to mask their ***,it is unknown whether the response mechanisms of bird vocalizations to vegetation structure remain consistent despite being impacted by anthropogenic *** was hypothesized that anthropogenic noise in urban forests occupies the low-frequency space of bird songs,leading to a possible reshaping of the acoustic niches of forests,and the vegetation structure of urban forests is the critical factor that shapes the acoustic space for bird *** acoustic monitoring in various urban forests was used to monitor natural and anthropogenic noises,and sounds were classified into three acoustic scenes(bird sounds,human sounds,and bird-human sounds)to determine interconnections between bird sounds,anthropogenic noise,and vegetation *** noise altered the acoustic niche of urban forests by intruding into the low-frequency space used by birds,and vegetation structures related to volume(trunk volume and branch volume)and density(number of branches and leaf area index)significantly impact the diversity of bird *** findings indicate that the response to low and high frequency signals to vegetation structure is *** clarifying this relationship,our results contribute to understanding of how vegetation structure influences bird sounds in urban forests impacted by anthropogenic noise.

关键词： Anthropogenic noise Bird sounds Urban forests Vegetation structure

Effects of microenvironment and biological behavior on the paracrine function of stem cells

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Genes & Diseases 2024年第1期11卷 135-147页

作者： Zhixin Xue Yunjun liao Ye li The Department of Plastic and Cosmetic Surgery Nanfang HospitalSouthern Medical UniversityGuangzhouGuangdong 510515China

Mesenchymal stem cells(MSCs),the most well-studied cell type in the field of stem cell therapy,have multi-lineage differentiation and self-renewal ***-based thera-pies have been used to treat diverse diseases because of their ability to potently repair tissue and locally restore *** increasing body of evidence demonstrates that paracrine func-tion is central to the effects of MsC-based *** factors,cytokines,chemokines,extracellular matrix components,and extracellular vehicles all contribute to the beneficial ef-fects of MSCs on tissue regeneration and *** paracrine substances secreted by MSCs change depending on the tissue microenvironment and biological *** this review,we discuss the bioactive substances secreted by MsCs depending on the microenvironment and biological behavior and their regulatory mechanisms,which explain their potential to treat human diseases,to provide new ideas for further research and clinical cell-free therapy.

关键词： Bioactive behavior Mesenchymal stem cells Microenvironment Paracrine Secretome

Photoswitchable Spiropyridine Enabled Photoactuation of Polymeric Hydrogels under Physiological pH Conditions

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Chinese Journal of Polymer Science 2024年第10期42卷 1602-1609,I0015页

作者： Cong liao Meng-Qi Du Chuang li Key Laboratory of Precision and Intelligent Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaAnhui230026China

The incorporation of molecular switches into polymer networks has been a powerful approach for the development of functional polymer materials that display macroscopic actuation and function enabled directly by molecular ***,such materials sometimes require harsh conditions to perform their functions,and the design of new molecular photoswitches that can function under physiological conditions is highly ***,we report the design and synthesis of a spiropyridine-based photoswitchable hydrogel that exhibits light-driven actuation at physiological *** to its high p Ka,spiropyridine maintains its ring-open protonated form at neutral pH,and the resulting hydrogel remains in a swollen *** irradiation with visible light,the ring closure of spiropyridine leads to a decrease in the charge and a reduction in the volume of the *** contracted gel could spontaneously recover to its expanding state in the dark,and this process is highly dynamic and reversible when the light is switched on and ***,the hydrogel shows switchable fluorescence in response to visible *** deformation is observed in the hydrogel thin films upon irradiation from one ***,the independence of this spiropyridine hydrogel from the acidic environment makes it biotolerant and shows excellent *** biocompatible spiropyridine hydrogel might have important biorelated applications in the future.

关键词： Spiropyridine photowitch Polymer hydrogel Photoactuation Physiological pH Biocompatibility

Efficient enrichment and selective recovery of rare earths from sulfate leachate of ion-adsorption type rare earth ore by extraction with HPOAc

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Journal of Rare Earths 2024年第11期42卷 2156-2165页

作者： Jinglu Han Yanling li Songsong li Wuping liao State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of Sciences School of Applied Chemistry and Engineering University of Science and Technology of China Ganjiang Innovation Academy Chinese Academy of Sciences

The efficient enrichment and separation of rare earth elements（REEs） from sulfate leachates of ionadsorption type rare earth ore（IATREO） is still a *** work presents a novel extractant 2-(bis(（2-ethylhexyl）oxy)phosphoryl)-2-hydroxyacetic acid（HPOAc） for the selective extraction and efficie nt enrichment of REEs from sulfate leachates of *** exhibits higher extraction ability for all fifteen REEs（Ⅲ） than naphthenic acid（NA） at pHini=1,***,it has no drawbacks of di-（2-ethylhexyl） phosphoric acid（P204） and 2-ethylhexyl phosphoric acid mono-2-ethylhexylester（P507）such as weak extraction ability towards light REEs（Ⅲ） and high stripping acidity for heavy REEs（Ⅲ）.It has better separation performance for metal ion impurities than P204 and P507,especially for the typical impurity Al（Ⅲ）.Furthermore,the HPOAc system has better phase separation behavior and extraction pheno mena.A simulated operation with two-stage counte r-current extraction and single-stage stripping of REEs was carried out using unsaponified *** recovery of REEs reaches 98.7%.The concentration of REEs increases from 0.44 to 130.35 g/L,indicating a nearly 300-fold ***,the content of REEs increases from 77.8 wt% to 97.6 wt%.So HPOAc has the potential to selectively recover REEs from sulfate leachates of IATREO.

关键词： Enrichment Extractants Rare earths Separation Solvent extraction

车身内腔电泳膜厚的精确计算及工艺孔的影响研究

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中国公路学报 2017年第1期30卷 142-149页

作者：聂昕李奥许冰廖毅湖南大学汽车车身先进设计制造国家重点实验室湖南长沙410082 上汽通用五菱汽车股份有限公司广西柳州545007

针对车身内腔电泳膜厚不足导致生锈,而传统试错方法耗费大量成本、电泳工艺开孔缺乏科学依据等问题,提出了一种能实现车身电泳工艺孔正向设计的新方法——基于电泳仿真的区域分析法。首先基于法拉第电沉积理论,获取电泳过程中的电场、... 详细信息

针对车身内腔电泳膜厚不足导致生锈,而传统试错方法耗费大量成本、电泳工艺开孔缺乏科学依据等问题,提出了一种能实现车身电泳工艺孔正向设计的新方法——基于电泳仿真的区域分析法。首先基于法拉第电沉积理论,获取电泳过程中的电场、流场信息,搭建电泳电化学仿真环境,建立电泳过程数学模型;构建电泳基础试验模型及其仿真模型,通过试验和仿真结果对比以及参数迭代修正,反求得到对涂料沉积量影响较大的基本沉积参数数值;基于工程上对车身电泳关键区域的划分,确定大梁局部区域典型3层钣金结构为研究对象,构建了大梁局部区域简化结构的电泳电化学全耦合仿真模型,并验证了该模型的准确性。在此基础上,以工艺孔形状、大小为变量,以电化学分析为手段进行研究发现:开孔形状对电泳膜厚几乎无影响,而开孔面积对电泳膜厚有较大影响,分析得到膜厚衰变的数值规律,导出了大梁区域内腔电泳膜厚的安全系数。通过对加强板上双孔叠加效果的分析,进一步推导出该区域孔间距设计的安全系数。最后将量化的研究结果应用于某车大梁区域的结构更改,成功解决了该区域内腔生锈问题。

关键词：汽车工程车身电泳电化学仿真电泳工艺孔区域分析

Analysis of multi-objective optimisation method for main insulation structure configuration scheme of valve-side winding of ultra-high voltage converter transformer considering multi-field coupling

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High Voltage 2024年第2期9卷 296-308页

作者： lijun Yang Zhidong Cheng li Cheng Ruijin liao State Key Laboratory of Power Transmission Equipment Technology School of Electrical EngineeringChongqing UniversityChongqingChina

Because DC conductivities of oil-paper materials can be easily affected by electric field and temperature,the electrical properties under electro-thermal coupling of oil-paper materials should be considered when optimising the insulation structure of valve-side winding of the converter *** on the finite element multi-physical field coupling simulation,the multi-objective optimisation of main insulation structure of valve-side winding is carried *** view of the high time consuming of multi-physical field calculation and the actual needs of an insulation structure optimisation,the Kriging method and technique for order preference by similarity to the ideal solution(TOPSIS)method are introduced,and combines them with NSGA-II to obtain a joint algorithm that can be used for the optimisation of insulation structure of the converter *** using the joint algorithm of multi-objective optimisation,the insulation structure configuration scheme of valve-side winding is *** can be seen from the experiment result that,on the one hand,the joint algorithm adopted can obtain the insulation structure configuration scheme that meets the design *** the other hand,when facing the configuration scheme optimisation under multi-field coupling,the computational time required by this method is only 0.15%of that required by original genetic algorithm.

关键词： converter insulation coupling

Cyclic-acyclic monomers metathesis polymerization to access photodegradable polydicyclopentadiene and polyethylene-like materials

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Science China Chemistry 2024年第4期67卷 1311-1315页

作者： Wu li Daohong liao Yougui li Guifu Si Changle Chen School of Chemistry and Chemical Engineering Hefei University of TechnologyHefei 230009China Key Laboratory of Precision and Intelligent Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China

The development of degradable and recyclable polymers is an attractive strategy to tackle the post-consumption pollution issue of commercial ***-acyclic monomers metathesis polymerization(CAMMP)has been recently reported to produce degradable thermoset,thermoplastic and elastomeric polymers,and their degradability is enabled with addition of various *** this contribution,we demonstrate that the utilization of diene comonomers containing photodegradable moiety can give access to thermoset and thermoplastic materials bearing photo-degradation *** copolymerization of a series easily accessible diene comonomers bearing photodegradable ortho-nitrobenzyl moieties with dicyclopentadiene(DCPD)or cyclooctene(COE)leads to the formation of photodegradable p DCPD thermosets and p COE thermoplastic polymers with mechanical properties comparable to their non-degradable *** importantly,their photo-degradation properties can be efficiently tuned with the addition of ultraviolet absorber during in-situ polymerization.

关键词： metathesis polymerization photodegradable polydicyclopentadiene polyethylene-like materials

Anti-skin-aging effect of fish gelatin from Cynoscion acoupa by maintaining collagen matrix homeostasis on D-galactose induced aging mice

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Food Science and Human Wellness 2024年

作者： Jianxin Tian Jingru liao Biluan Zhong Pan li Xiaoqian liu bing Du Guanzhan Fish Maw Nutrition and Security Research Center， College of Food Science， South China Agricultural University Guangdong Shenzhiyuan Health Technology Co.， Ltd.

Delaying skin-aging through diet is a hot research topic in recent years， but the anti-aging effects of fish gelatin and related mechanisms are not well understood. In this study， we prepared edible fish gelatin from the swim bladder of Cynoscion acoupa using three different processing methods， namely dried (DCM)， soaked (SCM) and instanted (ICM)， to investigate its anti-aging effects and mechanisms on D-galactose induced skin aging in mice， as well as its effects on the gut microbiota. The results demonstrated that fish gelatin significantly increased water content， collagen， hyaluronic acid (HA) and hyaluronic acid (HYP) content， and skin integrity of mice skin， as well as enhanced the antioxidative ability and anti-inflammatory capacity of the skin. In terms of protein and mRNA expression levels in skin tissue， CMs treated with different treatments can up-regulate the expression of EGFR and TIMP1， down-regulating the expression of MMP1 and MMP3， and increase the expression of COL3A1 and COL1A2. CMs attenuated the D-galactose-mediated inhibition collagen expression by stimulating the TGF-β/Smad signaling pathway， thereby maintaining collagen matrix homeostasis. In addition， we revealed that CMs reversed gut micribiota by increase the abundance of intestinal flora. In conclusion， we demonstrated that CMs， especially for ICM， as an effective dietary supplement， have potential anti-aging and skin health benefits.

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