35 results on '"Shi, Lanlan"'
Search Results
2. The co-regulation of the gut microbiome and host genes might play essential roles in metformin gastrointestinal intolerance
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Zhang, Huixiang, Lai, Jiao, Zhang, Lihuan, Zhang, Wei, Liu, Xun, Gong, Qilin, Tian, Hongxi, Yang, Mingzhi, Yang, Tao, Zhao, Rui, Li, Dongqing, Huang, Hehua, Zhao, Ya, Yan, Shan, Yu, Ming, Xiyang, Yanbin, Shi, Lanlan, Yang, Lirong, Wang, Limei, Chen, Weiwen, and Cao, Xue
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- 2023
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3. Nitrogen isotope evidence for Earth’s heterogeneous accretion of volatiles
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Shi, Lanlan, Lu, Wenhua, Kagoshima, Takanori, Sano, Yuji, Gao, Zenghao, Du, Zhixue, Liu, Yun, Fei, Yingwei, and Li, Yuan
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- 2022
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4. Modulating the d‑Band Center of Palladium via Ethylene Glycol Modification: Accelerating Had Desorption for Enhanced Formate Electrooxidation.
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Tang, Zheng, Shi, Lanlan, Zhang, Kaixin, Zhang, Feike, Sun, Yanfei, Wang, Xiaoxuan, Yao, Yebo, Liu, Xia, Wang, Dewei, Xie, Jiangzhou, Yang, Zhiyu, and Yan, Yi-Ming
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- 2024
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5. Cu-Modified Palladium Catalysts: Boosting Formate Electrooxidation via Interfacially OHad-Driven Had Removal.
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Tang, Zheng, Li, Yongjia, Shi, Lanlan, Zhang, Kaixin, Ji, Yingjie, Wang, Xiaoxuan, Yao, Yebo, Liu, Xia, Wang, Dewei, Nie, Kaiqi, Xie, Jiangzhou, Yang, Zhiyu, and Yan, Yi-Ming
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- 2024
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6. Research on indoor positioning algorithm based on location fingerprint and PDR
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Wu Yaqin, Yang Shuo, and Shi Lanlan
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indoor positioning ,position fingerprint ,pedestrian dead reckoning ,fusion algorithm ,Engineering geology. Rock mechanics. Soil mechanics. Underground construction ,TA703-712 ,Mining engineering. Metallurgy ,TN1-997 - Abstract
To improve the indoor positioning accuracy, the methods of position fingerprint and pedestrian dead reckoning (PDR) are used to study the indoor positioning algorithm.For position fingerprint algorithm, the fingerprint database is optimized through the offline data training phase, and the optimization of the nearest neighbor algorithm is carried out by limiting the region weighted value K through the online real-time matching phase.For PDR algorithm, the self-adaptation peak detection algorithm used for step frequency detection is proposed.The improved nonlinear model is used for step size estimation.Moreover, The gyroscope's information are fused to magnetometer's information in the heading estimation.Finally, the unscented Kalman filter is used to fuse the position fingerprint algorithm and PDR method, which improves the positioning accuracy and the practicability of the fusion algorithm is verified by the positioning system.
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- 2019
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7. Enhanced intermolecular interactions to improve twisted polymer photovoltaic performance
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An, Cunbin, Xin, Jingming, Shi, Lanlan, Ma, Wei, Zhang, Jianqi, Yao, Huifeng, Li, Sunsun, and Hou, Jianhui
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- 2019
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8. Interfacial Hydrogen Spillover on Pd-TiO2 with Oxygen Vacancies Promotes Formate Electrooxidation.
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Tang, Zheng, Li, Yongjia, Zhang, Kaixin, Wang, Xiaoxuan, Wang, Shiyu, Sun, Yanfei, Zhang, Huiying, Li, Shuyuan, Wang, Jinrui, Gao, Xueying, Hou, Zishan, Shi, Lanlan, Yuan, Zhi, Nie, Kaiqi, Xie, Jiangzhou, Yang, Zhiyu, and Yan, Yi-Ming
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- 2023
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9. Constructing a Triangle Ensemble of Pt Clusters for Enhanced Direct-Pathway Electrocatalysis of Formic Acid Oxidation.
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Li, Cheng, Tang, Zheng, Shi, Lanlan, Li, Yongjia, Ji, Yingjie, Zhang, Kaixin, Yang, Zhiyu, and Yan, Yi-Ming
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OXIDATION of formic acid ,ELECTROCATALYSIS ,CATALYST selectivity ,FORMIC acid ,ACID catalysts ,ELECTRONIC structure ,PHOTOCATHODES ,TRIANGLES - Abstract
The pursuit of operational advancements in direct formic acid fuel cells (DFAFCs) necessitates the development of high-performance platinum (Pt)-based catalysts for formic acid electrooxidation (FAOR). However, FAOR on Pt-based catalysts follows a dual pathway mechanism, in which the direct pathway is a preferred route due to its efficient dehydrogenation process. Conversely, the indirect pathway results in the generation of adsorbed CO species, a process that deleteriously poisons the active sites of the catalyst, with CO species only being oxidizable at higher potentials, causing a significant compromise in catalyst performance. Herein, we have successfully synthesized Pt-C
3 N4 @CNT, where three Pt clusters are precisely dispersed in a triplet form within the C3 N4 by virtue of the unique structure of C3 N4 . The mass activity for the direct pathway (0.44 V) delivered a current density of 1.91 A mg Pt − 1 , while the indirect pathway (0.86 V) had no obvious oxidation peak. The selectivity of Pt-C3 N4 @CNT catalysts for the direct pathway of FAOR was improved due to the special structure of C3 N4 , which facilitates the dispersion of Pt tri-atoms in the structure and the electronic interaction with Pt. In this study, we provide a new strategy for the development of highly active and selective catalysts for DFAFCs. [ABSTRACT FROM AUTHOR]- Published
- 2023
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10. Modulating the Interfacial Water Network of Dual-Site Pd/FeOx/C Catalyst for Efficient Formate Electrooxidation.
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Li, Yongjia, Zhang, Kaixin, Ji, Yingjie, Tang, Zheng, Yao, Yebo, Liu, Xia, Wang, Dewei, Wang, Xiaoxuan, Shi, Lanlan, Nie, Kaiqi, Yang, Zhiyu, Xie, Jiangzhou, and Yan, Yi-Ming
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- 2023
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11. Some neutrosophic uncertain linguistic number Heronian mean operators and their application to multi-attribute group decision making
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Liu, Peide and Shi, Lanlan
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- 2017
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12. Aconiti lateralis Radix Praeparata inhibits Alzheimer’s disease by regulating the complex regulation network with the core of GRIN1 and MAPK1
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Wang Yutao, Zhang Huixiang, Yan Shan, You Dingyun, Ming Yu, Cao Xue, Wu Hongxiang, Jing Wang, Lihuan Zhang, Zhang Qianqian, Wang Limei, and Shi Lanlan
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aminophenol ,Cell ,Pharmaceutical Science ,Context (language use) ,Traditional Chinese medicine ,Pharmacology ,030226 pharmacology & pharmacy ,01 natural sciences ,03 medical and health sciences ,0302 clinical medicine ,Fuzi ,Drug Discovery ,Medicine ,Radix ,Viability assay ,MAPK1 ,therapy ,biology ,business.industry ,GRIN1 ,APP cells ,General Medicine ,0104 chemical sciences ,010404 medicinal & biomolecular chemistry ,medicine.anatomical_structure ,Complementary and alternative medicine ,Apoptosis ,biology.protein ,Molecular Medicine ,business ,Research Article - Abstract
Context Current medicine for Alzheimer's disease (AD) cannot effectively reverse or block nerve injury. Traditional Chinese Medicine practice and research imply Aconiti lateralis Radix Praeparata (Fuzi) may meet this goal. Objective Analysing the anti-AD effect of Fuzi and its potential molecular mechanism. Materials and methods AD model cells were treated with Fuzi in 0-300 mg/mL for 24 h in 37 °C. The cell viability (CV) and length of cell projections (LCP) for each group were observed, analysed, and standardised using control as a baseline (CVs and LCPs). The Fuzi and AD relevant genes were identified basing on databases, and the molecular mechanism of Fuzi anti-AD was predicted by network analysis. Results Experiment results showed that Fuzi in 0.4 mg/mL boosted LCP (LCPs = 1.2533, p ≤ 0.05), and in 1.6-100 mg/mL increased CV (CVs from 1.1673 to 1.3321, p ≤ 0.05). Bioinformatics analysis found 17 Fuzi target genes (relevant scores ≥ 20), showing strong AD relevant signals (RMS_p ≤ 0.05, related scores ≥ 5), enriched in the pathways regulating axon growth, synaptic plasticity, cell survival, proliferation, apoptosis, and death (p ≤ 0.05). Especially, GRIN1 and MAPK1 interacted with APP protein and located in the key point of the "Alzheimer's disease" pathway. Discussion and conclusions These results suggest that Fuzi may have therapeutic and prevention potential in AD, and GRIN1 and MAPK1 may be the core of the pathways of the Fuzi anti-AD process. Fuzi should be studied more extensively, especially for the prevention of AD.
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- 2021
13. Gut microbiota and differential genes-maintained homeostasis is key to maintaining health of individuals with Yang-deficiency constitution
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ZHANG, Huixiang, WANG, Limei, GUO, Jipeng, WANG, Jiai, ZHANG, Qianqian, WANG, Yutao, LIU, Xun, ZHANG, Lihuan, SHI, Lanlan, WU, Hongxiang, and CAO, Xue
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Yang Deficiency ,RNA, Ribosomal, 16S ,Homeostasis ,Humans ,Research Articles ,Gastrointestinal Microbiome - Abstract
OBJECTIVE: Yang-deficiency constitution (YADC) is a common unbalanced constitution that predisposes individuals to certain diseases. However, not all people with YADC manifest develop diseases. This calls for delineation of the underlying molecular mechanisms. Previous studies suggested that the gut microbiota and gene differential expression should be considered. METHODS: In the present study, we compared profiles of gut microbiota between four healthy YADC individuals and those of five healthy balanced constitution (BC) counterparts, based on 16S rRNA gene sequence analysis. Furthermore, YADC relevant genes identified by comparing 62 healthy YADC and 58 healthy BC individuals in total to perform intersection analysis, functional clustering and pathway enrichment analyses. RESULTS: The levels of harmful gut microbiota (Prevotellaceae, LDA score > 4.0, P = 0.0141) and beneficial gut microbiota (Ruminococcaceae, LDA score > 4.0, P = 0.0025, Faecalibacterium, LDA score > 4.0, P = 0.0484) were both elevated in healthy YADC individuals. Also, we found that the specific metabolic pathway with 2, 6-Dichloro-p-hydroquinone 1, 2-Dioxygenase (PcpA) as the core in gut microbiota and the glutathione transferase activity has been enriched by YADC relevant genes in healthy YADC individuals were both responsible for the detoxification of halogenated aromatic hydrocarbon substances. CONCLUSIONS: Both beneficial and harmful factors had been detected in healthy YADC individuals, functionally, they may have triggered homeostasis to maintain the health of individuals with YADC. The homeostasis may be maintained by beneficial and harmful factors from gut flora and genes. Future studies are expected to focus on halogenated aromatic hydrocarbons and their detoxification processes.
- Published
- 2021
14. The generalized hybrid weighted average operator based on interval neutrosophic hesitant set and its application to multiple attribute decision making
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Liu, Peide and Shi, Lanlan
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- 2015
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15. Applications of the IAPWS-95 formulation in fluid inclusion and mineral-fluid phase equilibria
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Shi, Lanlan and Mao, Shide
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- 2012
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16. Thermodynamic modeling of binary CH 4–H 2O fluid inclusions
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Mao, Shide, Duan, Zhenhao, Zhang, Dehui, Shi, Lanlan, Chen, Yali, and Li, Jing
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- 2011
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17. Isolation, Characterization, and Depolymerization of l‐Cysteine Substituted Eucalyptus Lignin.
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Shi, Lanlan, Zhang, Tanhao, Zhou, Xin, Yao, Lu, Yang, Linjie, Yue, Fengxia, Lan, Wu, and Lu, Fachuang
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LIGNINS ,CYSTEINE ,LIGNIN structure ,DEPOLYMERIZATION ,EUCALYPTUS ,CONDENSATION reactions ,MONOMERS ,HYDROGENOLYSIS - Abstract
Lignin condensation reactions are hard to avoid or control during separation, which is a deterrent to lignin isolation and post‐conversation, especially for the full utilization of lignocelluloses. Selective protection of β‐aryl ether linkages in the isolation process is crucial to lignin valorization. Herein, a two‐step acid/alkali separation method assisted with l‐cysteine for eucalyptus lignin separation is developed, and the isolated l‐cysteine lignins (LCLs) are comprehensively characterized by 2D NMR, 31P NMR, thioacidolysis, etc. Compared to the two‐step control treatment, a much higher β‐O‐4 content is preserved without reducing the separation efficiency assisted by l‐cysteine, which is also significantly higher than alkali lignin and kraft lignin. The results of hydrogenolysis show that LCLs generate a much higher monomer yield than that of control sample. Structural analysis of LCLs suggests that lignin condensation reaction, to some extent, is suppressed by adding l‐cysteine during the two‐step acid/alkali separation. Further, mechanistic studies using dimeric model compound reveals that l‐cysteine may be the α‐carbon protective agent in the two‐step separation. The role of l‐cysteine in the two‐step lignin isolation method provides novel insights to the selective fractionation of lignin from biomass, especially for the full valorization of lignocellulosic biomass. [ABSTRACT FROM AUTHOR]
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- 2022
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18. Gut microbiota and differential genes-maintained homeostasis is key to maintaining health of individuals with Yang-deficiency constitution.
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ZHANG Huixiang, WANG Limei, GUO Jipeng, WANG Jiai, ZHANG Qianqian, WANG Yutao, LIU Xun, ZHANG Lihuan, SHI Lanlan, WU Hongxiang, and CAO Xue
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- 2022
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19. Profiling of the formation of lignin-derived monomers and dimers from Eucalyptus alkali lignin.
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Zhao, Chengke, Hu, Zhenhua, Shi, Lanlan, Wang, Chen, Yue, Fengxia, Li, Suxiang, Zhang, Han, and Lu, Fachuang
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EUCALYPTUS ,HARDWOODS ,LIGNIN structure ,MONOMERS ,CHEMICAL processes ,DIMERS ,PULPING ,CHEMICAL industry - Abstract
Lignin is a renewable and the most abundant aromatic source that can be used for extensive chemicals and materials. Although approximately 50 million tons of lignin are produced annually as a by-product of the pulp and paper industry, it is currently underutilized. It is important to know the structural features of technical lignin when considering its application. In this work, we have demonstrated the formation of low-molecular-weight constituents from hardwood (Eucalyptus) lignin, which produces much more low-molecular-weight constituents than softwood (spruce) lignin, after a chemical pulping process, and analyzed the micromolecular compositions in the alkali lignin after fractionation by dichloromethane (DCM) extraction. By applying analytical methods (gel-permeation chromatography, 2D NMR and GC-MS) with the aid of evidence from authenticated compounds, a great treasure trove of lignin-derived phenolic compounds from Eucalyptus alkali lignin were disclosed. Except for some common monomeric products, as many as 15 new lignin-derived monomers and dimers including syringaglycerol, diarylmethane, 1,2-diarylethanes, 1,2-diarylethenes, (arylvinyl ether)-linked arylglycerol dimers and isomeric syringaresinols were identified in the DCM-soluble fraction. Regarding the formation and evolution of the Cα-condensed β-aryl ether structure, a novel route that is potentially responsible for the high content of β-1 diarylethenes and diarylethanes in the lignin low-molecular-weight fraction, in addition to the β-1 (spirodienone) pathway, was proposed. This work not only provides novel insights into the chemical transformation of S–G lignin during the alkali pulping process, but also discovered lignin-derived phenolic monomers and dimers that can potentially be used as raw materials in the chemical or pharmaceutical industries. [ABSTRACT FROM AUTHOR]
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- 2020
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20. Naphthalene Structures Derived from Lignins During Phenolation.
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Li, Suxiang, Shi, Lanlan, Wang, Chen, Yue, Fengxia, and Lu, Fachuang
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LIGNIN structure ,LIGNANS ,LIGNINS ,NAPHTHALENE ,NUCLEAR magnetic resonance spectroscopy ,GUAIACOL ,ALKALIES - Abstract
Phenolation is a commonly used method to improve the reactivity of lignin for various applications. In this study, resinol lignin models (syringaresinol and pinoresinol) and eucalyptus alkali lignin were treated under acid‐catalyzed phenolation conditions to investigate the products derived from resinol (β–β) structures of lignins. The phenolation products were characterized by means of GC‐MS and NMR spectroscopy following separation using flash chromatography and thin‐layer chromatography. A series of new naphthalene products were identified from phenolation of syringaresinol, and the corresponding guaiacyl analogs were also identified by GC‐MS. The C1−Cα bond of these resinol compounds was cleaved to release syringol or guaiacol during phenolation. In addition, diphenylmethane products formed from phenol or phenol and syringol/guaiacol were found in the phenolation products. Comparatively, more naphthalene products were obtained by phenolation from syringaresinol than those obtained from pinoresinol. HSQC NMR characterization of the phenolated alkali lignin revealed that naphthalene structures formed in the phenolated lignin. [ABSTRACT FROM AUTHOR]
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- 2020
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21. The Crucial Role of Chlorinated Thiophene Orientation in Conjugated Polymers for Photovoltaic Devices.
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Wu, Yanan, An, Cunbin, Shi, Lanlan, Yang, Liyan, Qin, Yunpeng, Liang, Ningning, He, Chang, Wang, Zhaohui, and Hou, Jianhui
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PHOTOVOLTAIC cells ,THIOPHENES ,POLYCHLOROETHYL methacrylates ,SOLAR cells ,POLYMERS - Abstract
Abstract: Chlorinated conjugated polymers not only show great potential for the realization of highly efficient polymer solar cells (PSCs) but also have simple and high‐yield synthetic routes and low‐cost raw materials available for their preparation. However, the study of the structure–property relationship of chlorinated polymers is lagging. Now two chlorinated conjugated polymers, PCl(3)BDB‐T and PCl(4)BDB‐T are investigated. When the polymers were used to fabricate PSCs with the nonfullerene acceptor (IT‐4F), surprisingly, the PCl(3)BDB‐T:IT‐4F‐based device exhibited a negligible power conversion efficiency (PCE) of 0.18 %, while the PCl(4)BDB‐T:IT‐4F‐based device showed an outstanding PCE of 12.33 %. These results provide new insight for the rational design and synthesis of novel chlorinated polymer donors for further improving the photovoltaic efficiencies of PSCs. [ABSTRACT FROM AUTHOR]
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- 2018
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22. Thermodynamic modeling of binary CH4–CO2 fluid inclusions.
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Mao, Shide, Shi, Lanlan, Peng, Qiongbin, and Lü, Mengxin
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FREE energy (Thermodynamics) , *VAPOR-liquid equilibrium , *FLUID inclusions , *PHASE equilibrium , *EQUATIONS of state , *HELMHOLTZ equation - Abstract
An equation of state (EOS) explicit in Helmholtz free energy has been improved to calculate the PVTx and vapor–liquid phase equilibrium properties of CH 4 –CO 2 fluid mixture. This EOS, where four mixing parameters are used, is based on highly accurate EOSs recommended by NIST for pure components (CH 4 and CO 2 ) and contains a simple generalized departure function presented by Lemmon and Jacobsen (1999). Comparison with experimental data available indicates that the EOS can calculate both vapor–liquid phase equilibrium and volumetric properties of this binary fluid system with accuracy close to that of experimental data up to high temperature and pressure within full range of composition. The EOS of CH 4 –CO 2 fluid, together with the updated Gibbs free energy model of solid CO 2 (dry ice), is applied to calculate the CH 4 content ( x CH4 ) and molar volume ( V m ) of the CH 4 –CO 2 fluid inclusion based on the assumption that the volume of an inclusion keeps constant during heating and cooling. V m − x CH 4 diagrams are presented, which describe phase transitions involving vapor, liquid and CO 2 solid phases of CH 4 –CO 2 fluid inclusions. Isochores of CH 4 –CO 2 inclusions at given x CH 4 and V m can be easily calculated from the improved EOS. [ABSTRACT FROM AUTHOR]
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- 2016
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23. Characterization of potential cellulose fiber from cattail fiber: A study on micro/nano structure and other properties.
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Wu, Shanshan, Zhang, Jinlong, Li, Chuangye, Wang, Fuli, Shi, Lanlan, Tao, Mengxue, Weng, Beibei, Yan, Bin, Guo, Yong, and Chen, Yuxia
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CELLULOSE fibers , *TYPHA , *FOURIER transform infrared spectroscopy , *LIGNIN structure , *LIGNANS , *PROSPECTING , *FIBERS , *TRANSMISSION electron microscopy - Abstract
Exploration of the application prospects of cattail fibers (CFs) in natural composites, and other fields is important for the sustainable development of new, green, light-weight, functional biomass materials. In this study, the physical and chemical properties, micro/nano structure, and mechanical characteristics of CFs were investigated. The CFs have a low density (618.0 kg m−3). The results of transmission electron microscopy and tensile testing data indicated that the cattail trunk fiber (CTF) bundle is composed of parenchyma cells and solid stone cells, demonstrating high specific modulus (10.1 MPa∙m3·kg−1) and high elongation at break (3.9%). In turn, the cattail branch fiber (CBF) bundle is composed of parenchyma cells with specific "half-honeycomb" shape. The inner diaphragms divide these cells into the open cavities. This structural feature endows the CTF bundles with stable structure, good oil absorption and storage capacities. The chemical component and the Fourier transform infrared spectroscopy analyses show that the CFs have higher lignin content (20.6%) and wax content (11.5%), which are conducive to the improvement of corrosion resistance, thermal stability and lipophilic–hydrophobic property of CF. Finally, the thermogravimetric analysis indicates that its final degradation temperature is 404.5 °C, which is beneficial to the increase in processability of CFs-reinforced composites. • The cattail fiber (CF) has lower density and multi-cavity structure. • Higher wax content endows CF with lipophilic-hydrophobic potential. • The cattail branch fiber (CBF) has "half-honeycomb" shape and inner diaphragms. • The CBF structural feature gives CF stable structure and good oil storage capacities. • The cattail trunk fiber bundles exhibit excellent mechanical properties. [ABSTRACT FROM AUTHOR]
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- 2021
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24. Characterization of potential cellulose fiber from Luffa vine: A study on physicochemical and structural properties.
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Cheng, Dao, Weng, Beibei, Chen, Yuxia, Zhai, Shengcheng, Wang, Chenxin, Xu, Runmin, Guo, Junkui, Lv, Yan, Shi, Lanlan, and Guo, Yong
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CELLULOSE fibers , *THERMOPLASTIC composites , *CELLULOSE nanocrystals , *FOURIER transform infrared spectroscopy , *LIGHTWEIGHT materials , *NATURAL fibers , *COMPOSITE materials - Abstract
The purpose of this study is to investigate the natural Luffa vine (LV) fiber to be effectively used as cellulose fiber reinforcing material for lightweight and decay-resistance composite materials. The physical, chemical, thermal, and morphological properties of the LV fibers, together with their microstructure are investigated. The test results conclude that the LV density, microscopic characteristics, and mechanical properties show that this crop is a lightweight (200–550 kg/m3) natural fiber with a porous structure and a high specific modulus (1.18–2.04 MPa∙ m3/kg). The chemical, X-ray diffraction and the Fourier transform infrared spectroscopy analyses indicate that the LV has a high lignin content (25.18%) and a relatively high relative crystallinity (37.18%) of cellulose, and it contains saponins, which increase its erosion resistance and hardness. The thermogravimetric analysis reveals that the fibers can stand up to 315.4 °C. Moreover, due to their kinetic activation energy of 63.9 kJ/mol, they can be used as reinforcement materials in thermoplastic green composites with a working temperature below 300°. • Luffa vine (LV) have a multi-level porous structure and a high specific modulus. • The presence of saponins help LV develop corrosion-resistant composites. • The LV lignin is mostly guajacyl lignin and only a small amount of syringyl lignin. • The LV thermal properties meet to a working temperature of composites below 300 °C. [ABSTRACT FROM AUTHOR]
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- 2020
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25. Thermodynamic modeling of binary CH4–H2O fluid inclusions
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Mao, Shide, Duan, Zhenhao, Zhang, Dehui, Shi, Lanlan, Chen, Yali, and Li, Jing
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FLUID inclusions , *METHANE , *WATER , *THERMODYNAMICS , *NUMERICAL calculations , *PHASE equilibrium , *TEMPERATURE effect , *VAPOR-liquid equilibrium - Abstract
Abstract: This work reports the application of thermodynamic models, including equations of state, to binary (salt-free) CH4–H2O fluid inclusions. A general method is presented to calculate the compositions of CH4–H2O inclusions using the phase volume fractions and dissolution temperatures of CH4 hydrate. To calculate the homogenization pressures and isolines of the CH4–H2O inclusions, an improved activity–fugacity model is developed to predict the vapor–liquid phase equilibrium. The phase equilibrium model can predict methane solubility in the liquid phase and water content in the vapor phase from 273 to 623K and from 1 to 1000bar (up to 2000bar for the liquid phase), within or close to experimental uncertainties. Compared to reliable experimental phase equilibrium data, the average deviation of the water content in the vapor phase and methane solubility in the liquid phase is 4.29% and 3.63%, respectively. In the near-critical region, the predicted composition deviations increase to over 10%. The vapor–liquid phase equilibrium model together with the updated volumetric model of homogenous (single-phase) CH4–H2O fluid mixtures (Mao S., Duan Z., Hu J. and Zhang D. (2010) A model for single-phase PVTx properties of CO2–CH4–C2H6–N2–H2O–NaCl fluid mixtures from 273 to 1273K and from 1 to 5000bar. Chem. Geol. 275, 148–160), is applied to calculate the isolines, homogenization pressures, homogenization volumes, and isochores at specified homogenization temperatures and compositions. Online calculation is on the website: http://www.geochem-model.org/. [Copyright &y& Elsevier]
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- 2011
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26. Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties
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Mao, Shide, Duan, Zhenhao, Hu, Jiawen, Zhang, Zhigang, and Shi, Lanlan
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HELMHOLTZ equation , *GIBBS' free energy , *THERMODYNAMICS , *MOLECULAR dynamics , *SIMULATION methods & models , *DATA analysis - Abstract
Abstract: The IAPWS-95 formulation explicit in Helmholtz free energy proposed by Wagner and Pruß (The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use, Journal of Physical and Chemical Reference Data 2002 31(2), 387–535) is extended to calculate the volumetric property of the fluid water from 1GPa and 273K to 20GPa and 4273K. Comparison with large experimental and molecular dynamic simulation data above 1GPa shows that the equation of state can reproduce the volume of the fluid water with an average absolute deviation of 0.52%. Thus the original IAPWS-95 formulation together with the extended part can be used in a much larger temperature–pressure region: 273–4273K and 0–20GPa. In addition, this paper also reports a reliable and highly efficient method to calculate the saturated properties of water so that the equation of state can be conveniently applied in the study of fluid inclusion: calculating homogenization pressures, homogenization densities (or molar volumes) and isochores. Computer code of the model can be obtained from the first author. [Copyright &y& Elsevier]
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- 2011
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27. Ferulate-sinapyl alcohol cross-coupling reaction improves the understanding of grass cell wall lignification.
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Yang, Linjie, Lin, Minsheng, Zhang, Han, Wang, Chen, Shi, Lanlan, Lan, Wu, Zhang, Liming, Yue, Fengxia, and Lu, Fachuang
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LIGNIFICATION , *ALCOHOL , *ESTERS , *FREE radicals , *DIMERS , *GRASSES - Abstract
[Display omitted] • Two SA and FA cross-coupled dimers, SA-(β–O–4)-FA and α, β de-protonated SA-(β–5)-FA, were identified for the first time in vitro. • The yield of homo-coupled β–O–4 of SA was lower than 5%, which was overestimated in previous reports. • A tetrahydrofuran β–β coupled dehydrodimer of SA was discovered. During the lignification of grass cell walls, ferulate acts like a nucleation site that can cross couple with monolignols, i.e. coniferyl alcohol and sinapyl alcohol, to form dimeric products. Here we investigated in detail the ferulate-sinapyl alcohol cross-coupling products in an effort on better understanding the nature and scope of lignin-ferulate interactions. In a biomimetic oxidative system, sinapyl alcohol (SA) reacted with ethyl ferulate (FA), a simplified model for feruloyl polysaccharides in plants, to give a mixture of dozens of dimeric products. We delineated the structure of each product by GC-MS and NMR characterizations. It was found that sinapyl alcohol readily reacts with ethyl ferulate producing various cross-coupled dimers including SA-(β–5)-FA (compound 6), SA-(β–8)-FA (both ester and lactones, compounds 7 and 9), and SA-(β–O–4)-FA (compound 8) cross-coupled products in addition to homo-coupled products from ethyl ferulate or sinapyl alcohol. SA-(β–O–4)-FA 8 was identified for the first time in a vitro free radical biomimetic system and the homo-coupled SA-(β–O–4)-SA 3 from sinapyl alcohol was accurately quantified as less than 5%, while the half-open syringaresinol 5 was discovered when dimerization of SA was catalyzed by peroxidase in a biomimetic buffer system. Moreover, one new compound 18 formed by the cross-coupled linkage SA-(β–5)-FA (de-protonated) was identified by GC-MS and NMR, and one possible FA-(8–β)-SA dimer 19* was proposed. [ABSTRACT FROM AUTHOR]
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- 2021
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28. Properties of Natural Luffa Vine as potential reinforcement for biomass composites.
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Weng, Beibei, Cheng, Dao, Guo, Yong, Zhai, Shengcheng, Wang, Chenxin, Xu, Runmin, Guo, Junkui, Lv, Yan, Shi, Lanlan, and Chen, Yuxia
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PLANT fibers , *NATURAL fibers , *CELLULOSE fibers , *COMPOSITE materials , *TRANSMISSION electron microscopy , *MICROSCOPY , *NANOINDENTATION , *LIGNANS - Abstract
• Luffa vine (LV) is a low-density natural plant fiber with a porous structure. • The secondary wall of LV fiber cell contains two layers with spiral thickening. • Sclerenchyma cell of LV exhibits excellent micromechanical properties. • The microscopic characteristics endow LV with good processability. • The pit pairs on cell walls provide good permeability to LV fibers. The exploration of luffa vine (LV) in the polymer composites field can contribute to the development of lightweight composites and expand their use in new wide scale applications. In this study, the physical and chemical properties and the microstructure of the LV fibers were investigated by various techniques. The results of LV density and microscopic characteristics indicated that this crop is a lightweight (with density mainly concentrated in 0.30–0.45 g cm−3) natural fiber with a porous structure (the ratio of wall to lumen: 0.2–0.3). Transmission electron microscopy and nanoindentation analyses showed that the secondary wall of the LV sclerenchyma cell is made up of two layers with spiral thickening and exhibiting a high nanoindentation modulus (7.8–10.4 GPa) and a high nanoindentation hardness (0.40–0.58 GPa). The chemical composition and X-ray diffraction analysis indicated that the LV has high lignin content (20–25%) and a relatively high relative crystallinity index of cellulose, which are conducive to increase the hardness of the LV fiber. Moreover, microscopic characteristics analysis also revealed that the LV fiber cells have a relatively high aspect ratio (30.3), there are pit pairs on the LV fiber cell walls, and the core fiber cells of the LV have relatively high flexibility coefficient (0.8), which are beneficial to increase the processability of composite materials with the LV fibers as reinforcement. [ABSTRACT FROM AUTHOR]
- Published
- 2020
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29. An essential role for sulfur in sulfide-silicate melt partitioning of gold and magmatic gold transport at subduction settings.
- Author
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Li, Yuan, Feng, Lu, Kiseeva, Ekaterina S., Gao, Zenghao, Guo, Haihao, Du, Zhixue, Wang, Fangyue, and Shi, Lanlan
- Subjects
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GOLD , *SULFUR , *CHROMITE , *ALKALI metals , *SUBDUCTION , *METALLIC oxides , *ELECTRON probe microanalysis , *SULFIDE minerals - Abstract
Sulfide-silicate melt partitioning controls the behavior of gold in magmas, which is critical for understanding the Earth's deep gold cycle and formation of gold deposits. However, the mechanisms that control the sulfide-silicate melt partitioning of gold remain largely unknown. Here we present constraints from laboratory experiments on the partition coefficient of gold between monosulfide-solid-solution (MSS) and silicate melt (D A u M S S / S M) under conditions relevant for magmatism at subduction settings. Thirty-five experiments were performed in Au capsules to determine D A u M S S / S M at 950-1050 °C, 0.5-3 GPa, oxygen fugacity (f O 2) of ∼FMQ-1.7 to FMQ+2.7 (FMQ refers to the fayalite-magnetite-quartz buffer), and sulfur fugacity (f S 2) of −2.2 to 2.1, using a piston cylinder apparatus. The silicate melt composition changes from dry to hydrous andesite to rhyolite. The results obtained from electron microprobe and laser-ablation ICP-MS analyses show that the gold solubility in silicate melts ranges from 0.01 to 55.3 ppm and is strongly correlated with the melt sulfur content [S] melt at f O 2 of ∼FMQ-1.7 to FMQ+1.6, which can be explained by the formation of complex Au-S species in the silicate melts. The gold solubility in MSS ranges from 130 to 2800 ppm, which is mainly controlled by f S 2. D A u M S S / S M ranges from 10 to 14000 at f O 2 of ∼FMQ-1.7 to FMQ+1.6, the large variation of which can be fully explained by combined [S] melt and f S 2. Therefore, all of the parameters that can directly affect [S] melt and f S 2 , such as alkali metals, water, FeO, and f O 2 , can indirectly affect D A u M S S / S M. The mechanisms that control the sulfide-silicate melt partitioning of gold and the other chalcophile elements, such as Ni, Re, and Mo, differ significantly. This is because gold is dissolved mainly as Au-S species in the silicate melts, while the other chalcophile elements are dissolved mainly as metal oxides in the silicate melts. Applying the correlation between D A u M S S / S M and [S] melt to slab melting and arc magmatic differentiation under different redox conditions, we find that ancient to modern slab melts carry negligible to less than 25% of the slab gold to the subarc mantle; however, gold-enrichment can occur in MSS-saturated arc magmas that have differentiated under moderately oxidized conditions with f O 2 between FMQ and FMQ+1.6, in particular if the magmatic crystallization follows a fractional crystallization model. We conclude that moderately oxidized magmas with high contents of alkali metals, sulfur, and water, owing to their low D A u M S S / S M and efficient magma-to-fluid transfer of gold and sulfur, have a high potential to form gold deposits. • MSS/silicate melt partition coefficient for Au (D A u M S S / S M) ranges from 10 to 14000. • D A u M S S / S M is a strong function of the melt sulfur content and sulfur fugacity. • Slab melts carry negligible to less than 25% of slab Au to the mantle wedge. • Au-enrichment can occur in MSS-saturated, moderately oxidized arc magmas. • Moderately oxidized, hydrous alkaline magmas have a high Au ore-forming potential. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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30. Interfacial Push-Pull Dynamics Enable Rapid H ad Desorption for Enhanced Formate Electrooxidation.
- Author
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Tang Z, Shi L, Dai N, Zhang F, Wang X, Wang S, Sun Y, Zhang H, Li S, Wang J, Gao X, Hou Z, Xie J, Yang Z, and Yan YM
- Abstract
The electrocatalytic conversion of formate in alkaline solutions is of paramount significance in the realm of fuel cell applications. Nonetheless, the adsorptive affinity of adsorbed hydrogen (H
ad ) on the catalyst surface has traditionally impeded the catalytic efficiency of formate in such alkaline environments. To circumvent this challenge, our approach introduces an interfacial push-pull effect on the catalyst surface. This mechanism involves two primary actions: First, the anchoring of palladium (Pd) nanoparticles on a phosphorus-doped TiO2 substrate (Pd/TiO2 -P) promotes the formation of electron-rich Pd with a downshifted d band center, thereby "pushing" the desorption of Had from the Pd active sites. Second, the TiO2 -P support diminishes the energy barrier for Had transfer from the Pd sites to the support itself, "pulling" Had to effectively relocate from the Pd active sites to the support. The resultant Pd/TiO2 -P catalyst showcases a remarkable mass activity of 4.38 A mgPd -1 and outperforms the Pd/TiO2 catalyst (2.39 A mgPd -1 ) by a factor of 1.83. This advancement not only surmounts a critical barrier in catalysis but also delineates a scalable pathway to bolster the efficacy of Pd-based catalysts in alkaline media.- Published
- 2024
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31. Modulating the d-Band Center of Palladium via Ethylene Glycol Modification: Accelerating H ad Desorption for Enhanced Formate Electrooxidation.
- Author
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Tang Z, Shi L, Zhang K, Zhang F, Sun Y, Wang X, Yao Y, Liu X, Wang D, Xie J, Yang Z, and Yan YM
- Abstract
This study addresses the critical challenge in alkaline direct formate fuel cells (DFFCs) of slow formate oxidation reaction (FOR) kinetics as a result of strong hydrogen intermediate (H
ad ) adsorption on Pd catalysts. We developed WO3 -supported Pd nanoparticles (EG-Pd/WO3 ) via an organic reduction method using ethylene glycol (EG), aiming to modulate the d-band center of Pd and alter Had adsorption dynamics. Cyclic voltammetry demonstrated significantly improved Had desorption kinetics in EG-Pd/WO3 catalysts. Density functional theory (DFT) calculations revealed that the presence of EG reduces the d-band center of Pd, leading to weaker Pd-H bonds and enhanced Had desorption during the FOR. This research provides a new approach to optimize catalyst efficiency in DFFCs, highlighting the potential for more effective and sustainable energy solutions through advanced material engineering.- Published
- 2024
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32. Cu-Modified Palladium Catalysts: Boosting Formate Electrooxidation via Interfacially OH ad -Driven H ad Removal.
- Author
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Tang Z, Li Y, Shi L, Zhang K, Ji Y, Wang X, Yao Y, Liu X, Wang D, Nie K, Xie J, Yang Z, and Yan YM
- Abstract
Direct formate fuel cells have gained traction due to their eco-friendly credentials and inherent safety. However, their potential is hampered by the kinetic challenges of the formate oxidation reaction (FOR) on Pd-based catalysts, chiefly due to the unfavorable adsorption of hydrogen species (H
ad ). These species clog the active sites, hindering efficient catalysis. Here, we introduce a straightforward strategy to remedy this bottleneck by incorporating Pd with Cu to expedite the removal of Pd-Had in alkaline media. Notably, Cu plays a pivotal role in bolstering the concentration of hydroxyl adsorbates (OHad ) on the surface of catalyst. These OHad species can react with Had , effectively unblocking the active sites for FOR. The as-synthesized catalyst of PdCu/C exhibits a superior FOR performance, boasting a remarkable mass activity of 3.62 A mg-1 . Through CO-stripping voltammetry, we discern that the presence of Cu in Pd markedly speeds up the formation of adsorbed hydroxyl species (OHad ) at diminished potentials. This, in turn, aids the oxidative removal of Pd-Had , leveraging a synergistic mechanism during FOR. Density functional theory computations further reveal intensified interactions between adsorbed oxygen species and intermediates, underscoring that the Cu-Pd interface exhibits greater oxyphilicity compared to pristine Pd. In this study, we present both experimental and theoretical corroborations, unequivocally highlighting that the integrated copper species markedly amplify the generation of OHad , ensuring efficient removal of Had . This work paves the way, shedding light on the strategic design of high-performing FOR catalysts.- Published
- 2024
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33. Modulating the Interfacial Water Network of Dual-Site Pd/FeO x /C Catalyst for Efficient Formate Electrooxidation.
- Author
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Li Y, Zhang K, Ji Y, Tang Z, Yao Y, Liu X, Wang D, Wang X, Shi L, Nie K, Yang Z, Xie J, and Yan YM
- Abstract
The rational design of electrocatalysts for formate oxidation reaction (FOR) in alkaline media is crucial to promote the practical applications of direct formate fuel cells (DFFCs). The FOR kinetic on palladium (Pd) based electrocatalysts is strongly hindered by unfavorably adsorbed hydrogen (H
ad ) as the major intermediate species blocking the active sites. Herein, we report a strategy of modulating the interfacial water network of dual-site Pd/FeOx /C catalyst to significantly enhance the desorption kinetics of Had during FOR. Aberration-corrected electron microscopy and synchrotron characterizations revealed the successful construction of Pd/FeOx interfaces on carbon support as a dual-site electrocatalyst for FOR. Electrochemical tests and in situ Raman spectroscopy results showed that Had could be effectively removed from the active sites of the as-designed Pd/FeOx /C catalyst. CO-stripping voltammetry and density functional theory calculations (DFT) demonstrated that the introduced FeOx could effectively accelerate the dissociative adsorption of water molecules on active sites, which accordingly generates adsorbed hydroxyl species (OHad ) to facilitate the removal of Had during FOR. This work provides a novel route to develop advanced FOR catalysts for fuel cell applications.- Published
- 2023
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34. NanoSIMS Analysis of Rare Earth Elements in Silicate Glass and Zircon: Implications for Partition Coefficients.
- Author
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Shi L, Sano Y, Takahata N, Koike M, Morita T, Koyama Y, Kagoshima T, Li Y, Xu S, and Liu C
- Abstract
We have developed a method to analyze all rare earth elements in silicate glasses and zircon minerals using a high lateral resolution secondary ion mass spectrometer (NanoSIMS). A 2nA O
- primary beam was used to sputter a 7-8-μm diameter crater on the sample surface, and secondary positive ions were extracted for mass analysis using an accelerating voltage of 8 kV. A high mass resolving power of 9,400 at 10% peak height was attained to separate heavy REE from oxide of light REE. A multi-collector system combined with peak-jumping by magnetic field was adjusted to detect REEs and silicon-30 for calibration. Based on results of NIST SRM610 glass, sensitivities of REEs vary from 3 cps/ppm/nA of Lu to 13 cps/ppm/nA of Eu. Reproducibility of REE/Si ratios is better than 18% at 2σ. Secondary ion yields of REEs show positive relationships with their ionization potential of second valence. REEs of AS3, QGNG, and Torihama zircons were measured and calibrated against those of 91500 standard zircon. SIYs of REEs of zircon are identical to those of the glass standard. AS3 and QGNG data are generally consistent with those of previous work. Torihama REE data combined with the whole rock data provide partition coefficients of REEs between silicate melt and zircon. The relationship between these coefficients and ionic radius is explained by an elastic moduli model., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Shi, Sano, Takahata, Koike, Morita, Koyama, Kagoshima, Li, Xu and Liu.)- Published
- 2022
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35. The Crucial Role of Chlorinated Thiophene Orientation in Conjugated Polymers for Photovoltaic Devices.
- Author
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Wu Y, An C, Shi L, Yang L, Qin Y, Liang N, He C, Wang Z, and Hou J
- Abstract
Chlorinated conjugated polymers not only show great potential for the realization of highly efficient polymer solar cells (PSCs) but also have simple and high-yield synthetic routes and low-cost raw materials available for their preparation. However, the study of the structure-property relationship of chlorinated polymers is lagging. Now two chlorinated conjugated polymers, PCl(3)BDB-T and PCl(4)BDB-T are investigated. When the polymers were used to fabricate PSCs with the nonfullerene acceptor (IT-4F), surprisingly, the PCl(3)BDB-T:IT-4F-based device exhibited a negligible power conversion efficiency (PCE) of 0.18 %, while the PCl(4)BDB-T:IT-4F-based device showed an outstanding PCE of 12.33 %. These results provide new insight for the rational design and synthesis of novel chlorinated polymer donors for further improving the photovoltaic efficiencies of PSCs., (© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)
- Published
- 2018
- Full Text
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