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Prussian Blue Analogue‑Templated Nanocomposites for Alkali‑Ion Batteries:Progress and Perspective
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作者 Jian‑En Zhou Yilin Li +1 位作者 Xiaoming Lin Jiaye Ye 《Nano-Micro Letters》 SCIE EI CAS 2025年第1期216-261,共46页
Lithium-ion batteries(LIBs)have dominated the portable electronic and electrochemical energy markets since their commercialisation,whose high cost and lithium scarcity have prompted the development of other alkali-ion... Lithium-ion batteries(LIBs)have dominated the portable electronic and electrochemical energy markets since their commercialisation,whose high cost and lithium scarcity have prompted the development of other alkali-ion batteries(AIBs)including sodium-ion batteries(SIBs)and potassium-ion batteries(PIBs).Owing to larger ion sizes of Na^(+)and K^(+)compared with Li^(+),nanocomposites with excellent crystallinity orientation and well-developed porosity show unprecedented potential for advanced lithium/sodium/potassium storage.With enticing open rigid framework structures,Prussian blue analogues(PBAs)remain promising self-sacrificial templates for the preparation of various nanocomposites,whose appeal originates from the well-retained porous structures and exceptional electrochemical activities after thermal decomposition.This review focuses on the recent progress of PBA-derived nanocomposites from their fabrication,lithium/sodium/potassium storage mechanism,and applications in AIBs(LIBs,SIBs,and PIBs).To distinguish various PBA derivatives,the working mechanism and applications of PBA-templated metal oxides,metal chalcogenides,metal phosphides,and other nanocomposites are systematically evaluated,facilitating the establishment of a structure–activity correlation for these materials.Based on the fruitful achievements of PBA-derived nanocomposites,perspectives for their future development are envisioned,aiming to narrow down the gap between laboratory study and industrial reality. 展开更多
关键词 Prussian blue analogues Self-sacrificial template Lithium-ion batteries Sodium-ion batteries Potassium-ion batteries
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Design, synthesis, insecticidal evaluation and molecular docking studies of cis-nitenpyram analogues bearing diglycine esters 被引量:2
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作者 CHEN YanXia SUN ChuanWen +1 位作者 WEN XiaXia ZHANG WangGeng 《Science China Chemistry》 SCIE EI CAS 2013年第2期159-168,共10页
Based on the strategies of receptor structure-guided neonicotinoid design, a series of novel cis-nitenpyram analogues bearing diglycine esters were designed and synthesized. Preliminary bioassays indicated that the in... Based on the strategies of receptor structure-guided neonicotinoid design, a series of novel cis-nitenpyram analogues bearing diglycine esters were designed and synthesized. Preliminary bioassays indicated that the insecticidal spectra of the target compounds were expanded compared with our previous work, while all the target compounds presented excellent insecticidal activities against Nilaparvata lugens and Aphis medicagini at 100 mg/L. Among these analogues, 6b showed 100% mortality against Nilaparvata lugens (LC 50 = 0.163 mg/L) and 90% against Aphis medicagini at 4 mg/L. SARs suggested that the insecticidal potency of our designed cis-nitenpyram analogues was dual-controlled by the size and species of the ester groups. The molecular docking simulations revealed that the structural uniqueness of these analogues may lead to a unique molecular recognition and binding mode compared with the previously designed compounds. Introduction of the peptide bond gave rise to more significant hydrogen bonds between the nitenpyram analogues bonding with the amino acid residues of insect nAChRs. The docking results explained the SARs observed in vitro, and shed light on the novel insecticidal mechanism of these cis-nitenpyram analogues. 展开更多
关键词 cis-nitenpyram analogues hydrogen bonds diglycine ester synthesis insecticidal activity molecular docking nAChRs peptide bond
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Synthesis, Insecticidal Activities and Molecular Docking Studies on cis-Nitenpyram Analogues with a Flexible Amido Segment Anchored on Tetrahydropyrimidine Ring 被引量:1
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作者 FANG Ting SUN Chuanwen +3 位作者 XU Yiyi YUAN Jing WANG Yuanfeng XING Jiahua 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2014年第6期931-936,共6页
To make further studies on the difference of cis-nitenpyram analogues, a series of cis-nitenpyram com- pounds containing a flexible amido segment anchored on tetrahydropyrimidine ring was designed and synthesized. Pre... To make further studies on the difference of cis-nitenpyram analogues, a series of cis-nitenpyram com- pounds containing a flexible amido segment anchored on tetrahydropyrimidine ring was designed and synthesized. Preliminary bioassays indicate that all the analogues exhibit a mortality of 100% at 100 rag/L, and the analogue 4d shows the best activity against Nilaparvata lugens and Myzus persicae, with a mortality of 100% at 4 mg/L (LCs0=0.172 rag/L). The structure activity relationship studies show that insecticidal activities of the analogues are affected by the kinds and size of substituent R. In addition, the molecular docking simulations reveal that compouds 4 with a flexible amido segment on tetrahydropyrimidine ring show their different binding affinities for the nicotinic acetyleholine receptor(nAChR) of insect and compoud 4d shows stronger hydrogen-bonding with nAChR, which may provide the structure-activity relationship observed in vitro. 展开更多
关键词 cis-nitenpyram analogue Nicotinic acetylcholine receptor(nAChR) Flexible amido segment Hydro-gen-bonding action Structure activity relationship Insecticidal activity Molecular docking
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cis-Nitenpyram Analogues Bearing Acyloxy Segments Anchored on the Tetrahydropyrimidine Ring: Synthesis, Insecticidal Activities and Molecular Docking Studies
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作者 SUN Chuan-wen WU Ying +2 位作者 CHEN Yan-xia NAN Shi-bin ZHANG Wang-geng 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2013年第3期477-482,共6页
A series of novel cis-nitenpyram analogues bearing acyloxy segments anchored on the tetrahydropyrimi-dine ring was designed and synthesized. Preliminary bioassays indicate that all the nitenpyram analogues 3a--3n exhi... A series of novel cis-nitenpyram analogues bearing acyloxy segments anchored on the tetrahydropyrimi-dine ring was designed and synthesized. Preliminary bioassays indicate that all the nitenpyram analogues 3a--3n exhibit good insecticidal activities against Nilaparvata lugens and Aphis medicaginis at 100 mg/L, while analogue 3k affords the best activity in vitro and the lethal concentration 50(LC50) values(0.187, 0.214 mg/L) are close to that of nitenpyram. The structure activity relationships(SARs) suggest that their insecticidal potency is influenced by the species of acyloxy segments. The docking results reveal that analogue 3k forms stronger hydrogen-bonding with the nAChR, which explain the structure activity relationships(SARs) observed in vitro and imply that the strategies of our designed nitenpyram analogues are feasible. 展开更多
关键词 cis-nitenpyram analogue Acyloxy segment Hydrogen-bonding action Insecticidal activity Molecular docking
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cis-Nitenpyram Analogues Containing 1,4-Dihydropyridine: Synthesis, Insecticidal Activities, and Molecular Docking Studies
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作者 孙传文 陈艳霞 +4 位作者 刘天雁 吴颖 方庭 王静 邢家华 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2012年第7期1415-1422,共8页
A novel series of cb-nitenpyram analogues (2a--2p) were designed and prepared by introducing the 1,4-dihydropyridine, with their eis-configuration confirmed by X-ray diffraction. Preliminary bioassays showed that mo... A novel series of cb-nitenpyram analogues (2a--2p) were designed and prepared by introducing the 1,4-dihydropyridine, with their eis-configuration confirmed by X-ray diffraction. Preliminary bioassays showed that most compounds exhibited good insecticidal activities at 20 mg/L against Aphis medicagini, and analogues 2a and 2d aflbrded the best activity, and both of them had 100% mortality at 4 mg/L. In addition, molecular docking studies were also performed to model the ligand-receptor complexes, and the results explained the structure-activity relationships observed in vitro, which may provide some useful information for future design of new insecticides. 展开更多
关键词 cis-nitenpyram analogue 1 4-DIHYDROPYRIDINE synthesis insecticidal acvitity molecular docking
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A novel ABA structural analogues enhanced plant resistance by inducing the plant immunity and inactivating ABA signaling pathway 被引量:1
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作者 Yanke Jiang Yingzhe Yue +6 位作者 Zhaoxu Wang Chongchong Lu Zhizheng Wang Ziyi Yin Yang Li Ge-Fei Hao Xinhua Ding 《Advanced Agrochem》 2024年第1期64-73,共10页
Abscisic acid(ABA)is a phytohormone that not only important for plant growth,but also mediating the stress response.The roles of ABA in plant immunity are especially multifaceted.Recently,the ABA functional analogues ... Abscisic acid(ABA)is a phytohormone that not only important for plant growth,but also mediating the stress response.The roles of ABA in plant immunity are especially multifaceted.Recently,the ABA functional analogues are of great significance to promote its application.Here,we reported an ABA functional analogue named 167A.167A inhibits plant growth and seeds germinating of Arabidopsis.Meanwhile,the 167A enhanced the plant immunity,which is opposite of ABA.We further investigated the PTI-response after 167A treatment,and the results show that the ROS burst,callose deposition accumulate with 167A treatment.Moreover,167A also influence the degree of stomal closed.RNA-seq assays show that the 167A down-regulated the ABA associated genes and upregulated the JA/SA/ET associated genes.Through genetic analysis,the 167A modulating the plant resistance through the PYR/PYL Receptors.Together,these results demonstrate that a novel ABA analogue 167A positive regulated plant immunity and has great potential for agricultural applications. 展开更多
关键词 Abscisic acid Structural analogues Plant immunity PYR1/PYL receptors
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Cesium-doped manganese-based Prussian blue analogue as a high-efficiency cathode material for potassium-ion batteries
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作者 Jie Wang Zeyu Yuan +6 位作者 Jiaying Liao An Li Yifan Xu Haijie Qi Yuehua Man Yanqi Lv Xiaosi Zhou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第12期120-127,共8页
Prussian blue analogues (PBAs) are regarded as promising cathode materials for potassium-ion batteries(PIBs) owing to their low cost and high reversible capacity.Compared to other PBAs,potassium manganese hexacyanofer... Prussian blue analogues (PBAs) are regarded as promising cathode materials for potassium-ion batteries(PIBs) owing to their low cost and high reversible capacity.Compared to other PBAs,potassium manganese hexacyanoferrate (KMnHCF) stands out for its superior capacity and operating voltage.However,Jahn-Teller effect of Mn^(3+)and the structural collapse caused by potassium ion insertion/extraction still affect the structural stability and electrochemical performance of this material.Herein,a green and efficient synthesis method is adopted to substitute potassium ions in KMnHCF with an appropriate amount of cesium ions to form a column effect.Cesium-doped KMnHCF (Cs-KMnHCF) mitigates the irreversible structural damage caused by potassiation/depotassiation and the Jahn-Teller effect,thereby improving the cycling stability.In addition,it widens the lattice channels,reduces the diffusion barrier of potassium ions,and optimizes the diffusion kinetics.By rationally controlling the doping amount of Cs^(+),the obtained K_(1.71)Cs_(0.05)Mn[Fe(CN)_(6)]_(0.95·0.05)·0.88H_(2)O exhibits remarkable electrochemical performance,with an initial discharge capacity of 137.6 mA h g^(-1)at a current density of 20 mA g^(-1)and a capacity retention of 89.6%after 600 cycles at 200 mA g^(-1).More importantly,when assembled with a pitch-derived soft carbon anode,the full cell manifests excellent cycle stability and rate performance.This work is expected to provide a highly efficient cathode material for the practical application of PIBs. 展开更多
关键词 Prussian blue analogue Cathode material Potassium-ion battery Ion exchange Column effect
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Plant-based meat analogues aggravated lipid accumulation by regulating lipid metabolism homeostasis in mice
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作者 Yunting Xie Linlin Cai +4 位作者 Zhiji Huang Kai Shan Xinglian Xu Guanghong Zhou Chunbao Li 《Food Science and Human Wellness》 SCIE CSCD 2024年第2期946-960,共15页
To determine the effects of plant-based meat analogues on the metabolic health and the possible mechanisms,mice were fed with a real pork diet(AP),a real beef diet(AB),a plant-based pork analogue diet(PP)and plant-bas... To determine the effects of plant-based meat analogues on the metabolic health and the possible mechanisms,mice were fed with a real pork diet(AP),a real beef diet(AB),a plant-based pork analogue diet(PP)and plant-based beef analogue diet(PB)for 68 days.Compared with real meat,the plant-based meat analogues increased food and energy intake,body weight,white fat and liver weight and caused adipocyte hypertrophy,hepatic lipid droplet accumulation,and inflammatory responses in mice.Metabolomics revealed that plantbased meat analogues altered the composition of serum metabolites,which regulated lipid metabolism homeostasis.The PB diet upregulated gene expression related to lipid synthesis,lipolysis and adipocyte differentiation while the PP diet upregulated expression of lipolysis-related genes but downregulated expression of adipocyte differentiation-related genes in white adipose tissue.Meanwhile,both PP and PB diets upregulated lipid influx-and synthesis-related genes but downregulated lipid oxidation-related genes in liver.The specific metabolite biomarkers may affect fat accumulation mainly by direct lipid metabolism pathways or indirect amino acid metabolism,protein digestion and absorption,bile secretion,aminoacyl-tRNA biosynthesis,neuroactive ligand-receptor interaction and ABC transporters pathways.These findings provide a new insight into understanding the differences in nutritional functions of meat and plant-based meat analogues. 展开更多
关键词 Meat analogues Metabolomics Lipid metabolism Adipose tissue dysfunction Ectopic fat deposition
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The meat of the matter: plant-based meat analogue versus traditional meat product nutritional quality
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作者 Arshia Shireen Amanda J.Wright 《Food Science and Human Wellness》 SCIE CAS CSCD 2024年第6期3110-3125,共16页
Plant-based meat analogues(PBMA)are formulated to mimic the sensory characteristics of traditional meat products(TMP)using vegetarian ingredients and are increasingly popular with the trend towards plantbased diets,ev... Plant-based meat analogues(PBMA)are formulated to mimic the sensory characteristics of traditional meat products(TMP)using vegetarian ingredients and are increasingly popular with the trend towards plantbased diets,even among meat-eating consumers.This narrative review compared the nutritional quality of PBMA and TMP to broaden the discussion on the suitability of simulated meat products to substitute TMP,while exploring other attributes for their comparison.The complexity of PBMA and TMP means they are not entirely interchangeable.Importantly,PBMA health effects extend beyond their basic nutrient content and quality.Postprandial metabolism and satiety,for example,can be affected by product formulation,ingredient interactions,and thermomechanical processing involved in producing organoleptically acceptable PBMA.There are specific opportunities for low-sodium PBMA products to contribute to a healthy shift toward plantbased diets.In conclusion,PBMA cannot be assumed to be healthier than TMP.They should be designed with comprehensive consideration of composition and processing to ensure they support consumers who are adopting plant-based diets in realizing the theoretical health benefits. 展开更多
关键词 Plant-based meat analogue Meat alternative Plant protein Nutritional quality Processed foods
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New model of linkage evolution for the transtensional fault systems in the Nanpu Sag of Bohai Bay Basin:Insight from seismic interpretation and analogue modelling
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作者 Yu-Heng Wang Fu-Sheng Yu +1 位作者 Bao-Yin Zhao Ling-Jian Meng 《Petroleum Science》 SCIE EI CAS CSCD 2024年第4期2287-2310,共24页
The evolution of faults within the same stress field is frequently influenced by numerous factors,involving the reactivation of pre-existing structures,stress transmission through ductile detachment layers,and the gro... The evolution of faults within the same stress field is frequently influenced by numerous factors,involving the reactivation of pre-existing structures,stress transmission through ductile detachment layers,and the growth,interaction,as well as linkage of new fault segments.This study analyses a complex multi-phase oblique extension fault system in the Nanpu Sag(NPS)of the Bohai Bay Basin(BBB),China.High-resolution three-dimensional(3D)seismic data and analogue modelling indicate that the oblique extensional reactivation of pre-existing structures governs the sequential arrangement of fault segments in the caprock,and they dip synthetically to the reactivated fault at depth.During the NW-SE extension in the Eocene,the predominant movement of the pre-existing fault is strike-slip.Subsequently,during the N-S extension since the Oligocene,inclined at 20.to the pre-existing fault,forming splay fault segments and ultimately creating large en-echelon arcuate faults linked by relay ramps.Using fault throw-distance(T-D)and laser scanning,we reconstructed the fault evolution model of oblique extension reactivation in the presence of a ductile detachment basement.Our study illustrates that the arcuate faults can be categorized into linear master fault segments controlled by pre-existing structures,bending splay faults in the termination zone,and normal fault segments responding to the regional stress field.The interaction between faults occurs among normal faults and strike-slip faults,and the kinematic unification of the two fault systems is accomplished in the intersection zone.As the faults continue to evolve,the new fault segments tend to relinquish the control of pre-existing structures and concentrate more on the development of planar and continuous major faults.The ductile detachment layer significantly contributes to the uniform distribution of strain,resulting in narrow shear zones and discontinuous normal faults in its absence. 展开更多
关键词 analogue modelling Transtensional deformation Fault linkage Fault intersection zone Nanpu Sag of Bohai Bay basin
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Effect of dietary with Zhibai dihuang pills and gonadotropinreleasing-hormone-analogue on girls with precocious and rapidly progressive puberty
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作者 Xue-Mei Wang Wei Li +2 位作者 Liu-Qing Yang Rui Luo Chen-Chen Zhang 《World Journal of Clinical Cases》 SCIE 2024年第24期5534-5541,共8页
BACKGROUND At present,the clinical mechanisms underlying precocious puberty remain unclear,making effective intervention for children experiencing this condition and rapidly progressive puberty essential.AIM To explor... BACKGROUND At present,the clinical mechanisms underlying precocious puberty remain unclear,making effective intervention for children experiencing this condition and rapidly progressive puberty essential.AIM To explore the effects of Zhibai dihuang pills and gonadotropin-releasing hormone analogue(GnRHa)on growth and ovarian function in girls with precocious puberty.METHODS The clinical data of 84 adolescent girls with precocious puberty and rapidly progressive puberty from February 2017 to August 2023 were retrospectively analyzed.Girls were divided into a control group and an observation group,with 42 cases in each group.The control group received diet intervention combined with GnRHa treatment,while the observation group received diet intervention combined with Zhibai dihuang pills+GnRHa treatment.Outcomes such as clinical efficacy,growth indicators,ovarian function,and adverse reactions were compared between the two groups.RESULTS The observation group showed superior clinical efficacy compared to the control group(P<0.05).Prior to the intervention,no significant differences were found in growth or ovarian function between the groups(P>0.05).Post-intervention,the observation group exhibited significantly lower rates in growth,height,and bone age,along with reduced levels of progesterone,testosterone,estradiol,prolactin,luteinizing hormone,and follicle-stimulating hormone compared to the control group(P<0.05).The incidence of adverse reactions was similar across both groups(P>0.05).CONCLUSION Combining Zhibai dihuang pills with GnRHa and dietary intervention effectively improves growth,enhances ovarian function,and minimizes adverse reactions in adolescent girls with precocious and rapidly progressive puberty. 展开更多
关键词 Zhibai dihuang pills Gonadotropin-releasing hormone analogue Dietary intervention Precocious puberty Rapidly progressive puberty Ovarian function
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Synthesis of novel ADPR analogues: substitution of pyrophosphate linkage by dipeptide
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作者 张超 杨振军 +1 位作者 张亮仁 张礼和 《Journal of Chinese Pharmaceutical Sciences》 CAS 2007年第4期262-267,共6页
For investigating the biological function of ADPR, four novel analogues (compounds 2-5) in which the pyrophosphate linkage was replaced by the aspartic acid dipeptide were synthesized. 5'-Amino adenosine or its ana... For investigating the biological function of ADPR, four novel analogues (compounds 2-5) in which the pyrophosphate linkage was replaced by the aspartic acid dipeptide were synthesized. 5'-Amino adenosine or its analogues was used as the starting material, liquid phase peptide synthesis strategy was used to construct these ADPR analogues. The structures were characterized by 1H NMR and HRMS spectra. This study provides a versatile synthesis of peptide modified ADPR analogues and helps to understand the structure-activity relationship of ADPR. 展开更多
关键词 ADPR NUCLEOSIDE analogueS Synthesis
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Cantharidin and Its Analogues:Anticancer and Ser/Thr Protein Phosphatase Inhibitory Activities 被引量:5
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作者 史清华 王玉玲 +1 位作者 宋宏锐 程卯生 《Journal of Chinese Pharmaceutical Sciences》 CAS 2005年第4期250-256,共7页
This paper mainly describes the anticancer activities and Ser/Thr protein phosphatase inhibitory activities of cantharidin and its analogues.
关键词 cantharidin analogues anticancer activity Ser/Thr protein phosphatase inhibitory activity
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Structure and kinematic analysis of the deepwater area of the Qiongdongnan Basin through a seismic interpretation and analogue modeling experiments 被引量:11
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作者 SUN Zhen WANG Zhenfeng +3 位作者 SUN Zhipeng WANG Zhangwen ZHANG Wei HE Lijuan 《Acta Oceanologica Sinica》 SCIE CAS CSCD 2015年第4期32-40,共9页
Located at the northwest continental slope of the South China Sea, the Qiongdongnan Basin bears valley-shaped bathymetry deepening toward east. It is separated from the Yinggehai Basin through NW-trending Indo-China-R... Located at the northwest continental slope of the South China Sea, the Qiongdongnan Basin bears valley-shaped bathymetry deepening toward east. It is separated from the Yinggehai Basin through NW-trending Indo-China-Red River shear zone, and connected with NW subsea basin through the Xisha Trough. Along with the rapid progress of the deepwater exploration, large amounts of high resolution geophysical and geological data were accumulated. Scientific researches about deepwater basins kept revealing brand new tectonic and sedimentary discoveries. In order to summarize the structural features and main controlling factors of the deepwater Qiongdongnan Basin, a series of researches on basin architecture, fault activities, tectonic deformation and evolution were carried out. In reference to analogue modeling experiments, a tectonic situation and a basin formation mechanism were discussed. The researches indicate that:the northern boundary of the Qiongdongnan Basin is strongly controlled by No. 2 fault. The overlapping control of two stress fields from the east and the west made the central depression zone extremely thinned. Combined with the changed stress field, the segmentation of a preexisting weakness zone made the sags in the east experiencing different rifting histories from the west ones. The NE-trending west segment of the Qiongdongnan Basin experienced strong rifting during Eocene, while the roughly EW-trending sags in the east segment show strong rifting during late Eocene and early Oligocene. Local structures such as NW-trending basal fault and inherited uplifts controlled the lateral segmentation. So first order factors such as regional stress field and preexisting weakness zone controlled the basin zonation, while the second order factors determined the segmentation from east to west. 展开更多
关键词 rifting structure basin formation mechanism profile interpretation analogue modeling experiments Qiongdongnan Basin
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Viral infection parameters not nucleoside analogue itself correlates with host immunity in nucleoside analogue therapy for chronic hepatitis B 被引量:16
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作者 Cheng-Zhong Li Jing-Jing Hu +5 位作者 Jian-Ya Xue Wei Yin Ya-Yun Liu Wen-Han Fan Hao Xu Xue-Song Liang 《World Journal of Gastroenterology》 SCIE CAS 2014年第28期9486-9496,共11页
AIM: To determine the relationship between host immunity and the characteristics of viral infection or nucleoside analogues (NAs) themselves in patients with chronic hepatitis B (CHB) receiving NA therapy.
关键词 Chronic hepatitis B Nucleoside analogues Immune modulation Programmed death-1 CD4+CD25+FoxP3+T regulatory cells
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Analogue correction method of errors and its application to numerical weather prediction 被引量:9
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作者 高丽 任宏利 +1 位作者 李建平 丑纪范 《Chinese Physics B》 SCIE EI CAS CSCD 2006年第4期882-889,共8页
In this paper, an analogue correction method of errors (ACE) based on a complicated atmospheric model is further developed and applied to numerical weather prediction (NWP). The analysis shows that the ACE can eff... In this paper, an analogue correction method of errors (ACE) based on a complicated atmospheric model is further developed and applied to numerical weather prediction (NWP). The analysis shows that the ACE can effectively reduce model errors by combining the statistical analogue method with the dynamical model together in order that the information of plenty of historical data is utilized in the current complicated NWP model, Furthermore, in the ACE, the differences of the similarities between different historical analogues and the current initial state are considered as the weights for estimating model errors. The results of daily, decad and monthly prediction experiments on a complicated T63 atmospheric model show that the performance of the ACE by correcting model errors based on the estimation of the errors of 4 historical analogue predictions is not only better than that of the scheme of only introducing the correction of the errors of every single analogue prediction, but is also better than that of the T63 model. 展开更多
关键词 numerical weather prediction analogue correction method of errors reference state analogue-dynamical model
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3D-QSAR Study of Melittin and Amoebapore Analogues by CoMFA and CoMSIA Methods 被引量:3
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作者 TONG Jian-Bo QIN Shang-Shang JIANG Guo-Yan 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第2期201-210,165,共11页
Peptides are one of the indispensable substances in life. The use of computer aided drug design(CADD) methods to design peptides and peptiodmimetics can short the design cycle, save research funding, improve the level... Peptides are one of the indispensable substances in life. The use of computer aided drug design(CADD) methods to design peptides and peptiodmimetics can short the design cycle, save research funding, improve the level of whole research to a large extent and guide the discovery of new drugs. In this paper, Melittin and amoebapore three-dimensional quantitative structureactivity relationship(3D-QSAR) models were established by using comparative molecular field analysis(CoMFA) and comparative molecular similarity indices analysis(CoMSIA) method. The result shows that, the correlation coefficient(q^2) was 0.583 and non-cross-validation correlation coefficient(r^2) was 0.972 for the melittin CoMFA model. The q^2 and r^2 were 0.630 and 0.995 for the best CoMSIA model, 0.645 and 0.993 for the amoebapore CoMFA model, and 0.738 and 0.996 for the best CoMSIA model. The statistical parameters demonstrated that the CoMFA and CoMSIA models had both good predictive ability and high statistical stability, and can provide theoretical basis for designing new high activity polypeptide drugs. 展开更多
关键词 3D-QSAR MELITTIN analogueS amoebapore analogueS COMFA COMSIA
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Application of nucleoside analogues to liver transplant recipients with hepatitis B 被引量:3
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作者 Zhuo-Lun Song Yu-Jun Cui +2 位作者 Wei-Ping Zheng Da-Hong Teng Hong Zheng 《World Journal of Gastroenterology》 SCIE CAS 2015年第42期12091-12100,共10页
Hepatitis B is a common yet serious infectious disease of the liver, affecting millions of people worldwide. Liver transplantation is the only possible treatment for those who advance to end-stage liver disease. Donor... Hepatitis B is a common yet serious infectious disease of the liver, affecting millions of people worldwide. Liver transplantation is the only possible treatment for those who advance to end-stage liver disease. Donors positive for hepatitis B virus(HBV) core antibody(HBc Ab) have previously been considered unsuitable for transplants. However, those who test negative for the more serious hepatitis B surface antigen can now be used as liver donors, thereby reducing organ shortages. Remarkable improvements have been made in the treatment against HBV, most notably with the development of nucleoside analogues(NAs), which markedly lessen cirrhosis and reduce post-transplantation HBV recurrence. However, HBV recurrence still occurs in many patients following liver transplantation due to the development of drug resistance and poor compliance with therapy. Optimized prophylactic treatment with appropriate NA usage is crucial prior to liver transplantation, and undetectable HBV DNA at the time of transplantation should be achieved. NA-based and hepatitis B immune globulin-based treatment regimens can differ between patients depending on the patients' condition, virus status, and presence of drug resistance. This review focuses on the current progress in applying NAs during the perioperative period of liver transplantation and the prophylactic strategies using NAs to prevent de novo HBV infection in recipients of HBc Ab-positive liver grafts. 展开更多
关键词 NUCLEOSIDE analogueS LIVER TRANSPLANTATION Hepatit
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Migration of Some Elements and Radionuclides across aGranite-Granite Contact Zone: A Natural Analoguefor Safe Disposal of High-Level Radwastes 被引量:4
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作者 LUO Xingzhang MIN Maozhong +4 位作者 ZHANG Guanghui LI Xianguo YANG Zhe ZHAI Liying Zhu Deling 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 1999年第4期418-428,共11页
Abstract Elements and natural radionuclides in the contact zone of two granites with different ages would migrate from one to the other because of the difference in their chemical contents and later water-rock interac... Abstract Elements and natural radionuclides in the contact zone of two granites with different ages would migrate from one to the other because of the difference in their chemical contents and later water-rock interactions. This migration could serve as an analogue for the near-field process of radwastes in a high-level radwaste deep geological disposal repository. 展开更多
关键词 high-level radwaste safe disposal granitic contact zone natural analogue
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Using a modern analogue to interpret depositional position in ancient fluvial-tidal channels:Example from the McMurray Formation,Canada 被引量:4
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作者 Andrew D.La Croix Shahin E.Dashtgard James A.MacEachern 《Geoscience Frontiers》 SCIE CAS CSCD 2019年第6期2219-2238,共20页
The fluvial-tidal transition(FTT)is a complex depositional zone,where fluvial flow is modified by tides as rivers approach a receiving marine basin.Variations in the relative importance of tidal versus fluvial process... The fluvial-tidal transition(FTT)is a complex depositional zone,where fluvial flow is modified by tides as rivers approach a receiving marine basin.Variations in the relative importance of tidal versus fluvial processes lead to a distinctive distribution of sediments that accumulate on channel bars.The FTT generally consists of three broad zones:(1)a freshwater-tidal zone;(2)a tidally influenced freshwater to brackish-water transition:and(3)a zone of relatively sustained brackish-water conditions with stronger tides.A very common type of deposit through the fluvial-tidal transition,especially on the margins of migrating channels,is inclined heterolithic stratification(IHS).At present,a detailed account of changes in the character of IHS across the FIT of a paleo-channel system has not been reported,although a number of modern examples have been documented.To fill this gap,we quantitatively assess the sedimentology and ichnology of IHS from seven cored intervals in three geographic areas situated within the youngest paleovalley("A"Valley)in the Lower Cretaceous McMurray Formation of Alberta.Canada.We compare the data to trends defined along the FTT in the present-day Fraser River in British Columbia.Canada to interpret paleo-depositional position in the ancient fluvial-tidal channels.Analysis determined that the mean mudstone thickness is 8.2 cm in the southern study area(SA).Mean thickness increases to 11 cm in the central study area(CA),and decreases again to 4.4 cm in the northern study area(NA).The proportion of mudstone is 31%in SA,44%in CA,and 27%in NA.Thicknessweighted mean bioturbation intensity in sands varied from 0.29 in SA and CA.to 0.28 in NA.On the other hand,thickness-weighted mean bioturbation intensity(Bl)in mudstone increases from 1.46 in SA.to 1.77 in CA.and is 1.94 in NA.The ichnological diversity also increased from south to north.Sedimentological results show sinilar trends to those of the Fraser River,enabling the identification of a freshwater to brackish-water transition zone with tidal influence.The interpreted position of the transition is underpinned by the bioturbation intensity and trace-fossil diversity trends,indicating periodic brackish-water conditions throughout SA in the McMurray Formation during low river flow conditions.Together,these data suggest that a broad FTT existed in the"A"Valley,with fluvial-dominated channels to the south that experienced seasonal brackish-water inundation during base flow,and channels experiencing increasing brackish-water influence lying further north towards a turbidity maximun zone.The FIT zone appears to have extended for several hundred kilometers fron south to north.Based on the sedimentological and ichnological data,as well as estimations of lateral accretion rates,we refute the colmonly applied Mississippi River depositional analogue for McMurray Formation channels.Rather,we show that while not a perfect fit,the tidally influenced Fraser River shows much greater agreement with the depositional character recorded in McMurray Formation IHS.Future work on the McMurray system should focus on characterizing tide-dominatecl deltaic and estuarine systems,such as the Ganges-Brahmaputra,and on forward-modeling the evolution of tide-dominated and tideinfluenced river systems. 展开更多
关键词 Fluvial-tidal transition McMurray FORMATION FRASER river Inclined heterolithic stratification MODERN analogue Quantirative SEDIMENTOLOGY and ICHNOLOGY
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