作者:
He, Ying;Wang, Yan;Yang, Jerry Zhijian;Yin, Hongshuang
期刊:
EAST ASIAN JOURNAL ON APPLIED MATHEMATICS,2024年 ISSN:2079-7362
通讯作者:
Wang, Y
作者机构:
[Yang, Jerry Zhijian; Yin, Hongshuang; He, Ying] Wuhan Univ, Sch Math & Stat, Wuhan 430072, Peoples R China.;[He, Ying] Yanqi Lake Beijing Inst Math Sci & Applicat, Beijing 101408, Peoples R China.;[Wang, Yan] Cent China Normal Univ, Sch Math & Stat, Wuhan 430079, Peoples R China.;[Wang, Yan] Cent China Normal Univ, Hubei Key Lab Math Sci, Wuhan 430079, Peoples R China.
通讯机构:
[Wang, Y ] C;Cent China Normal Univ, Sch Math & Stat, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Hubei Key Lab Math Sci, Wuhan 430079, Peoples R China.
摘要:
Numerical methods for the nonlinear Dirac equation (NDE) in the massless nonrelativistic regime are considered. In this regime, the equation contains a small dimensionless parameter 0 < epsilon <= 1, and its solution is highly oscillatory in time. We present and analyze traditional numerical schemes for the NDE, including finite difference methods, time-splitting methods and exponential integrators. Error analysis indicates that all these methods require an epsilon-dependent time-step size to achieve an optimal convergence order. Utilizing an operator splitting technique, we propose a uniformly accurate (UA) scheme. The scheme enables first-order convergence in time for all epsilon is an element of (0,1] without restrictions on time-step size. Error estimates for the UA scheme are rigorously established and numerical results confirm the properties of the method.
作者机构:
[Wan, Qing-Yu; Li, Min; Shu, Wen-Ming; Lin, Ri-Lan; Yu, Wei-Chu; Peng, Yan-Qing] Yangtze Univ, Coll Chem & Environm Engn, Hubei Engn Res Ctr Clean Prod & Pollut Control Oil, Jingzhou 434023, Peoples R China.;[Wu, An-Xin] Cent China Normal Univ, Int Joint Res Ctr Intelligent Biosensor Technol &, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.
通讯机构:
[Shu, WM; Yu, WC ] Y;Yangtze Univ, Coll Chem & Environm Engn, Hubei Engn Res Ctr Clean Prod & Pollut Control Oil, Jingzhou 434023, Peoples R China.
摘要:
An iodine-mediated cyclization has been developed to 4-aryl-NH-1,2,3-triazoles, with p-toluenesulfonyl hydrazide and sulfamic acid used as nitrogen sources. Sulfamic acid plays a crucial role in this reaction by both acting as a substrate and providing an acidic environment. This reaction offers a metal- and azide-free strategy to access NH-1,2,3-triazoles.
作者机构:
[Li, Qian; Yan, Qiang; Yan, Q; Li, Yuntao] Zhejiang Univ, Huzhou Cent Hosp, Affiliated Huzhou Hosp, Dept Gen Surg,Sch Med, Huzhou 313000, Peoples R China.;[Li, Qian; Sun, Yao; Zhao, Fang] Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.;[Ye, Huan] Guangxi Univ, Sch Light Ind & Food Engn, Nanning 530004, Peoples R China.;[Zhang, ZP; Zhang, Zhipeng] Hubei Univ Sci & Technol, Xianning Med Coll, Coll Pharm, Xianning 437100, Peoples R China.
通讯机构:
[Zhang, ZP ] H;[Sun, Y ] C;[Yan, Q ] Z;Zhejiang Univ, Huzhou Cent Hosp, Affiliated Huzhou Hosp, Dept Gen Surg,Sch Med, Huzhou 313000, Peoples R China.;Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.
摘要:
Bacterial infections can lead to the development of large-scale outbreaks of diseases that pose a serious threat to human life and health. Also, conventional antibiotics are prone to producing resistance and allergic reactions, and their therapeutic effect is dramatically diminished when bacterial communities form biofilms. Fortunately, well-designed supramolecular coordination complexes (SCCs) have been used as antibacterials or anti-biofilms in recent years. SCCs can kill bacteria by directly engaging with the bacterial surface through electrostatic interactions or by penetrating the bacterial membrane through the auxiliary effect of cell-penetrating peptides. Furthermore, scientists have engineered fluorescent SCCs that can produce reactive oxygen species (ROS) to eliminate bacteria when exposed to laser irradiation, and they also demonstrate outstanding performance in in vivo imaging, enabling integrated diagnosis and treatment. In this review, we summarize the design strategy and applications of SCCs in antibacterials or anti-biofilms and provide an outlook on future research.
摘要:
Significance Statement This study has revealed an important role of OsTIL1 in maintaining the cell membrane integrity by regulating the 18:3‐containing glycerolipids biosynthesis and reducing reactive oxygen species damage under cold stress in rice seedlings. SUMMARY Lipocalins constitute a conserved protein family that binds to and transports a variety of lipids while fatty acid desaturases (FADs) are required for maintaining the cell membrane fluidity under cold stress. Nevertheless, it remains unclear whether plant lipocalins promote FADs for the cell membrane integrity under cold stress. Here, we identified the role of OsTIL1 lipocalin in FADs‐mediated glycerolipid remodeling under cold stress. Overexpression and CRISPR/Cas9 mediated gene edition experiments demonstrated that OsTIL1 positively regulated cold stress tolerance by protecting the cell membrane integrity from reactive oxygen species damage and enhancing the activities of peroxidase and ascorbate peroxidase, which was confirmed by combined cold stress with a membrane rigidifier dimethyl sulfoxide or a H2O2 scavenger dimethyl thiourea. OsTIL1 overexpression induced higher 18:3 content, and higher 18:3/18:2 and (18:2 + 18:3)/18:1 ratios than the wild type under cold stress whereas the gene edition mutant showed the opposite. Furthermore, the lipidomic analysis showed that OsTIL1 overexpression led to higher contents of 18:3‐mediated glycerolipids, including galactolipids (monoglactosyldiacylglycerol and digalactosyldiacylglycerol) and phospholipids (phosphatidyl glycerol, phosphatidyl choline, phosphatidyl ethanolamine, phosphatidyl serine and phosphatidyl inositol) under cold stress. RNA‐seq and enzyme linked immunosorbent assay analyses indicated that OsTIL1 overexpression enhanced the transcription and enzyme abundance of four ω‐3 FADs (OsFAD3‐1/3‐2, 7, and 8) under cold stress. These results reveal an important role of OsTIL1 in maintaining the cell membrane integrity from oxidative damage under cold stress, providing a good candidate gene for improving cold tolerance in rice.
期刊:
Microwave and Optical Technology Letters,2024年66(1) ISSN:0895-2477
通讯作者:
Jin, J
作者机构:
[Ma, Li; Liu, Wei] Tianjin Univ, Sch Microelect, Tianjin, Peoples R China.;[Zhang, Qi-Jun] Carleton Univ, Dept Elect, Ottawa, ON, Canada.;[Jin, Jing] Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan, Peoples R China.;[Zhang, Jianan] Southeast Univ, State Key Lab Millimeter Waves, Nanjing, Peoples R China.
通讯机构:
[Jin, J ] C;Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan, Peoples R China.
关键词:
electromagnetic;finite element method;Pade via Arnoldi;single-size simplification
摘要:
Abstract This paper proposes a new Padé via Arnoldi algorithm with single‐size matrix simplification for electromagnetic (EM) fast frequency sweep. New equations are derived to reduce the double‐size system matrix to single‐size system matrix. We also propose a systematic algorithm to calculate S‐parameters using the simplified single‐size system matrix. Using the proposed algorithm, the EM responses can be obtained with the same accuracy while consuming much less time compared with that using the existing double‐size matrix Padé via Lanczos. The proposed algorithm is demonstrated by two microwave examples.
期刊:
Concurrency and Computation: Practice and Experience,2024年 ISSN:1532-0626
通讯作者:
He, H
作者机构:
[Wu, Tong; He, Hui; Zhao, Gang] Cent China Normal Univ, Fac Artificial Intelligence Educ, Wuhan, Peoples R China.;[Di, Bingbing] Henan Univ, Fac Educ, Kaifeng, Peoples R China.
通讯机构:
[He, H ] C;Cent China Normal Univ, Fac Artificial Intelligence Educ, Wuhan, Peoples R China.
摘要:
Sharing high-quality educational resources has become an effective way to promote educational equity. The traditional educational resource sharing platforms using centralized storage architecture have security issues. Recently, many studies use blockchain to achieve secure sharing of educational resources. However, the existing blockchain-based educational resource sharing schemes only use blockchain as a storage tool, and have issues such as low sharing efficiency, without considering copyright security, and lack of a trusted sharing environment, which prevents the large-scale sharing of educational resources. In response, we propose ERSChain, a novel blockchain-based educational resources sharing solution. First, we put forward a hybrid storage method that keeps the hash value of resource in the blockchain and stores the encrypted resource in the off-chain, which can alleviate the storage and computing pressure brought by massive educational resources while ensuring the integrity of resources. Second, we construct an efficient revocable ciphertext-policy attribute-based encryption algorithm to implement flexible access control and an outsourced decryption algorithm to achieve greater efficiency. Obtaining access to educational resources is possible when user's attributes meet the access policy and the user's identity does not exist in the revocation list. Third, we put forward a credit mechanism to adjust the user's credibility and a credit-based consensus mechanism to maintain the trusted sharing environment. Finally, security analysis and plentiful of experiments demonstrate that our proposed ERSChain achieves security assurance, has better applicability than similar works, and enables large-scale sharing of educational resources.
摘要:
Electronic portfolios are crucial means to evaluate the performance of students. However, the traditional student e-portfolio(SEP) system cannot meet the needs of guaranteeing students' information safety due to the system using centralized third-party storage. In addition, the SEP system involves multiple stakeholders and has an extreme volume of learning data, while the current access control model fails to satisfy the requirements of the SEP system. Blockchain technology provides a possible solution to the issues, while the massive data stored in the blockchain can cause congestion in the blockchain network. Therefore, we propose StuChain, an efficient blockchain-based SEP platform integrating a hybrid access control approach, to solve the above problems. Firstly, we design a hybrid access control model to manage and share student e-portfolio. Secondly, we propose to use blockchain technology to solve the security issue and design smart contracts to realize identity certification, recording, access control management, and sharing. Thirdly, we present an efficient storage approach, which achieves massive storage without threatening the system's efficiency. The student e-portfolio information is encrypted through the symmetric encryption scheme(AES-128), signed through the Edwards-curve digital signature algorithm (EdDSA), and recorded in the off-chain. We store the corresponding storage address and hash values in the blockchain. Finally, we conduct theoretical analysis and extensive experiments. Theoretical analysis demonstrates that our proposed approach outperforms other schemes. Experimental results show that our proposed StuChain can achieve secure and efficient storage, fine-grained access control, and our proposed system maintains high throughput.
期刊:
Journal of Soils and Sediments,2024年 ISSN:1439-0108
通讯作者:
Liu, Muxing;Yi, J
作者机构:
[Yi, Jun; Lu, Shiguo; Liu, Muxing; Zhang, Hailin; Liu, MX; Wang, Weijie] Cent China Normal Univ, Key Lab Geog Proc Anal & Simulat Hubei Prov, Wuhan 430079, Peoples R China.;[Yi, Jun; Lu, Shiguo; Liu, Muxing; Zhang, Hailin; Liu, MX; Wang, Weijie] Cent China Normal Univ, Coll Urban & Environm Sci, Wuhan 430079, Peoples R China.;[Wan, Jinhong] Inst Water Resources & Hydropower Res, Beijing 100048, Peoples R China.
通讯机构:
[Yi, J ; Liu, MX] C;Cent China Normal Univ, Key Lab Geog Proc Anal & Simulat Hubei Prov, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Coll Urban & Environm Sci, Wuhan 430079, Peoples R China.
关键词:
Soil infiltration response;Forest conversion;Hillslope hydrology;Humid area
摘要:
PurposeUnderstanding the characteristics of soil infiltration response to rainfall is critical for soil water transport processes and hydrologic modeling. However, little is known about how they vary with forest conversion at different temporal stages (< 20 years) below the rooting zone. Therefore, this study aims to investigate soil infiltration response patterns in different subtropical forest conversion hillslopes, including mature original forest (thick root), young secondary forest (middle root), and very young secondary grassland (fine root), and analyzed the effects of environmental factors on the dynamics of soil infiltration.Materials and methodsSeveral metrics were evaluated to characterize and quantify the nature of these responses by estimating changes in the soil water content, the response time difference between two adjacent soil depths, and infiltration velocities for 1144 infiltration events at 6 locations on the three hillslopes.Results and discussionSoil infiltration responses were similar on both forestland hillslopes, yet significantly different from those on the grassland hillslope. The preferential flow was more evident in the profile of thick-rooted vegetation, and the velocity of the wetting front was faster in the profiles of middle- and fine-rooted vegetation. Topography and root characteristics interact to influence soil infiltration response at the hillslope scale.ConclusionsConversion from thick-rooted forests into fine-rooted grasslands altered the rainfall-related soil infiltration dynamics below the rooting zone. In particular, the occurrence of preferential flow and infiltration rates varied, which helps enhance our understanding of ecohydrological processes in the context of changing land use and hydroclimatic conditions.
作者机构:
[Xu, Weiqing; Zhu, Chengzhou; Wu, Yu; Zhu, CZ; Gu, Wenling] Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensing Technol &, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.;[Lin, YH; Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
通讯机构:
[Lin, YH ] W;[Zhu, CZ ] C;Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensing Technol &, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.;Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
摘要:
Natural metalloenzymes with astonishing reaction activity and specificity underpin essential life transformations. Nevertheless, enzymes only operate under mild conditions to keep sophisticated structures active, limiting their potential applications. Artificial metalloenzymes that recapitulate the catalytic activity of enzymes can not only circumvent the enzymatic fragility but also bring versatile functions into practice. Among them, metal-organic frameworks (MOFs) featuring diverse and site-isolated metal sites and supramolecular structures have emerged as promising candidates for metalloenzymes to move toward unparalleled properties and behaviour of enzymes. In this review, we systematically summarize the significant advances in MOF-based metalloenzyme mimics with a special emphasis on active pocket engineering at the atomic level, including primary catalytic sites and secondary coordination spheres. Then, the deep understanding of catalytic mechanisms and their advanced applications are discussed. Finally, a perspective on this emerging frontier research is provided to advance bioinspired catalysis. This review systematically summarizes the significant advances in MOF-based metalloenzyme mimics for bioinspired catalysis with a special emphasis on active pocket engineering at the atomic level.
期刊:
International Journal of Machine Learning and Cybernetics,2024年 ISSN:1868-8071
通讯作者:
Zhou, LG
作者机构:
[Zhou, Yuanyuan; Zheng, Chengli] Cent China Normal Univ, Financial Engn Res Ctr, Sch Econ & Business Adm, Wuhan 430079, Peoples R China.;[Wu, Peng] Anhui Univ, Sch Business, Hefei 230601, Peoples R China.;[Zhou, Ligang] Anhui Univ, Sch Math Sci, Hefei 230601, Peoples R China.
通讯机构:
[Zhou, LG ] A;Anhui Univ, Sch Math Sci, Hefei 230601, Peoples R China.
关键词:
Additive trapezoidal fuzzy preference relation;Priority vector;Compatibility;COWA operator;Optimization model
摘要:
Considering the conflicting opinions and different risk attitudes among decision-makers (DMs) in group decision making (GDM), this paper develops a novel compatibility model with additive trapezoidal fuzzy environment based on continuous ordered weighted averaging (COWA) operator to handle the conflicts. First, some concepts of COWA operator-based compatibility index and characteristic preference relation for additive trapezoidal fuzzy preference relation (ATFPR) are discussed. Then a compatibility reaching algorithm is designed to assist each ATFPR in achieving acceptable compatibility. Moreover, the expert weight optimization model based on the criterion of minimum compatibility of preference relation in GDM is established. Furthermore, a GDM process based on compatibility measures with ATFPRs is introduced, and an application of the proposed approach is put forward. The novelties of our approach are that: (1) COWA operator can deal with the compatibility of all arguments by using controlled parameters that consider the risk attitudes of DMs rather than the compatibility of the simply two points in intervals; (2) compatibility improving algorithm makes sure that the original opinions are retained as much as possible because only one pair of preference relation elements are revised in each round; (3) optimal weights model ensures that weights of DMs in group aggregation are determined availably.
摘要:
This paper explores the knowledge network structure of foreign research literature by applying the qualitative comparative analysis (QCA) method to the field of information science and library science (ISLS) from the perspective of the cocitation of social network actors such as authors, institutions, countries, and literature, and it further reveals the future application trends of this method. [Method/process] Based on 86 journals in the ISLS field that were downloaded from the Web of Science using the QCA method, the social network analysis (SNA) method and the visual analysis tool Gephi are used to analyse the author cooperation network, the research institution cooperation network, the national cooperation network, the cocitation network, the cutting-edge trends, etc., of journal papers. The analysis shows that the QCA method covers a wide range within the field of ISLS, but the research topics involved in this field are not concentrated, and the author cooperation network has scale-free characteristics. The application of the QCA method is still dominant in European and American countries, and China, the USA, and Italy all play key roles in the national cooperation network. Finally, the institutional cooperation network has certain small group attributes.
期刊:
Journal of Soils and Sediments,2024年 ISSN:1439-0108
通讯作者:
Tian, P
作者机构:
[Ping, Yaodong; Tian, Pei; Guo, Yahui; Tian, P] Cent China Normal Univ, Key Lab Geog Proc Anal & Simulat Hubei Prov, Wuhan 430079, Peoples R China.;[Luo, Li] Northwest Agr & Forestry Univ, Coll Water Resources & Architectural Engn, Yangling 712100, Peoples R China.;[Zhu, Zhanliang; Gong, Yuwei] Beijing Normal Univ, Coll Water Sci, Beijing 100091, Peoples R China.;[Cui, Yongsheng] Fujian Agr & Forestry Univ, Forestry Coll, Fuzhou 350002, Peoples R China.;[Chen, Lin] Univ Calif Riverside, Dept Environm Sci, Riverside, CA 92521 USA.
通讯机构:
[Tian, P ] C;Cent China Normal Univ, Key Lab Geog Proc Anal & Simulat Hubei Prov, Wuhan 430079, Peoples R China.
关键词:
Soil erosion sensitivity;RUSLE;Deep learning-LSTM model;Geographic detector;Hilly areas of Hubei Province
摘要:
Purpose Hilly areas are highly susceptible to soil erosion. This study aims to discover the drivers of soil erosion, identify soil erosion-sensitive areas, and predict future soil erosion in typical hilly areas of Hubei Province, China, using combined RUSLE and LSTM models.Materials and methods In this study, soil erosion in hilly areas of Hubei Province from 2000 to 2020 was quantitatively analyzed using the revised universal soil loss equation (RUSLE), and the soil erosion sensitivity evaluation system was constructed, a geographic detector was employed to identify the main drivers of soil erosion sensitivity, and using the long short-term memory neural network model (LSTM) to predict soil erosion in 2025.Results and discussions The results showed that most areas were dominated by slight and moderate erosion. Slope and vegetation coverage were identified as the core elements influencing the space heterogeneity of soil erosion. Soil erosion sensitivity was mainly composed of moderate sensitivity, accounting for more than 70% of the total area. The strong and extreme sensitivity demonstrated a downward trend with the continued implementation of slope management and forest rehabilitation from slope agriculture, whereas the sensitivity was still higher in the northwest and southwest Hubei Province. Regions with severe soil erosion had high sensitivity, and the spatial distribution of the two is strongly coherent. Areas with surface relief > 300 m and vegetation cover < 30% had the highest sensitivity and should be highly valued. The percentage of moderate and higher soil erosion area in 2025 was 3.77% lower than in 2020, but severe erosion still exists in the northwest and southwest Hubei Province.Conclusions Soil erosion sensitivity in the western part of the study area was the highest, followed by the southeast, and the overall erosion sensitivity was gradually decreasing during the studied period. In the future, soil erosion intensity will show a downward trend, whereas the deployment of soil and water conservation measures in soil erosion-sensitive areas should still be strengthened. The results are helpful for accurate soil erosion control and prediction in the hilly areas of Hubei Province, China.
期刊:
Journal of Materials Chemistry C,2024年 ISSN:2050-7526
通讯作者:
Tang, YW;Shi, Y
作者机构:
[Chen, Mingyue; Tang, Yiwen; Ran, Hongbing; Wu, Tong; Tang, YW] Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan 430079, Peoples R China.;[Chen, Junfeng; Shi, Y; Shi, Yun; Zheng, Jiaqian; Li, Xiang] Chinese Acad Sci, Shanghai Inst Ceram, Shanghai 201899, Peoples R China.;[Chen, Junfeng; Shi, Y; Shi, Yun] Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China.;[Wu, Haodi] Huazhong Univ Sci & Technol, WNLO, Wuhan 430074, Peoples R China.;[Wu, Haodi] Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Peoples R China.
通讯机构:
[Shi, Y ; Tang, YW ] C;Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan 430079, Peoples R China.;Chinese Acad Sci, Shanghai Inst Ceram, Shanghai 201899, Peoples R China.;Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China.
摘要:
Ternary copper halides, such as Cs3Cu2I5, as an emerging class of nontoxic alternatives to lead halide perovskites, have drawn extensive attention in the X-ray detection field due to their efficient self-trapped exciton emissions. However, the light yield far below the theoretical limit seriously hinders the high-resolution X-ray detection application of copper halide scintillators. Herein, Cs3Cu2I5:K+ scintillation films and single crystals with enhanced photoluminescence (PL) and radiation luminescence (RL) were first obtained by adjusting the doping concentration of K+ ions in the 0-8 at% range. The substitution of Cs+ by doping K+ compacted the adjacent [Cu2I5](3-) dimer groups, resulting in a stronger exciton-photon coupling strength. Therefore, Cs3Cu2I5:K+ single crystals exhibited a stronger RL emission under X-ray excitation, and their light output was about 49.6% higher than that of the pure Cs3Cu2I5, with an accelerated scintillation decay time (330 to 241 ns). Benefiting from these advantages, X-ray detectors based on hydrophobic polymethyl methacrylate (PMMA)-coated Cs3Cu2I5:K+ flexible films could deliver a higher X-ray imaging resolution of 11.7 lp mm(-1)@MTF = 0.2 in comparison with the commercial gadolinium oxysulfide (GOS)-based detectors (6.2 lp mm(-1)@MTF = 0.2). This work provides insights for the design of metal halides for use in low-cost and high-resolution flexible X-ray imaging systems.
摘要:
Ureas are widely used in drugs, materials and catalysts because of their diamide structure, which can form strong hydrogen bonds. Therefore, it is of great scientific significance to develop efficient and green methods for the synthesis of urea compounds, especially unsymmetrical ureas. Here, we have disclosed novel and highly efficient three-component coupling reactions of organic halides, sodium cyanate and amines enabled by nickel/photoredox dual catalysis for the preparation of unsymmetrical ureas. The reaction features simple and safe operations, broad substrate scopes, and product diversities. It allows the facile synthesis of N-aryl/vinyl ureas from readily available, user-friendly feedstocks under mild conditions (27 examples, 36%-98% yields). In addition, this method is further derived to alcohols as nucleophiles to synthesize a series of carbamates (15 examples, 40%-95% yields). The mechanism experiment shows that the isocyanate produced by the coupling of halide and sodium cyanate may be the key intermediate in this reaction.
期刊:
Physical Chemistry Chemical Physics,2024年26(1):130-143 ISSN:1463-9076
通讯作者:
Zhao, YJ
作者机构:
[Zhao, Yunjie; Zeng, Chengwei; Li, Anbang; Zhuo, Chen] Cent China Normal Univ, Inst Biophys, Wuhan 430079, Peoples R China.;[Zhao, Yunjie; Zeng, Chengwei; Li, Anbang; Zhuo, Chen] Cent China Normal Univ, Dept Phys, Wuhan 430079, Peoples R China.;[Jian, Yiren] Dartmouth Coll, Dept Comp Sci, Hanover, NH 03755 USA.;[Zeng, Chen] George Washington Univ, Dept Phys, Washington, DC 20052 USA.
通讯机构:
[Zhao, YJ ] C;Cent China Normal Univ, Inst Biophys, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Dept Phys, Wuhan 430079, Peoples R China.
摘要:
Biological processes such as transcription, repair, and regulation require interactions between DNA and proteins. To unravel their functions, it is imperative to determine the high-resolution structures of DNA-protein complexes. However, experimental methods for this purpose are costly and technically demanding. Consequently, there is an urgent need for computational techniques to identify the structures of DNA-protein complexes. Despite technological advancements, accurately identifying DNA-protein complexes through computational methods still poses a challenge. Our team has developed a cutting-edge deep-learning approach called DDPScore that assesses DNA-protein complex structures. DDPScore utilizes a 4D convolutional neural network to overcome limited training data. This approach effectively captures local and global features while comprehensively considering the conformational changes arising from the flexibility during the DNA-protein docking process. DDPScore consistently outperformed the available methods in comprehensive DNA-protein complex docking evaluations, even for the flexible docking challenges. DDPScore has a wide range of applications in predicting and designing structures of DNA-protein complexes. Biological processes such as transcription, repair, and regulation require interactions between DNA and proteins.
通讯机构:
[Zhang, ZH; Lei, HH ] C;Cent China Normal Univ, Coll Chem, Wuhan 430079, Hubei, Peoples R China.;Wuhan Inst Photochem & Technol, Wuhan 430083, Hubei, Peoples R China.
摘要:
Regioselective C-H amination of simple arenes is highly desirable, but accessing meta-sites of ubiquitous arenes has proven challenging due to the lack of both electronic and spatial preference. This study demonstrates the successful use of various privileged nitrogen-containing functionalities found in pharmaceutical compounds to direct meta-C-H amination of arenes, overcoming the long-standing requirement for a redundant directing group. The remarkable advancements in functional group accommodation for precise regiochemical control were achieved through the discovery of an unprecedented organo-initiator and the strategic utilization of non-covalent interactions. This protocol has been successfully applied in the concise synthesis and late-stage derivatization of drug molecules, which would have been otherwise challenging to achieve.
作者机构:
[Zhang, Xiangqian; Chen, Yu; Deng, GZ; Feng, Huili; Deng, Ganzhen; Zhou, Qingqing] Huazhong Agr Univ, Coll Vet Med, State Key Lab Agr Microbiol, Wuhan 430070, Peoples R China.;[Liu, Shuang] Wuhan Univ Technol, Sch Mat Sci & Engn, 122 Luoshi Rd, Wuhan 430070, Peoples R China.;[Li, JR; Li, Junrong; Li, Chonglu] Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticides, Wuhan 430079, Peoples R China.;[Guan, Xiaofang] Wuhan Univ Sci & Technol, Hubei Prov Key Lab Occupat Hazard Identificat & C, Wuhan 430081, Peoples R China.;[Deng, Yun; Fu, Cheng] Jianghan Univ, Key Lab Optoelect Chem Mat & Devices, Minist Educ, Wuhan 430056, Peoples R China.
通讯机构:
[Liu, S ] W;[Li, JR ] C;[Deng, GZ ] H;Huazhong Agr Univ, Coll Vet Med, State Key Lab Agr Microbiol, Wuhan 430070, Peoples R China.;Wuhan Univ Technol, Sch Mat Sci & Engn, 122 Luoshi Rd, Wuhan 430070, Peoples R China.
摘要:
High efficiency, stability, long emission wavelength (NIR-II), and good biocompatibility are crucial for photosensitizers in phototherapy. However, current Food and Drug Administration (FDA)-approved organic fluorophores exhibit poor chemical stability and photostability as well as short emission wavelength, limiting their clinical usage. To address this, we developed Se-IR1100, a novel organic photosensitizer with a photostable and thermostable benzobisthiadiazole (BBTD) backbone. By incorporating selenium as a heavy atom and constructing a D-A-D structure, Se-IR1100 exhibits a maximum fluorescence emission wavelength of 1100 nm. Compared with FDA-approved indocyanine green (ICG), DSPE-PEGylated Se-IR1100 nanoparticles exhibit prominent photostability and long-lasting photothermal effects. Upon 808 nm laser irradiation, Se-IR1100 NPs efficiently convert light energy into heat and reactive oxygen species (ROS), inducing cancer cell death in cellular studies and living organisms while maintaining biocompatibility. With salient photostability and a photothermal conversion rate of 55.37%, Se-IR1100 NPs hold promise as a superior photosensitizer for diagnostic and therapeutic agents in oncology. Overall, we have designed and optimized a multifunctional photosensitizer Se-IR1100 with good biocompatibility that performs NIR-II fluorescence imaging and phototherapy. This dual-strategy method may offer novel approaches for the development of multifunctional probes using dual-strategy or even multi-strategy methods in bioimaging, disease diagnosis, and therapy. High efficiency, stability, long emission wavelength (NIR-II), and good biocompatibility are crucial for photosensitizers in phototherapy.