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Principle of nonlinear chemical fingerprint by using dissipative components in samples as well as calculation and evaluation of similarity

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Science China Chemistry 2012年第2期55卷 304-322页

作者： ZHANG TaiMing ZHAO Zhe FANG XuanQi qiao junxi XIANG FengQin ZHU Rong LIANG YiZeng DING Feng College of Chemistry and Chemical Engineering Central South University Changsha 410083 China Hunan Research Institute for Supervising and Verifying Food Quality Changsha 410002 China

Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potential-time relationship curve of the nonlinear chemical reaction *** it as the character,and using the B-Z nonlinear chemical system to use acetone and substrates in samples as main dissipative substances qua an example,the principle of nonlinear chemical fingerprint has been researched and discussed in *** the same time,the general method for calculating the system similarity about nonlinear chemical fingerprint was also put forward,and similarities of nonlinear chemistry fingerprints of different batches of Guhan Yangshengjing and 18 sorts of other samples were calculated by Euclidean distance,correlation coefficient,included angle cosine and system similarity,at the same time,the various similarities were *** results showed that,both of correlation coefficient and included angle cosine are unable to be used as the criterion for quantitatively evaluating the similarity of nonlinear chemistry fingerprint;as non-parametric similarity,Euclidean distance can accurately reflect the feature differences in the fingerprints,but as parametric similarity,sometimes,Euclidean distance can not accurately reflect the relative extent of characteristic difference in the nonlinear chemical fingerprints;system similarity can most truthfully reflect the characteristic difference in the nonlinear chemical fingerprints,and is the best evaluating method among the four ***,system similarity can be used to quantitatively calculate the similar extent between the nonlinear chemical *** economical,simple and convenient,easy pushing and effective method for identifying and evaluating complicated samples has successfully been put forward.

关键词： dissipative components nonlinear chemical fingerprint principle system similarity identification evaluation sample

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Application of nonlinear chemical fingerprinting to identification,evaluation and clinical use of Glycyrrhiza

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Chinese Science Bulletin 2010年第26期55卷 2937-2944页

作者： FANG XuanQi ZHANG TaiMing ZHAO Zhe XIANG FengQin LIANG YiZeng WANG Mei ZHU Rong CHEN Su qiao junxi College of Chemistry and Chemical Engineering Central South University Changsha 410083 China Institute oflnformation Science and Engineering Central South University Changsha 410083 China

Nonlinear chemical fingerprinting is a new technique for analyzing traditional Chinese medicines (TCMs). We developed such a method and applied it to Glycyrrhiza, a significant TCM. Nonlinear chemical fingerprints were obtained for Glycyrrhiza from four different production areas, and for 14 other TCMs with similar induction time. The calculation of their similarities was based on similarity system theory. Using intuitive visual comparison of the data and the similarity calculation results, Glycyrrhiza was discriminated from the 14 other TCMs. There was a linear relationship between the content of active TCM components and the induction time. This was used to compare the content of active components in Glycyrrhiza from the four different production areas, and establish an equivalent-dose relationship for these four samples. This method provides a new tool for discrimination and evaluation of Glycyrrhiza, and a dosage reference for clinical application of Glycyrrhiza from the four regions studied.

关键词：指纹图谱分析非线性化学甘草临床使用相似系统理论中药成分识别评估

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Determining method,conditional factors,traits and applications of nonlinear chemical fingerprint by using dissipative components in samples

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Science China Chemistry 2012年第9期55卷 285-303页

The thermodynamic systems and dynamic model suitable for determining the nonlinear chemical fingerprints of samples were *** results indicated that the damp nonlinear chemical reactions in close systems away from the equilibrium and open systems without the complementarity of the dissipation substances have important significance for the throng characterization and whole content analysis of chemical components in *** factors influencing on nonlinear chemical fingerprint,such as reactant species and their concentrations,electrode types,temperature,stir rate,the sort,dosage and granularity of the sample,*** amply researched by a nonlinear chemistry reaction,namely,damp B-Z oscillation which used acetone and glucose as the main dissipative *** addition,the quantitative information on the whole of chemical components in samples and the traits and applications of the fingerprint were *** method and its important conditions for determining nonlinear chemistry fingerprint used in distinguishing and evaluating complex samples were successfully put forward.

关键词： nonlinear chemical fingerprint dissipative components in samples determining method condition factor authenticityidentification quality evaluation sample

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A visible-light-assisted Pd/TiO_(2)gas sensor with carbon nanotubes electrodes for trace formaldehyde detection

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Rare Metals 2024年第1期43卷 257-266页

作者： Can Liu qiao-qiao Zou Bin Liu Yong Zhang School of Physics and Optoelectronics Xiangtan UniversityXiangtan 411105China Hunan Institute of Advanced Sensing and Information Technology Xiangtan UniversityXiangtan 411105China School of Materials Science and Engineering Xiangtan UniversityXiangtan 411105China

Owing to the ppb-level detection standard toward the toxic and harmful gas,the detection of trace gases has become an important subject in the field of indoor environment ***,the traditional resistive gas sensors hardly meet the requirement due to the weak signal generated by trace gas molecules that are difficult to ***,a visible-light-assisted Pd/TiO_(2)gas sensor is proposed to endow the effective detection of trace formaldehyde(HCHO)gas without heating *** from the enhanced photocatalytic properties of TiO_(2)by Pd decoration,the visible-light-assisted Pd/TiO_(2)gas sensor can detect the HCHO gas as low as80×10^(–9)at room *** successful preparation of nanoscale TiO_(2)sensing layer is facilitated by the ultrathin carbon nanotube interdigital electrode in the gas sensor,which avoids the discontinuity of the sensing layer caused by the excessive thickness of the traditional metal *** addition,the whole preparation process of the Pd/TiO_(2)gas sensor with carbon nanotube electrodes is compatible with mainstream CMOS fabrication technology,which is expected to realize the batch fabrication and micro-integrated application of gas *** is expected that our work can provide a new strategy for the batch preparation of high-performance trace HCHO gas sensors and their future applications in portable electronic devices such as smartphones.

关键词： Visible-light-assisted gas sensor Pd/TiO_(2) Trace HCHO detection Carbon nanotubes electrodes

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ROS-responsive hydrogels with spatiotemporally sequential delivery of antibacterial and anti-inflammatory drugs for the repair of MRSA-infected wounds

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Regenerative Biomaterials 2024年第1期3卷 119-131页

作者： Bowen qiao Jiaxin Wang Lipeng qiao Aziz Maleki Yongping Liang Baolin Guo Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research College of StomatologyXi’an Jiaotong UniversityXi’an 710049China State Key Laboratory for Mechanical Behavior of Materials Frontier Institute of Science and TechnologyXi’an Jiaotong UniversityXi’an 710049China Zanjan Pharmaceutical Nanotechnology Research Center(ZPNRC) Zanjan 45139-56184Iran Department of Orthopaedics The First Affiliated Hospital of Xi’an Jiaotong UniversityXi’an 710061People’s Republic of China

For the treatment of MRSA-infected wounds,the spatiotemporally sequential delivery of antibacterial and anti-inflammatory drugs is a promising *** this study,ROS-responsive HA-PBA/PVA(HPA)hydrogel was prepared by phenylborate ester bond cross-linking between hyaluronic acid-grafted 3-amino phenylboronic acid(HA-PBA)and polyvinyl alcohol(PVA)to achieve spatiotemporally controlled release of two kinds of drug to treat MRSA-infected *** hydrophilic antibiotic moxifloxacin(M)was directly loaded in the *** hydrophobic curcumin(Cur)with anti-inflammatory function was first mixed with Pluronic F127(PF)to form Cur-encapsulated PF micelles(Cur-PF),and then loaded into the HPA *** to the different hydrophilic and hydrophobic nature of moxifloxacin and Cur and their different existing forms in the HPA hydrogel,the final HPA/M&Cur-PF hydrogel can achieve different spatiotemporally sequential delivery of the two *** addition,the swelling,degradation,self-healing,antibacterial,anti-inflammatory,antioxidant property,and biocompatibility of hydrogels were ***,in the MRSA-infected mouse skin wound,the hydrogel-treated group showed faster wound closure,less inflammation and more collagen *** experiments further confirmed that the hydrogel promoted better repair by reducing inflammation(TNF-a)and promoting vascular(VEGF)*** conclusion,this HPA/M&CurPF hydrogel that can spatiotemporally sequential deliver antibacterial and anti-inflammatory drugs showed great potential for the repair of MRSA-infected skin wounds.

关键词： MRSA-infected wounds spatiotemporally sequential delivery antibacterial anti-inflammatory

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Data-Driven Direct Adaptive Risk-Sensitive Control of Stochastic Systems

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Journal of Systems Science & Complexity 2024年第4期37卷 1446-1469页

作者： qiao Nan LI Tao School of Mathematical Sciences East China Normal UniversityShanghai 200241China Shanghai Key Laboratory of Pure Mathematics and Mathematical Practice School of Mathematical SciencesEast China Normal UniversityShanghai 200241China

The authors propose a data-driven direct adaptive control law based on the adaptive dynamic programming(ADP) algorithm for continuous-time stochastic linear systems with partially unknown system dynamics and infinite horizon quadratic risk-sensitive *** authors use online data of the system to iteratively solve the generalized algebraic Riccati equation(GARE) and to learn the optimal control law *** the case with measurable system noises,the authors show that the adaptive control law approximates the optimal control law as time goes *** the case with unmeasurable system noises,the authors use the least-square solution calculated only from the measurable data instead of the real solution of the regression equation to iteratively solve the *** authors also study the influences of the intensity of the system noises,the intensity of the exploration noises,the initial iterative matrix,and the sampling period on the convergence of the ADP ***,the authors present two numerical simulation examples to demonstrate the effectiveness of the proposed algorithms.

关键词： Adaptive dynamic programming direct adaptive control generalized algebraic Riccati equation risk-sensitive control

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The spectrum and stability of travelling pulses in a coupled FitzHugh-Nagumo equation

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Science China Mathematics 2024年第5期67卷 975-1010页

作者： Qi qiao Xiang Zhang School of Mathematical Sciences Shanghai Jiao Tong UniversityShanghai 200240China Key Laboratory of Scientific and Engineering Computing(Ministry of Education) and Shanghai Frontier Science Center of Modern Analysis(CMA-Shanghai)Shanghai Jiao Tong UniversityShanghai 200240China

For a coupled slow-fast FitzHugh-Nagumo(FHN)equation derived from a reaction-diffusionmechanics(RDM)model,Holzer et al.(2013)studied the existence and stability of the travelling pulse,which consists of two fast orbit arcs and two slow ones,where one fast segment passes the unique fold point with algebraic decreasing and two slow ones follow normally hyperbolic critical curve *** and Zhang(2021)obtained the existence of the travelling pulse,whose two fast orbit arcs both exponentially decrease,and one of the slow orbit arcs could be normally hyperbolic or not at the ***,we characterize both the nonlinear and spectral stability of this travelling pulse.

关键词： coupled FitzHugh-Nagumo equation singular perturbation travelling pulse spectrum nonlinear stability spectral stability

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Spin Resolved Zero-Line Modes in Minimally Twisted Bilayer Graphene from Exchange Field and Gate Voltage

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Chinese Physics Letters 2024年第7期41卷 111-116页

作者： Sanyi You Jiaqi An Zhenhua qiao International Centre for Quantum Design of Functional Materials CAS Key Laboratory of Strongly Coupled Quantum Matter Physicsand Department of PhysicsUniversity of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

The reliance on spin-orbit coupling or strong magnetic fields has always posed significant challenges for the mass production and even laboratory realization of most topological materials. Valley-based topological zero-line modes have attracted widespread attention due to their substantial advantage of being initially realizable with just an external electric field. However, the uncontrollable nature of electrode alignment and precise fabrication has greatly hindered the advancement in this field. By utilizing minimally twisted bilayer graphene and introducing exchange fields from magnetic substrates, we successfully realize a spin-resolved, electrode-free topological zeroline mode. Further integration of electrodes that do not require alignment considerations significantly enhances the tunability of the system's band structure. Our approach offers a promising new support for the dazzling potential of topological zero-line mode in the realm of low-energy-consumption electronics.

关键词： structure field topological

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Supercoiled DNA Minicircles under Double-strand Breaks

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Chinese Journal of Polymer Science 2024年第9期42卷 1353-1359,I0007页

作者： Ye-Peng qiao Chun-Lai Ren National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing210093China

Understanding how supercoiled DNA releases intramolecular stress is essential for its functional ***,the molecular mechanism underlying the relaxation process remains insufficiently *** we employed MD simulations based on the oxDNA2 model to investigate the relaxation process of a 336-base pair supercoiled minicircular DNA under double-strand breaks with two fixed *** simulations show that the conformational changes in the DNA occur continuously,with intramolecular stress release happening abruptly only when the DNA chain traverses the breakage *** relaxation process is influenced not only by the separation distance between the fixed ends but also their ***,we observe an inhibitory effect on the relaxation characterized by small angles,where short terminal loops impede DNA conformational adjustments,preserving the supercoiled *** findings elucidate the intricate interplay between DNA conformational change,DNA motion and intramolecular stress release,shedding light on the mechanisms governing the relaxation of supercoiled DNA at the molecular level.

关键词： Supercoiled DNA DNA minicircle DNA relaxation oxDNA model MD simulation

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Superatom-assembled boranes,carboranes,and low-dimensional boron nanomaterials based on aromatic icosahedral B_(12)and C_(2)B_(10)

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Nano Research 2024年第7期17卷 6734-6740页

作者： qiao-qiao Yan Yan-Fang Wei Qiang Chen Yue-Wen Mu Si-Dian Li Institute of Molecular Science Shanxi UniversityTaiyuan 030006China

Using the experimentally known aromatic icosahedral superatoms I_(h)B_(12)H_(12)2−and D_(5d)1,12-C_(2)B_(10)H_(12)as building blocks and based on extensive density functional theory calculations,we predict herein a series of core–shell superpolyhedral boranes and carboranes in a bottom-up approach,including the high-symmetry Th B_(12)@B_(152)H_(72)2−(2),C2h C_(2)B_(10)@B_(152)H_(72)(3),D_(3d)B_(12)@B_(144)H_(66)(4),I_(h)B_(12)@C_(24)B_(12)0H_(72)2−(6),and D_(5d)C_(2)B_(10)@C_(24)B_(12)0H_(72)(7).More interestingly,the superatom-assembled linear D2h B_(36)H_(32)^(2−)(8),close-packed planar D_(3d)B_(84)H_(60)^(2−)(10),and nearly close-packed core−shell D_(3d)B_(12)@B144H_(6)6(4)can be extended periodically to form the one-dimensional(1D)α-rhombohedral borane nanowire B_(12)H_(10)(Pmmm)(9),two-dimensional(2D)α-rhombohedral monolayer borophane B_(12)H_(6)(P m1)(11),and the experimentally known three-dimensional(3D)α-rhombohedral boron(R m)(12)which can be viewed as an assembly of the monolayer B_(12)H_(6)(11)staggered in vertical direction,setting up a bottom-up strategy to form low-dimensional boron-based nanomaterials from their borane“seeds”via partial or complete *** bonding analyses indicate that the high stability of these nanostructures originates from the spherical aromaticity of their icosahedral B_(12)or C_(2)B_(10)structural units which possess the universal skeleton electronic configuration of 1S21P61D101F8 following the Wade’s n+1 *** infrared(IR)and Raman spectra of the most-concerned neutral B_(12)@B144H_(6)6(4)and C_(2)B_(10)@C_(24)B_(12)0H_(72)(7)are computationally simulated to facilitate their experimental characterizations.

关键词： superatom-assembling bottom-up approach density functional theory superpolyhedral boranes superpolyhedral carboranes borophanes

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