Prediction of the Photofading of Selected Derivatives of 5-(4-X-Phenylazo)-3-Cyano-1-(H or Ethyl)-6-Hydroxy-4-Methyl-2-Pyridone: Theoretical Studies, Comparison of AM1 and PM3 Methods

We analysed the photooxidation reaction in the electro-(1O2) and nucleophilic (O2•−) reaction of 2-pyridone azo derivatives. First, we calculated the energy (enthalpies) of tautomers formation, which is a measure of durability and the probability of their formation. We performed the light fastness calculations of the monoazopyridone dyes. Using the semi-empirical methods of quantum chemistry AM1 and PM3, the reactivity indicators of superdelocalisability (SrE(N)) and the electron density distribution in ground state on the highest occupied HOMO orbital and the lowest unoccupied excited state LUMO in 2-pyridone phenylazo derivatives were calculated. Superdelocalisability coefficients enable the stability to oxidising agents of various chemical molecules depending on the tautomeric forms in which they may occur. The results of the electron density calculations at the HOMO and LUMO boundary orbitals allow to determine the tendency to electrophilic attack with singlet oxygen 1O2 or nucleophilic attack of the superoxide anion O2•−on a specific atom in the molecule. The structure of the dyes was optimised with MM+, MD and AM1 or PM3 until a constant energy value was achieved with a convergence criterion of 0.01 kcal/mol.

Effects of Different Pretreatment Methods on Determination of Microelements in Feed

[ Objective] To study the effects of different pretreatment methods on determination of microelement in feed and thus find the best pre treatment method for each microetement, t Method] The samples （concentrated feeding stuff and fodder） were pretreated through throe methods, that is, dry incineration method, HNOs HCIO, wetdecomposition method and microwave digestion method. Then the content of seven kinds of mi croelement （AI, Ca, Cu, Fe, Mn, Se and Zn） was determined by inductively coupled plasma atomic emission spectrometer （ICPAES）. I Result] These three methods were all suitable for the determination of Cu, Mn and Zn in concentrated feeding stuff and the determination of Cu and Ca in fodder. The content of Cu and Ca was higher in fodder detected by HNO3 HCIO, wetdecomposition method. The microwave digestion method was suitable for the determination of AI and Ca in concentrated feeding stuff and the determination of AI, Fe, Mn and Zn in fodder. The dry incinera tion method was fit for the determination of Fe in concentrated feeding stuff. [ Condusionl The content of different microelements should be deter mined after the feed is treated with different Ioretreatment methods.

Autonomous determination of orbit for probe around asteroids using unscented Kalman filter

The observed images of the asteroid and the asteroid reference images are used to obtain the probe-to-asteroid direction and the location of the limb features of the asteroid in the inertial coordinate. These informa-tion in combination with the shape model of the asteroid and attitude information of the probe are utilized to ob-tain the position of the probe. The position information is then input to the UKF which determines the real-timeorbit of the probe. Finally, the autonomous orbit determination algorithm is validated using digital simulation.The determination of orbit using UKF is compared with that using extended Kalman filter (EKF), and the resultshows that UKF is superior to EKF.

Study on Determination Methods of Important Landscapes along the Mainstream of Yellow River

According to the response relationship between landscape and water resource,the selection principle of important landscapes was determined from the perspectives of nature and history in this study,and determination methods or steps of important landscapes along the mainstream of Yellow River were also established to select important landscapes that should be protected.

Electron Spin Resonance(ESR)Spectroscopy of the Transition-Metal Complexes and ClustersⅠ.Systematic Investigations of Real-and Complex-Orbital Methods for Calculating the d-Orbital Energies of a Low-Spin(S=1/2)nd^5(t_2~5,~2T_2

A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.

Integration of the Coupled Orbit-Attitude Dynamics Using Modified Chebyshev-Picard Iteration Methods

This paper presents Modified Chebyshev-Picard Iteration(MCPI)methods for long-term integration of the coupled orbit and attitude dynamics.Although most orbit predictions for operational satellites have assumed that the attitude dynamics is decoupled from the orbit dynamics,the fully coupled dynamics is required for the solutions of uncontrolled space debris and space objects with high area-to-mass ratio,for which cross sectional area is constantly changing leading to significant change on the solar radiation pressure and atmospheric drag.MCPI is a set of methods for solution of initial value problems and boundary value problems.The methods refine an orthogonal function approximation of long-time-interval segments of state trajectories iteratively by fusing Chebyshev polynomials with the classical Picard iteration and have been applied to multiple challenging aerospace problems.Through the studies on integrating a torque-free rigid body rotation and a long-term integration of the coupled orbit-attitude dynamics through the effect of solar radiation pressure,MCPI methods are shown to achieve several times speedup over the Runge-Kutta 7(8)methods with several orders of magnitudes of better accuracy.MCPI methods are further optimized by integrating the decoupled dynamics at the beginning of the iteration and coupling the full dynamics when the attitude solutions and orbit solutions are converging during the iteration.The approach of decoupling and then coupling during iterations provides a unique and promising perspective on the way to warm start the solution process for the longterm integration of the coupled orbit-attitude dynamics.Furthermore,an attractive feature of MCPI in maintaining the unity constraint for the integration of quaternions within machine accuracy is illustrated to be very appealing.

Progress in Determination Methods of Degradation Rate in Ruminants

Degradation rate of feed proteins in rumen is a basic indicator of new intestinal protein system of ruminants. In this paper, determination methods of degradation rate in tureen including in-vivo method, nylon bag method and artificial rumen method are compared in order to provide a reference for animal nutrition.

QSAR Study of Nitrobenzenes’ Toxicity to Tetrahymena Pyriformis Using Semi-empirical Quantum Chemical Methods

The molecular geometries and electronic structures of 30 nitrobenzenes have been calculated by using semi-empirical MO AM1 and PM3 methods. EHOMO, ELUMO, ENHOMO, ENLUMO, AE, QNO2, Qc and V were selected as the structural descriptors. The acute toxicity （-log/C50） of nitrobenzenes to tetrahymena pyriformis along with the above eight structural parameters was used to establish the quantitative structure-activity relationships （QSARs）. The results indicate that the established model based on AM I method is superior to that on PM3 method not only for the stability but also for the predictive powers of the model. Based on AM1 parameters, a further classifying discussion was presented for the study of nitrobenzene toxic mechanism. The results show that the substituents, nitro group and halogen substituents on the aromatic ring are crucial to the chemicals＇ toxicity. For nitrobenzenes without halogen or other substituent, the reduction of nitro group is the main route. However, for those with halogen substituents, their next lowest unoccupied molecular orbital may take part in the toxic action betweeen the chemicals and macromolecules, and ENLUMO has the most important effect on these chemicals＇ toxicity.

Estimation of Acute Toxicity of Ammonium Sulphate to the Fresh Water Catfish,Heteropneustes fossilis——Ⅰ.Analysis of LC_(50) Values Determined by Various Methods

The acute toxic effects of ammonium sulphate to fresh-water catfish, Heteropneustes fossilis (H.fossilis) have been studied by determining LC50 values with 95% confidence limits, by the graphic method, the logistic method, the Spearman and Karber method and the trimmed Spearman-Karber method. The trimmed Spearman-Karber method was found the most ideal for ammonium salt toxicity test. The flaws in the trimmed Spearman-Karber method are also discussed.

Precise orbit determination for low Earth orbit satellites using GNSS:Observations,models,and methods

Spaceborne global navigation satellite system(GNSS)has significantly revolutionized the development of autonomous orbit determination techniques for low Earth orbit satellites for decades.Using a state-of-the-art combination of GNSS observations and satellite dynamics,the absolute orbit determination for a single satellite reached a precision of 1 cm.Relative orbit determination(i.e.,precise baseline determination)for the dual satellites reached a precision of 1 mm.This paper reviews the recent advancements in GNSS products,observation processing,satellite gravitational and non-gravitational force modeling,and precise orbit determination methods.These key aspects have increased the precision of the orbit determination to fulfill the requirements of various scientific objectives.Finally,recommendations are made to further investigate multi-GNSS combinations,satellite high-fidelity geometric models,geometric offset calibration,and comprehensive orbit determination strategies for satellite constellations.

Relative orbit determination algorithm of space targets with passive observation

Angles-only relative orbit determination for space non-cooperative targets based on passive sensor is subject to weakly observable problem of the relative state between two spacecraft. Previously, the evidence for angles-only observability was found by using cylindrical dynamics, however, the solution of orbit determination is still not provided. This study develops a relative orbit determination algorithm with the cylindrical dynamics based on differential evolution. Firstly, the relative motion dynamics and line-of-sight measurement model for nearcircular orbit are established in cylindrical coordinate system.Secondly, the observability is qualitatively analyzed by using the dynamics and measurement model where the unobservable geometry is found. Then, the angles-only relative orbit determination problem is modeled into an optimal searching frame and an improved differential evolution algorithm is introduced to solve the problem. Finally, the proposed algorithm is verified and tested by a set of numerical simulations in the context of highEarth and low-Earth cases. The results show that initial relative orbit determination(IROD) solution with an appropriate accuracy in a relative short span is achieved, which can be used to initialize the navigation filter.

Oil Content Conversion between Ether-based and Ethanol-based Methods and Establishment of Admissible Error for Imported Wool

Due to various reasons, the inspection methods often need to be changed, and the detection reagents often need to be replaced. In this study, a comparative experiment was conducted between the ethanol-based and ether-based determination methods for oil content in imported wool. The determination results obtained from the two methods were treated as abscissa and ordinate respectively,and their linear relationship was analyzed. According to the linear regression analysis, the conversion equation of determination result between the two methods was obtained. In addition, the repeatability admissible error and reproducibility admissible error were established through analyzing the comparative experimental results by scientific software. This study will bring new ideas for further researches in this field, and provide reference for solving the similar problems in actual inspection work.

Advances in Studies on Extraction Methods and Physiological Activities of Jujube Flavonoids

Jujube is rich in nutrients and functional active ingredients. For example,jujube flavonoids have significant anti-oxidation,anticancer,antibacterial and anti-inflammatory functions. This paper elaborated the advances in the studies about the extraction methods,purification methods,antioxidant properties,stability and antibacterial effects of jujube flavonoids,in order to provide a certain reference for the study of jujube flavonoids.

COMPARISON OF TWO METHODS IN SATELLITE FORMATION FLYING

Recently, the research of dynamics and control of the satellite formation flying has been attracting a great deal of attentions of the researchers. The theory of the research was mainly based on Clohessy-Wiltshire' s (C-W's) equations, which describe the relative motion between two satellites. But according to some special examples and qualitative analysis , neither the initial parameters nor the period of the solution of C-W' s equations accord with the actual situation, and the conservation of energy is no longer held. A new method developed from orbital element description of single satellite , named relative orbital element method ( ROEM) , was introduced. This new method, with clear physics conception and wide application range, overcomes the limitation of C-W s equation , and the periodic solution is a natural conclusion. The simplified equation of the relative motion is obtained when the eccentricity of the main satellite is small. Finally, the results of the two methods (C-W' s equation and ROEM) are compared and the limitations of C-W s equations are pointed out and explained.

Comparison of two different methods for determining flow direction in catchment hydrological modeling

Digital elevation models （DEMs） are widely used to define the flow direction in distributed hydrological models for simulation of streamflow. In recent decades, numerous methods for flow direction determination have been applied successfully to mountainous regions. Nevertheless, some problems still exist when those methods are used for flat or gently sloped areas The present study reviews the conventional methods of determining flow direction for such landscapes and analyzes the problems of these methods. Two different methods of determining flow direction are discussed and were applied to the Xitiaoxi Catchment, located in the Taihu Basin in southern China, which has both mountainous and flat terrain. Both the agree method and the shortest path method use drainage networks derived from a remote sensing image to determine the correct location of the stream. The results indicate that the agree method provides a better fit with the DEM for the hilly region than the shortest path method. For the flat region where the flow has been diverted and rerouted by land managers, both methods require observation of the drainage network to determine the flow direction. In order to clarify the applicability of the two methods, both are employed in catchment hydrological models conceptually based on the Xinanjiang model and implemented with PCRaster. The simulation results show that both methods can be successfully applied in hydrological modeling. There are no evident differences in the modeled discharge when using the two methods at different spatial scales.

Fighting Poor Quality Medicines: Development, Transfer and Validation of Generic HPLC Methods for Analyzing Two WHO Recommended Antimalarial Tablets

As serious but neglected public health problems, poor quality medicines, i.e. for antimalarial medicines, urged to be fought. One of the approaches is to consider the analytical chemistry and separative techniques. In this study, a generic liquid chromatographic method was firstly developed for the purpose of screening 8 antimalarial active ingredients, namely amodiaquine (AQ), piperaquine (PPQ), sulfalene (SL), pyrimethamine (PM), lumefantrine (LF), artesunate (AS), artemether (AM) and dihydroartemisinine (DHA) by applying DoE/DS optimization strategy. Since the method was not totally satisfying in terms of peak separation, further experiments were undergone applying the same development strategy while splitting the 8 ingredients into five groups. Excellent prediction was observed prior to correlation between retention times of predicted and observed separation conditions. Then, a successful geometric transfer was realized to reduce the analysis time focusing on the simultaneous quantification of two WHO’s recommended ACTs in anti-malarial fixed-dose combination (AM-LF and AS-AQ) in tablets. The optimal separation was achieved using an isocratic elution of methanol-ammonium formate buffer (pH 2.8;10 mM) (82.5:17.5, v/v) at 0.6 ml/min through a C18 column (100 mm × 3.5 mm, 3.5 μm) thermostated at 25℃. After a successful validation stage based on the total error approach, the method was applied to determine the content of AM/LF or AS/AQ in seven brands of antimalarial tablets currently marketed in West, Central and East Africa. Satisfying results were obtained compared to the claimed contents.

On simulation of precise orbit determination of HY-2 with centimeter precision based on satellite-borne GPS technique

The HY-2 satellite carrying a satellite-borne GPS receiver is the first Chinese radar altimeter satellite, whose radial orbit determination precision must reach the centimeter level. Now HY-2 is in the test phase so that the observations are not openly released. In order to study the precise orbit determination precision and procedure for HY-2 based on the satellite- borne GPS technique, the satellite-borne GPS data are simulated in this paper. The HY-2 satellite-borne GPS antenna can receive at least seven GPS satellites each epoch, which can validate the GPS receiver and antenna design. What＇s more, the precise orbit determination processing flow is given and precise orbit determination experiments are conducted using the HY-2-borne GPS data with both the reduced-dynamic method and the kinematic geometry method. With the 1 and 3 mm phase data random errors, the radial orbit determination precision can achieve the centimeter level using these two methods and the kinematic orbit accuracy is slightly lower than that of the reduced-dynamic orbit. The earth gravity field model is an important factor which seriously affects the precise orbit determination of altimeter satellites. The reduced-dynamic orbit determination experiments are made with different earth gravity field models, such as EIGEN2, EGM96, TEG4, and GEMT3. Using a large number of high precision satellite-bome GPS data, the HY-2 precise orbit determination can reach the centimeter level with commonly used earth gravity field models up to above 50 degrees and orders.

THE EVALUATION METHODS OF VELVET ANTLER AND THE DETERMINATION OF NUCLEOSIDES AND STEROID HORMONES IN DIFFERENT PARTS FROM SIKA DEER AND RED DEER

Velvet antler is an important and precious traditional Chinese animal medicine,and was used for strengthening the kidney,anti-fatigue,improving sexual function and so on.But the evaluation methods of velvet antler and the scientific evidence for the use of antler is insufficient.Materials and Vacuum freeze drier was used for dehydration of the fresh antler at-60.,6 pa for 24 h.

Influence of higher-order ionospheric delay correction on GPS precise orbit determination and precise positioning

At present, Global Navigation Satellite Systems（GNSS） users usually eliminate the influence of ionospheric delay of the first order items by dual-frequency ionosphere-free combination. But there is still residual ionospheric delay error of higher order term. The influence of the higher-order ionospheric corrections on both GPS precision orbit determination and static Precise Point Positioning（PPP） are studied in this paper. The influence of higher-order corrections on GPS precision orbit determination, GPS observations and static PPP are analyzed by neglecting or considering the higher-order ionospheric corrections by using a globally distributed network which is composed of International GNSS Service（IGS） tracking stations. Numerical experimental results show that, the root mean square（RMS） in three dimensions of satellite orbit is 36.6 mme35.5 mm. The maximal second-order ionospheric correction is 9 cm, and the maximal third-order ionospheric correction is 1 cm. Higher-order corrections are influenced by latitude and station distribution. PPP is within 3 mm in the directions of east and up. Furthermore, the impact is mainly visible in the direction of north, showing a southward migration trend, especially at the lower latitudes where the influence value is likely to be bigger than 3 mm.

High Precision Orbit Determination of CHAMP Satellite

The precision orbit determination of challenging minisatellite payload(CHAMP) satellite was done based on position and navigation data analyst(PANDA) software which is developed in Wuhan University, using the onboard GPS data of year 2002 from day 126 to 131. The orbit accuracy was assessed by analyzing the difference from GFZ post-processed science orbits (PSO), the GPS carrier and pseudo-range data residuals and the satellite laser ranging (SLR) residuals.