105 results about "Cell parameter" patented technology

The invention provides a baricitinib phthalate crystal form, and relates to the technical field of crystal form drug molecules. The crystal form is radiated by Cu-K alpha, and an X-ray diffraction pattern represented by 2 theta has characteristic peaks at 6.20 + / -0.2 degrees, 6.53 + / -0.2 degrees, 14.53 + / -0.2 degrees, 18.29 + / -0.2 degrees, 18.53 + / -0.2 degrees, 18.70 + / -0.2 degrees, 19.44 + / -0.2 degrees and 26.95 + / -0.2 degrees; the crystallographic measurement parameters are as follows: an orthorhombic system is adopted, and the space group is Pbcn; the cell parameters are as follows: # imgabs 0 # alpha = 90 degrees, beta = 90 degrees, gamma = 90 degrees, and the cell volume # imgabs 1 #. The invention also provides a related preparation method and application. The baricitinib phthalate crystal form disclosed by the invention is good in stability and relatively high in solubility and permeability.

The invention provides a parameter determination method and device of a cohesion unit, and relates to the technical field of rock engineering. The method comprises the following steps: constructing a numerical model of a rock to be measured, which comprises a rock matrix unit and an embedded cohesion unit; applying a preset load to the to-be-tested rock for experimental testing to obtain a first stress-strain curve and a first peak point in the first stress-strain curve; constructing an objective function of a simulated annealing algorithm based on a stress error and a strain error between the first peak point and the second peak point; the second peak point is obtained by performing numerical simulation on the numerical model; and iteratively updating the current parameter value of the cohesion unit by adopting a simulated annealing algorithm and an objective function thereof to obtain an optimal parameter value. The parameters of the cohesion unit are automatically optimized and calibrated based on the simulated annealing algorithm, the calibration efficiency of the parameters of the cohesion unit in rock simulation can be remarkably improved, a large amount of time and manpower resources are saved on the basis of guaranteeing the parameter calibration accuracy, and the numerical simulation result is more reliable.

The invention discloses a cell morphology dynamic monitoring method and system fused with time sequence image analysis, and the method comprises the steps: firstly obtaining a time sequence image sequence of a cell at a plurality of continuous time points, and extracting an initial feature vector set containing the morphology, size, texture and the like of the cell; inputting the time sequence image into a time sequence image multi-focus fusion model to obtain a fusion feature vector, and forming a refined feature vector through dimension transformation and feature screening; and inputting an improved long-short-term memory network to learn a cell state evolution mode, determining the state of the cell at each time point, generating a change track and predicting a future state. The system comprises an image acquisition and initial feature extraction unit, a time sequence image multi-focus fusion unit, a dimension transformation and feature screening unit, an improved long-short-term memory network unit, a cell state determination unit and a cell state prediction unit, all the units are connected in sequence, image features at different time points are associated through a fusion model, the network is optimized in combination with cell parameters, and the cell state is predicted. The accurate monitoring on the dynamic change of the cell morphology is realized.

The invention relates to a crystal variation self-coding generation method based on feature decoupling and mask optimization, a medium and a program product. The crystal variation self-coding generation method comprises the following steps: extracting atomic absolute position features, unit cell parameter features, component features and mask features of a crystal; preprocessing the features; performing learning training on the variational auto-encoder model to enable the variational auto-encoder model to learn internal representation of crystal features; and generating features by using the trained variational auto-encoder model, decoding the generated features by generating codes, splicing component vectors and element coordinates to obtain a corresponding relation, and finally generating a new crystal structure. Compared with the prior art, the feature extraction method and the model architecture have the advantages that the understandability of the features and the accuracy of description are improved, the model learning training is more efficient, the key information of the crystal structure can be more accurately captured, and a solid foundation is provided for generating a new crystal structure.

The invention belongs to the technical field of chiral material preparation, and particularly relates to a one-dimensional bismuth-based chiral perovskite crystal and a preparation method and application thereof. The general formula of the chiral perovskite crystal is (R-beta-MPA) 2BiI5 or (S-beta-MPA) 2BiI5, the chemical formula of the chiral perovskite crystal is C18H28BiI5N2, the R-beta-MPA represents (R)-(+)-beta-methyl phenylethylamine, the S-beta-MPA represents (S)-(-)-beta-methyl phenylethylamine, the R-beta-MPA represents (R)-(+)-beta-methyl phenylethylamine, and the S-beta-MPA represents (S)-(-)-beta-methyl phenylethylamine. The crystallographic data of the (R-beta-MPA) 2BiI5 include that the crystal belongs to an orthorhombic crystal system and a P212121 space group, and the cell parameters are as follows: alpha is equal to 90 degrees, beta is equal to 90 degrees, and gamma is equal to 90 degrees; the crystallographic data of the (S-beta-MPA) 2BiI5 comprises that the crystal belongs to an orthorhombic crystal system and a P212121 space group, and the cell parameters are as follows: alpha is equal to 90 degrees, beta is equal to 90 degrees, and gamma is equal to 90 degrees.

This invention relates to the field of chemical pharmaceuticals, and more particularly to a mebendazole crystal form and its preparation method. The mebendazole crystal form has a single-crystal structure belonging to the triclinic crystal system; space group Triclinic P; cell parameters a = 6.10 Å, b = 15.69 Å, c = 20.35 Å; α = 94.14°; β = 97.22°, γ = 90.70°, V = 1926 Å. 3 The optimization and development of the crystalline form of p-toluimidazole provided by this invention is of great value.

This application discloses an inorganic compound crystal, its preparation method, and its applications. The inorganic compound crystal has the chemical formula Ga2(OH)(TeO3)(Te2O5)Br, belongs to the orthorhombic crystal system, has a space group of Pca21, and unit cell parameters α=β=γ=90°, Z=4. The inorganic compound crystal is prepared using a hydrothermal method. Under 1064nm laser irradiation, the powder frequency doubling intensity of the inorganic compound crystal Ga2(OH)(TeO3)(Te2O5)Br is 9.8 times that of KH2PO4(KDP), and phase matching can be achieved, indicating its significant potential application value as a nonlinear optical material.

The present invention provides a method for calculating the diffraction ability of a crystal with an unknown structure and a method for quantitative phase analysis, the method comprising: S1, constructing a hypothetical crystal, the hypothetical crystal having the same unit cell parameters as the crystal under study, and having only one atom at the unit cell origin of the hypothetical crystal, the type of the atom being the same as the type of one of the atoms in the unit cell of the crystal under study, and calculating the diffraction ability of the unit cell of the hypothetical crystal to X-rays; S2, executing the calculation process of S1 for each atom in the unit cell of the crystal under study, accumulating the diffraction abilities of the unit cells of all hypothetical crystals to X-rays, and obtaining the diffraction ability of the unit cell of the crystal under study to X-rays. The calculation method provided by the present invention can use X-ray powder diffraction data to perform quantitative phase analysis on a mixed substance containing a crystal phase with an unknown structure.

This invention relates to a method for calculating the reference intensity of a crystal phase with an unknown structure and its application. The calculation method does not require complete crystal structure information. The reference intensity of the crystal phase can be calculated based only on the unit cell parameters, unit cell chemical composition, and diffraction intensity or relative diffraction intensity of the diffraction lines. It has high accuracy and does not require additional experimental work, thus providing a basis for quantitative phase analysis using reference intensity information.

The invention discloses a cocrystal formed by gliclazide and 2-methylimidazole and a preparation method thereof, and relates to the fields of medicine and crystal technology. The gliclazide-2-methylimidazole cocrystal has the following unit cell parameters: the crystal system category is monoclinic system; the space group is P21, the unit cell length b=21.6819(9), c=13.4019(6); the unit cell angle (°) α=90, β=104.325(4), γ=90, etc. The gliclazide-2-methylimidazole cocrystal can be obtained by a solvent volatilization method and a grinding method. The gliclazide-2-methylimidazole cocrystal of the invention is a new crystal form different from gliclazide and 2-methylimidazole, has better water solubility and alcohol solubility than gliclazide, and has greatly improved thermal stability and light stability, thereby expanding the application prospect of gliclazide.

A method (200) is disclosed for training a policy ML model to manage a parameter in a cell of a communication network. The method comprises obtaining a training data set comprising, for a plurality of cells, CTR data and a corresponding value of the parameter (210), and converting the CTR data to histograms (220). The method also comprises using the training data set to simultaneously train (230) a CNN to generate a reduced dimensionality latent representation of the histograms, and a DNN to predict values of the parameter from an input comprising the latent representations generated by the CNN. The method also comprises using a Reinforcement Learning process to train a policy ML model to generate control actions for the parameter in a cell from an input comprising a representation of the state of the cell, wherein the cell state representation comprises a latent representation of a histogram of CTR data for the cell, the latent representation generated by the trained CNN.

The invention discloses a tantalum phosphate nonlinear optical crystal as well as a preparation method and application thereof. The chemical formula of the nonlinear optical crystal is Na11Ta8P7O43, the nonlinear optical crystal belongs to a monoclinic system, the space group is Cc, the nonlinear optical crystal is of a non-centrosymmetric structure, and the cell parameters are respectively # imgabs0 # beta = 92.304 (2) degrees and Z = 4. The tantalum phosphate nonlinear optical crystal belongs to a monoclinic system, the space group is Cc, and the tantalum phosphate nonlinear optical crystal has a good nonlinear optical effect, a short cut-off edge and a high indirect band gap.

Cell parameters of the crystal compound are as follows: diffraction data are collected in an omega-theta scanning mode by using MoK alpha rays monochromatized by a graphite monochromator on an Oxford X-ray single crystal diffractometer at the temperature of 273 k, and the crystal compound is characterized in that the crystal belongs to a triclinic system, P-1; the cell parameters are as follows: alpha is equal to 79.857 (3) degrees; beta is equal to 87.082 (3) degrees; gamma is equal to 87.829 (3) degrees; the synthesis method of the crystal chlorine compound (I) comprises the following steps: weighing 0.02 35 g of benzophenone hydrazone and 0.6720 g of 1.0 g of 7-chloroisatin and acetic acid ketone monohydrate complex, putting into a 150mL flask, adding 100.0 mL of chlorobenzene as a solvent, stirring at room temperature for 48 hours, carrying out column chromatography separation, eluting with petroleum ether / dichloromethane (1 / 1), and carrying out vacuum drying to obtain the crystal chlorine compound (I). And naturally volatilizing the collected front component points to obtain the target crystal compound I, namely the 6-bromo-3-diphenylmethylene indoline-2-ketone crystal. The application of the crystal chlorine compound (I) is that the crystal chlorine compound (I) has a relatively strong inhibition effect on epidermophyton flocculent, and the IC50 value of the crystal chlorine compound (I) is 0.063 + / -0.008.

The present invention relates to a method and system for evaluating the effect of doping and modifying layered oxide positive electrode materials, and belongs to the technical field of battery materials. The method of the present invention for evaluating the effect of doping and modifying layered oxide positive electrode materials establishes and optimizes a unit cell model and a surface model of the layered oxide positive electrode material, then dopes a target doping element into different sites, and determines the thermodynamically stable sites of the doping element after comparing the formation energies. This method can fully consider the doping effect corresponding to each site, avoid omissions, and improve the accuracy of the results. Finally, based on the unit cell parameter data and thermodynamic data of the stable unit cell model and the target structure model, the influence relationship of the target doping element on the electrochemical properties of the target layered oxide positive electrode material is determined. Then, based on the influence relationship and actual needs, the target doping element is evaluated, which can effectively improve the evaluation efficiency of the doping modification of the doping element and provide relatively accurate evaluation results.

This invention discloses a barium borate crystal, its preparation method, and its applications. The barium borate crystal has the chemical formula Ba₂BeB₂O₆, a non-centrosymmetric structure, belongs to the orthorhombic crystal system, has the space group Pca₂₁, and its cell parameters are α = 90°, β = 90°, and γ = 90°. This barium borate crystal exhibits extremely low birefringence from the ultraviolet to the infrared band, and its extremely low birefringence supports its application on zero-order glass slides.

The invention discloses a fluorescent sensing crystal material for detecting Al < 3 + > as well as a preparation method and application of the fluorescent sensing crystal material. Specifically, the crystal belongs to a triclinic system, the space group is # imgabs 0 #, the molecular formula is C65H56N2O8Zn2, the molecular weight is 1123.97, and the cell parameters are as follows: # imgabs 1 # alpha is equal to 103.131 (4) degrees, beta is equal to 102.942 (5) degrees, and gamma is equal to 101.406 (5) degrees; the prepared material has a clear space structure and an accurate molecular formula, and the crystal material can efficiently and rapidly detect Al < 3 + > ions, and has a wide application prospect as a fluorescence sensor. The technology has the advantages of simplicity in operation, low cost, stable performance and the like.

This invention relates to a method for preparing a nonlinear optical material and its application, specifically a magnesium aminodiacetate dihydrate compound. The molecular formula of the crystal is Mg[NH2(CH2COO)2]·2H2O. The Mg[NH2(CH2COO)2]·2H2O crystal does not have a center of symmetry, belongs to the tetragonal crystal system, has a space group of P-421c, and has cell parameters of α=β=γ=90°, Z=2. The nonlinear optical crystal of this invention has a large frequency doubling effect; at the same time, its ultraviolet absorption edge is 225nm, thus belonging to the tetragonal crystal system, with a space group of P-421c and cell parameters of α=β=γ=90°, Z=2. The nonlinear optical crystal can achieve the second harmonic of Nd:YAG (λ=1.064μm); and it can be predicted that the Mg[NH2(CH2COO)2]·2H2O crystal can be used in the third harmonic generator of Nd:YAG.

The present application relates to the technical field of computers, and relates to a kind of amorphous material atomic structure multiscale automatic analysis method. Including: step S1: with reactant as initial unit, based on first principle molecular dynamics simulation obtains the cluster unit of reaction product;Step S2: the cluster unit is constructed, and its cell parameters and atomic coordinates are optimized using first principle calculation, to obtain cell unit;Step S3: the cell unit is stacked in space, and its cell parameters and atomic coordinates are optimized using first principle calculation, to obtain supercell unit;Step S4: the supercell unit is simulated by first principle molecular dynamics, to obtain accurate machine learning potential function;Step S5: the supercell unit is constructed by cell expansion, and the molecular dynamics simulation is carried out using accurate machine learning potential function, to obtain amorphous material atomic structure;Step S6: steps S1 to S5 are packaged into automation workflow. The method is efficient, and the error is small.

The X-ray powder diffraction pattern of the crystal form I of levornidazole phosphate of the present invention has characteristic peaks at the diffraction angle 2θ of 13.5, 14.7, 17.1, 19.9, 20.1, 20.8, 23.2, 23.4, 23.7, 23.9, 24.2, 25.6, 26.1, 28.0 and 28.3; and the crystal form belongs to the triclinic crystal system and the P1 space group, and the unit cell parameters and the calculated unit cell volume of the crystal form are as follows: (I). The crystal form I of levornidazole phosphate provided in the present invention has a high purity and a good crystal form stability; and a preparation method therefor is simple and convenient, and is suitable for industrial production.

The invention relates to a second-order nonlinear optical material crystal amino methanesulfonic acid as well as preparation and application thereof. The chemical formula of the crystal is O3SCH2NH3, the molecular weight of the crystal is 111.12, the crystal belongs to a monoclinic system, the space group of the crystal is Cm, the cell parameters are alpha = gamma = 90 degrees, beta = 129.7-131.7 degrees, Z = 2, and the cell volume of the crystal is structurally characterized in that the crystalline material is a three-dimensional frame formed by connecting [O3SCH2NH3] elements through hydrogen-bond interaction. The amino methanesulfonic acid crystal material has excellent optical performance, and under 1064nm laser irradiation, the powder frequency doubling intensity is about 3.8 times that of a KH2PO4 (KDP) crystal; under the irradiation of 532 nm laser, the frequency doubling strength of the powder is about 0.7 time of that of the beta-BaB2O4 (BBO) crystal, and phase matching can be realized. Besides, the crystal material has moderate birefringence at 546 nm, the ultraviolet absorption cut-off edge is smaller than 170 nm, and the crystal material has stable physical and chemical properties and has important application value in the photoelectric fields of photoetching, laser frequency conversion, environmental monitoring and the like.

The present invention relates to the technical field of mathematical modeling, and in particular, to a method for determining cell parameters for simulation modeling of honeycomb barriers. Equivalent cell expansion is performed according to the unit size of the physical barrier to determine the proportional relationship between the span and thickness of the equivalent cell; meshing is performed in the non-planar thickness direction of the equivalent cell; in a simulation environment, a cell wall discrete model is constructed using thin plate units; based on the proportional relationship, the number of cells in the coplanar lateral direction, the number of cells in the coplanar longitudinal direction and the cell wall thickness of the cell wall discrete model are optimized with the goal of minimizing the peak load during the collision, minimizing the deformation distance of the cell wall discrete model, and maximizing the absorbed energy of the cell wall discrete model. The present invention improves the simulation efficiency of the model while accurately simulating the deformation process in the physical barrier collision.

The invention provides a compound beta-cesium-cadmium-silicon-sulfur and a beta-cesium-cadmium-silicon-sulfur nonlinear optical crystal as well as a preparation method and application thereof, the chemical formula of the compound is beta-Cs2CdSi4S10, the molecular weight of the compound is 755.04, the chemical formula of the crystal is beta-Cs2CdSi4S10, and the molecular weight of the crystal is 755.04. The beta-Cs2CdSi4S10 crystal belongs to a tetragonal crystal system, the space group is I-4, the cell parameters are as follows: a = 8.4233 (7), c = 14.6136 (12) and the unit cell volume is 1036.86 (19) 3, the crystal is prepared by adopting a vacuum tube sealing method, and the frequency-doubled effect of the beta-Cs2CdSi4S10 crystal measured by using a kurtz-Perry method is about 1.1-1.2 times that of AgGaS2 (AGS); the band gap of the crystal measured by an ultraviolet-visible diffuse reflection spectrum is 4.21 eV, the ultraviolet cut-off edge is 254 nm, and the infrared transparent range is greater than 8 [mu] m. The crystal has the advantages of simple preparation process, short growth period and avoidance of raw material leakage and pollution. The method has important application in the fields of atmospheric remote sensing and communication, and can be used for manufacturing a frequency down-conversion device for high-power laser output application.

The application provides a compound beta-cesium cadmium silicon sulfur and a beta-cesium cadmium silicon sulfur nonlinear optical crystal and a preparation method and an application, the chemical formula of the compound is beta-Cs2CdSi4S 10 , the molecular weight is 755.04, the chemical formula of the crystal is beta-Cs2CdSi4S 10 , and the molecular weight is 755.04. The crystal belongs to a tetragonal system, the space group is I -4, the cell parameter is a=8.4233(7)Å, c=14.6136(12)Å, and the unit cell volume is 1036.86(19)Å 3 . The crystal is prepared by a vacuum sealing tube method, the frequency doubling effect of the beta-Cs2CdSi4S 10 crystal is about 1.1-1.2 times of that of AgGaS2 (AGS); the band gap of the crystal is 4.21 eV, the ultraviolet cutoff edge is 254 nm, and the infrared transparent range is greater than 8 mu m. The crystal has the advantages of simple preparation process, short growth period, avoidance of raw material leakage and pollution. The crystal has important applications in the fields of atmospheric remote sensing and communication, and can be used for manufacturing frequency down-conversion devices for high-power laser output applications.

The invention relates to a Y-type molecular sieve rich in mesopores and a preparation method thereof. The Y-type molecular sieve has a cell parameter of 24.35-24.55 angstroms, a relative crystallinity of 55% or more, and a mesopore specific surface area of 250-400 m < 2 > / g. The Y-type molecular sieve is provided with mesopores with the pore diameters in the ranges of 3 to 4.5 nm, 5.5 to 11.0 nm and 12.5 to 36 nm. By adopting the method disclosed by the invention, the mesoporous distribution can be effectively adjusted on the premise of ensuring the integrity of the molecular sieve crystal structure and the mesoporous channel structure.

The application discloses application of In2Te5 crystal in preparation of a nonlinear optical device in an infrared wave band. The In2Te5 crystal belongs to a monoclinic system, a Cc space group, has a cell parameter of alpha = gamma = 90 DEG, beta = 91.65 DEG, z = 4, and a unit cell volume of 0.56. The In2Te5 crystal can be used as a nonlinear optical material in preparation of a nonlinear optical device, and its frequency doubling coefficient is about 2-3 times of that of a ZnGeP2 crystal and 15 times of that of an AgGaS2 crystal. The infrared transmission range of the In2Te5 crystal can reach 30 microns. The optical birefringence of the In2Te5 crystal can reach 0.56, so the In2Te5 crystal can be used as a good mid-infrared nonlinear optical material, a mid-infrared photoconductive material and a mid-infrared birefringent material, and can be widely applied in various nonlinear optical fields, especially in the nonlinear optical application in the mid-infrared wave band.

The invention discloses a shaft return sand type identification method, which belongs to the technical field of oil-gas exploration and development, and comprises the following steps: collecting an original fracturing sand sample and a shaft return sand sample which are subjected to sand fracturing, drying the original fracturing sand sample and the shaft return sand sample which are subjected to sand fracturing, and grinding until the granularity is less than 200 meshes; through X-ray fluorescence spectrum analysis, macroscopic element composition analysis of the sample is realized, and through X-ray diffraction analysis, macroscopic component analysis and microscopic crystal structure analysis of the sample are realized. Wherein the crystallinity and unit cell parameter analysis is mainly used for analyzing the whole component structure of the fracturing sand and the shaft return sand, so that the macroscopic component structure analysis of the sample is realized; and finally determining the identification of the sand return type of the shaft.

The invention relates to the technical field of plastic processing, and discloses a micro-foaming injection molding method and device. The method comprises the following steps: collecting process monitoring data corresponding to a plurality of process states in a micro-foaming injection molding process, and extracting a plurality of nucleation driving characteristics from the process monitoring data; based on the nucleation driving characteristics, predicting the cell nucleation density and the cell average size by using a preset cell growth model to obtain a cell prediction result; calculating a comprehensive deviation value between the cell prediction result and a preset target cell parameter, and based on the comprehensive deviation value, utilizing a preset process response strategy to map and calculate the adjustment amplitude of the melt temperature and the injection pressure, and generating a process correction parameter; and on the basis of the process correction parameters, micro-foaming injection molding execution in injection molding equipment is adjusted, and a micro-foaming injection molded product is obtained. Real-time prediction and dynamic regulation and control of the micro-foaming injection molding process are achieved, and the stability of the forming quality and the production efficiency are improved.

The invention relates to a method for characterizing images of cell cultures in order to quantify cell parameters. The steps of the method comprise detecting at least one cell parameter or cell marker parameter in an image of cells in culture; constructing a mosaic of the image (squares or rectangles, also referred to as tiles); defining an image with smaller dimensions (also referred to as a density map) by integrating values of the cell parameters or cell marker parameters in each fraction of the mosaic; applying deep learning algorithms, which are implemented for example by a convolutional neural network, to the images generated in step c in order to determine a proximity score for the images of treated cells with respect to images of healthy cells or untreated diseased cells.

The application provides a icariin-1,2-dipyridyl ethane co-crystal, and relates to the technical field of crystal drug molecules. The co-crystal uses Cu-K alpha radiation, and the X-ray diffraction spectrum expressed by 2theta has characteristic peaks at 5.00+ / -0.2 degrees, 10.09+ / -0.2 degrees, 10.28+ / -0.2 degrees, 12.41+ / -0.2 degrees, 17.14+ / -0.2 degrees, 23.01+ / -0.2 degrees, 24.43+ / -0.2 degrees, 26.88+ / -0.2 degrees, 27.53+ / -0.2 degrees and 27.60+ / -0.2 degrees. The crystallographic measurement parameters are as follows: triclinic crystal system, space group P-1, cell parameters alpha=104.080(2) degrees, beta=92.0920(10) degrees, gamma=90.1980(10) degrees, cell volume V=0.5937(5) nm3, Z=2, Dc=1.406 g / cm3, F(000)=288, mu=0.152 mm-1, Rint=0.038, R=0.038, wR=0.093, S=1.03, and the related preparation method and application are provided. The icariin-1,2-dipyridyl ethane co-crystal of the application has achieved great improvement in stability and bioavailability.

The invention belongs to the technical field of birefringent crystal materials, and particularly relates to a birefringent crystal and a preparation method and application thereof. The chemical formula of the birefringent crystal is Na6 [ZnF2 (B12O24H6)], the birefringent crystal belongs to a trigonal system, the space group is R-3c, and the cell parameters are alpha = 90 degrees, beta = 90 degrees and gamma = 120 degrees. The crystal belongs to an indirect band gap compound, the band gap of the crystal is 4.10 eV, and the crystal has high thermal stability which can reach 380 DEG C. The birefringence of the crystal is delta n = 0.05 at 546 nm, and the crystal is a potential birefringence crystal material.