56 results about "Molecular spectroscopy" patented technology

The invention discloses a dynamic identification method for abnormal water quality. The method comprises the following steps: collecting multi-modal molecular spectrum data; performing multi-scale feature extraction on the multi-modal molecular spectrum data, and fusing the extracted multi-scale features to obtain comprehensive features; constructing a time sequence data matrix of different time windows for each modal data in the multi-modal molecular spectrum data, and calculating the distance of the time sequence data matrix corresponding to each modal data in different periods; according to the distance of the time sequence data matrix corresponding to each modal data in different periods, calculating an abnormal index matrix corresponding to the multi-modal molecular spectrum data; based on the comprehensive characteristics and the abnormal index matrix, performing water quality abnormal dynamic identification by adopting a self-adaptive adjustment threshold value; according to the method, improvement schemes such as multi-data source fusion, dynamic time sequence anomaly detection and self-adaptive statistical threshold setting are provided, so that the comprehensiveness, accuracy and robustness of water quality monitoring are improved, and the complex and changeable water quality problem can be better solved.

The invention provides a high-power wide-spectrum long-wave infrared femtosecond laser generation method, and relates to the technical field of infrared ultrafast laser. According to the method, the 1.5 [mu] m pumping BGSe crystal is adopted, compared with a traditional 1 [mu] m pumping BGSe crystal, the heat accumulation effect is greatly reduced, and the operation stability of the system is remarkably improved in combination with a water-cooling heat dissipation device. Through crystal cutting angle optimization and phase matching design, 10-16 [mu] m wide-spectrum long-wave infrared femtosecond laser output is achieved, the power reaches 100 mW, and the application requirements in the fields of molecular spectrum recognition, environment monitoring and the like are met.

The invention discloses a pressurized oxygen supply mask breathing gas multi-component synchronous monitoring device and method.The device comprises a mask cavity inner unit, and the mask cavity inner unit comprises a photoelectric detection system; the photoelectric detection system comprises an O2 laser and an O2 detector which are used for O2 molecular spectrum detection, a CO2 and H2O laser and a CO2 and H2O detector which are used for simultaneously detecting CO2 and H2O molecular spectrums, a dichroic mirror I and a dichroic mirror II which are used for coupling and separating two paths of laser beams, and a temperature, pressure and relative humidity integrated sensor which is arranged in a breathing gas to-be-detected area; the mask cavity external unit comprises an electronics system, and the electronics system comprises a data acquisition module, a laser control module and a system control and data processing analysis module. The device has the advantages of short response time, intrinsic safety and high stability and reliability, the overall structure is more compact, and the device has high general practicability in practical application.

The invention discloses a comprehensive evaluation method for health conditions of silk fabric cultural relics, and relates to the technical field of silk fabric cultural relic management, and the method comprises the following steps: laying high-density spectral response scanning points on the surfaces of the silk fabric cultural relics, and calculating and recognizing fiber aging distribution differences based on hyper-spectral local entropy differences of the high-density spectral response scanning points; according to the method, through high-density spectrum scanning and multi-level modeling, in combination with time sequence spectrum analysis and sampling anchor point setting, accurate representativeness evaluation of the fiber aging state is achieved, the existing sampling limitation is overcome, and the sampling efficiency is improved. And the accuracy and the comprehensiveness are obviously improved. Meanwhile, a coupling model is constructed through structured light imaging and molecular spectrum bidirectional mapping, a dynamic updating framework is formed in combination with a time sequence aging index and residual error write-back correction, conversion from static detection to dynamic prediction is achieved, and long-term tracking and prospective decision-making capabilities are achieved.

The invention belongs to the field of quality control of traditional Chinese medicinal materials, and particularly relates to a genuine medicinal material producing area distinguishing method based on multi-mode molecular spectrum characteristic recombination. Accurate identification of the producing area of the traditional Chinese medicine decoction pieces / powder is achieved by collecting the near infrared spectrum, the middle infrared spectrum and the terahertz spectrum of the sample, meanwhile, the recombination characteristic spectrum of the traditional Chinese medicine decoction pieces / powder in the near infrared spectrum, the middle infrared spectrum and the terahertz wave band can be visually displayed, and the method has the advantages of being higher in identification pertinence, higher in accuracy and wider in application range.

An apparatus for capturing biometric data from a human or other animal. At least part of the apparatus includes an ear portion configured to be receivable in an ear of the human or other animal. The ear portion includes a molecular spectroscopy device including at least part of an emitter and associated detector configured to capture biometric data relating to the molecular constituents of: blood passing through the ear of the human or other animal; and / or ear tissue of the human or other animal.

The invention relates to the technical field of infrared spectrum detection, in particular to a pulverized coal analysis on-line monitoring system and method based on molecular spectrum.The pulverized coal analysis on-line monitoring system comprises a monitoring mechanism, the monitoring mechanism comprises a near-infrared spectrum analyzer body, a base, a rotating component and a supporting component, the base is fixedly connected to the top of the near-infrared spectrum analyzer body, and the rotating component is fixedly connected to the bottom of the near-infrared spectrum analyzer body; the interior of the base is communicated with the output end of the near infrared spectrum analyzer body, and the rotating component and the supporting component are arranged on the base. During use and pulverized coal monitoring, a proper amount of pulverized coal is placed in the center of the bottom of the quartz glass cup, then the quartz glass cup is inserted into the base, the bottom of the quartz glass cup cannot be attached to the input end of the near-infrared spectrum analyzer body under the support of the supporting strips and the supporting wheels, and the near-infrared spectrum analyzer body can be monitored by rotating the movable worm at the moment. The movable worm is matched with the movable worm gear to drive the threaded pipe to rotate, and the rotating threaded pipe can horizontally move to adjust the use position of the push rod.

The invention relates to the technical field of molecular generation, and discloses a reverse design method using a molecular spectrum as a medium to be applied to virus protein drug molecules, which comprises the following steps: firstly, constructing a data set containing a molecular SMILES identifier and a corresponding molecular spectrum, and carrying out drug-likeness and false positive preliminary screening on compounds by adopting Lipinski five rules and a PAINS mode; then training a conditional diffusion model, and generating a target molecular spectrum by taking specific drug properties as conditions; the spectrum is mapped into a molecular SMILES structure through a Transform decoder, so that accurate conversion from the spectrum to the molecule is realized; finally, through conformation optimization and stability verification, candidate drug molecules meeting specific treatment requirements are output. The method effectively avoids the invalid structure problem caused by cross-dimension generation, significantly improves the synthesizability and patent medicine potential of generated molecules, and is suitable for efficient molecular design of antiviral drugs, inhibitors and the like.

A training method for a spectral feature recognition model of a single molecule and a spectral feature recognition method, wherein the training method comprises: using a simulated data set to train the spectral feature recognition model to obtain a preliminarily trained spectral feature recognition model, the simulated data set comprising a plurality of simulated spectral information sample images and corresponding spectral centroid labels; obtaining a real data set, the real data set comprising a plurality of real spectral information sample images and corresponding spectral centroid pseudo labels; using the simulated data set as source domain data and the real data set as target domain data, performing domain adaptation training on the preliminarily trained spectral feature recognition model to obtain a trained spectral feature recognition model. The present invention performs spectral feature recognition of a single molecule based on a machine learning model, and the spectral feature recognition model obtained by training using the training method of the present application is used to perform spectral feature recognition of a single molecule, which can effectively improve recognition accuracy.

This invention discloses an isotope abundance detection method and system based on the centroid method of emission spectroscopy, belonging to the fields of analytical chemistry and spectroscopic analysis technology. This method measures the centroid position of the atomic spectral lines or molecular spectral bands of the target element, utilizing the quantitative relationship between the centroid position and isotope abundance to achieve rapid, accurate, and low-cost detection of isotope abundance. This invention is the first to systematically establish a complete theoretical framework for the use of the centroid method of emission spectroscopy for isotope abundance detection, revealing the strict linearity conditions between the centroid and abundance, as well as the sources of error. This method is applicable to various excitation sources such as microwave plasma, inductively coupled plasma, and laser-induced breakdown plasma, covering both atomic and molecular spectroscopy detection modes, significantly reducing the resolution requirements of the spectrometer and exhibiting good noise interference resistance. This invention can be widely applied in fields such as nuclear engineering, semiconductor industry, environmental science, geochemistry, and medicine.

This disclosure relates to the fields of food and traditional Chinese medicine quality testing, molecular spectroscopy analysis, and intelligent detection technology. In particular, it relates to a method and system for quality testing of donkey-hide gelatin (Ejiao) products based on multispectral manifold feature mapping and attention-enhanced convolutional networks. This method addresses the limitations of existing Ejiao products, such as the bottleneck in accuracy for distinguishing subtle differences between genuine and counterfeit products or those of different origins, the lack of ability to screen for abnormal samples like color anomalies and atypical adulteration caused by process deviations, and the difficulty in balancing detection efficiency and accuracy. This solution uses near-infrared spectral data and feature mapping deep learning to classify and distinguish the quality of Ejiao products, significantly shortening the testing cycle and making it suitable for batch release and process monitoring.

The present invention relates to the field of infrared spectrum detection technology, and in particular to an online monitoring system and method for coal powder analysis based on molecular spectroscopy, comprising: a monitoring mechanism, the monitoring mechanism comprising a near-infrared spectrometer body, a base, a rotating component and a supporting component, the base is fixedly connected to the top of the near-infrared spectrometer body, the inside of the base is connected to the output end of the near-infrared spectrometer body, and the rotating component and the supporting component are both arranged on the base. In the present invention, when using, when monitoring coal powder, put an appropriate amount of coal powder into the center of the bottom of a quartz glass cup, and then insert the quartz glass cup into the base, and under the support of the support bar and the support wheel, the bottom of the quartz glass cup can not fit with the input end of the near-infrared spectrometer body, at this time, by rotating the moving worm, the moving worm cooperates with the moving worm wheel to drive the threaded tube to rotate, so that the rotating threaded tube can move horizontally to adjust the use position of the push rod.

The application discloses a kind of multi-wavelength pumped mid-infrared upconversion spectral detection methods, its characteristics are that the method uses multi-wavelength narrowband laser as the pump source of nonlinear conversion, simultaneously adopt multi-period quasi-phase matching crystal as nonlinear upconversion medium, realize mid-infrared signal broadband and efficient conversion, and combine high-performance near-infrared spectral measurement and control element, finally obtain wide band, high resolution, ultra-sensitive mid-infrared spectral detection.The application has the characteristics of large bandwidth and high efficiency compared with existing upconversion spectral technology, simultaneously can high fidelity resolution mid-infrared spectral information, for realizing wide band, high resolution, ultra-sensitive mid-infrared spectral measurement provides effective means, is expected to be applied to molecular spectroscopy, trace substance detection, infrared remote sensing and atmospheric monitoring and other important fields.

The invention discloses a garbage room comprehensive management method and system. The method comprises the following steps: establishing a recyclable molecular spectrum knowledge base; collecting image information of the garbage; calling interface identification; classifying for the first time; packaging the non-resourceful wastes; collecting near infrared spectrum data of the recyclable wastes; screening key characteristic wavelength points; similarity calculation is conducted, recyclable molecules of the recyclable waste are obtained, and mixed spectrum similarity measurement is adopted for similarity calculation; and performing secondary classification. The system comprises an information acquisition module, an intelligent robot classification and packaging module, a data module and a central control module. According to the method, the garbage is automatically identified, and the recyclable wastes in the garbage are divided out for independent treatment, so that the utilization rate of the wastes is increased; and meanwhile, a recyclable molecular spectrum knowledge base is established, the characteristic spectrum of the recyclable waste and the recyclable molecular spectrum are subjected to mixing similarity calculation, the classification of the recyclable waste is judged, and the subsequent recycling efficiency is improved.

An assembly for storing and analyzing samples over time that includes a rotating and removable loader. Housing containers are for storing and analyzing the samples. A suction assembly is for taking samples that is equipped with a primary sensor. A lift is for lifting the suction assembly; a multispectral analysis unit. An injector injects the samples taken. A positioner positions a secondary sensor responsible for characterizing the stored samples. The equipment allows the samples to not just be taken and characterized automatically at the time they are taken, but also provides the option of characterizing the sample over time, which results in a broadening of the parameters to be determined, such as the size and mass concentration of the sedimentable and non-sedimentable particles present in the sample.

The invention discloses a molecular spectrum scanning device and method based on cavity enhancement. The molecular spectrum scanning device comprises a stepping motor, a laser, a cavity enhancement spectrum system, a PDH locking system, an optical frequency comb, a wavelength meter, a spectrum data acquisition card, an industrial personal computer and a voltage amplifier. Through the PDH locking technology, the scanning laser frequency tracks the resonance mode of the optical resonant cavity in real time, the lock losing problem in the scanning process is solved, and high stability is ensured; meanwhile, an optical frequency comb is used as a frequency scale, and real-time and accurate absolute frequency measurement is carried out on the scanning laser through a wavemeter; active frequency locking and absolute frequency calibration technologies are organically combined, high-sensitivity, high-frequency-precision and high-stability cavity enhanced molecular absorption spectrum measurement is achieved, and the method is particularly suitable for the fields of trace gas detection, precision spectroscopy, atmospheric environment monitoring and the like.

The invention provides a coal quality online detection system and method based on multi-modal spectroscopy information, and the system comprises a TRLIBS module which is used for collecting a time-resolved laser-induced breakdown spectrum; the near infrared spectrum module is used for collecting a near infrared diffuse reflection spectrum of the coal sample; the sound spectrum acquisition module is used for acquiring a sound wave signal generated by the laser-induced plasma; the time sequence control module is used for synchronously controlling the acquisition time sequence of the TRLIBS module, the near infrared spectrum module and the sound spectrum acquisition module; and the data fusion processing module is used for carrying out feature extraction and fusion calculation on the received time-resolved laser-induced breakdown spectrum, near-infrared diffuse reflection spectrum and sound wave signals, and outputting coal quality indexes. Aiming at the problem of spectrum fluctuation caused by insufficient detection accuracy of a single spectrum technology and coal flow surface fluctuation in coal quality detection, the method provided by the invention improves the coal quality detection accuracy by integrating atomic spectroscopy, molecular spectroscopy and sound spectrum information and combining a synchronous time sequence control and intelligent fusion method.

The present invention belongs to the technical field of related calculations of molecular spectral radiation, and discloses a method, system and device for measuring the ultraviolet spectral radiation characteristics of OH in non-equilibrium flow. A simulation software is used to simulate the distributions of the temperature, pressure and component concentration of the gas flow field of a high-speed aircraft flying at high altitude; according to the flow field distribution, the flow field is stratified along the determined line-of-sight direction to obtain the temperature, pressure and concentration distributions of each layer; the chemical reaction rate in the OH collisional-radiative model is calculated; the flow field parameters are brought into the collisional-radiative model, and programming is used to calculate the number density of different vibrational energy levels of OH(A); according to the apparent integration method, programming is used to calculate the spectral radiance of OH in the tail flame or shock layer. The present invention takes into account the influence of the refined energy level structure of the OH molecule on the chemical reaction rate in the collisional-radiative model, thereby greatly improving the accuracy of related calculations and more accurately giving the calculation results of the OH spectral radiation characteristics in non-equilibrium flow.

The invention discloses a chlorine-containing volatile organic compound waste gas recycling treatment process, and relates to the technical field of organic compound waste gas recycling, and the chlorine-containing volatile organic compound waste gas recycling treatment process comprises the following steps: (1) waste gas pretreatment; an on-line Raman spectrum sensor is installed at a pretreatment inlet, molecular spectrum signals of impurities in waste gas are collected in real time, the types and concentrations of the impurities are recognized through a spectrum feature library, and then three sets of switchable interception units are arranged in a pretreatment system. According to the chlorine-containing volatile organic compound waste gas recycling treatment process, in the waste gas pretreatment process, the types and the concentrations of impurities in waste gas are detected and recognized, targeted pretreatment can be conveniently carried out by using corresponding units, in the subsequent intelligent waste gas filtering process, three recycling paths are built in, the corresponding recycling paths are intelligently switched, and the recycling efficiency of the waste gas is improved. The method not only can improve the recovery rate and reduce energy consumption, but also can reduce by-products to the maximum extent, and is suitable for waste gas with complex components and large concentration fluctuation.

Provided is an atomic vapor cell, for atomic or molecular spectroscopy, optical pumping, and / or spin-based atomic sensing, that includes a host substrate and defined there within a buried or non-buried chamber laser written in the host substrate without the need of a mask or photoresist, with either planar or three-dimensional geometry, and intended to contain an atomic vapor.Also provided are an integrated atomic / photonic device and an apparatus, in both cases including the presently disclosed atomic vapor cell, and a method for fabricating the presently disclosed atomic vapor cell.

The invention provides a method and device for calibrating atomic and molecular spectral frequencies, and relates to the technical field of quantum precision measurement, and the method comprises the steps: obtaining a free spectral path of an ultra-stable optical reference cavity; synchronously acquiring an atomic molecule spectral signal and a transmission signal of the ultra-stable optical reference cavity; wherein the atomic molecule spectral signal and the transmission signal are respectively generated by laser output by the same single-frequency laser after beam splitting; and performing frequency calibration on the atomic molecular spectral signal based on the free spectral path. The method has the advantages of high precision, high stability, relatively simple system and controllable cost.

The invention relates to a hydrogen detection method based on a molecular spectrum collision broadening effect, which comprises the following steps: acquiring an absorption spectrum of at least one specific gas in to-be-detected air, and acquiring the temperature and gas pressure of the to-be-detected air when the absorption spectrum is acquired; aiming at the specific gas, measuring the collision broadening of the absorption spectrum of the specific gas; acquiring influence data of hydrogen on the collision broadening from the collision broadening, and calculating the volume concentration of the hydrogen in the air to be measured by combining the broadening coefficient of the hydrogen on the specific gas. According to the detection method, the defects that hydrogen has no infrared activity and cannot be rapidly and accurately measured in situ through a tunable diode laser absorption spectrum (TDLAS) technology are overcome. Therefore, online measurement of the hydrogen concentration is realized, and the device has the advantages of calibration-free measurement result, high response speed, high precision, low cost and the like.

Disclosed is an apparatus for generating and transporting spectral line radiation which may transmit radiation generated from a radiation source accurately to a target. The apparatus includes a radiation source configured to emit atomic, ionic or molecular spectral line radiation, a transmission nozzle configured to transmit the spectral line radiation emitted by the radiation source to the target, and a gas supply channel configured to supply gas in the same environment as the spectral line radiation emitted by the radiation source to an environment around the target.

The invention relates to the technical field of chemometrics and molecular spectrum analysis, in particular to a tobacco leaf location detection and identification method, which comprises the following steps: collecting a batch of raw tobacco samples to be processed, averagely dividing the raw tobacco samples into three locations, namely a leaf tip location, a leaf middle location and a leaf base location, respectively scanning a sample spectrum of each location, pre-treating the sample spectrums, and determining the location of the tobacco leaf according to the pre-treated sample spectrums; the three location spectrums are divided into three classification models in combination with a genetic algorithm and a fuzzy K-means algorithm, sample spectrums at all the air separation openings are collected and projected into the classification models for prediction, the threshing deviation location of each air separation opening is judged, follow-up threshing air separation can be finely controlled, and the tobacco redrying quality is improved.

The application discloses a molecular structure inference method, an electronic device and a computer readable storage medium, and relates to the technical field of molecular spectroscopy. The method comprises the following steps: determining a multispectral data set comprising multispectral data of at least one training molecule, wherein the multispectral data comprises data of infrared spectroscopy, ultraviolet spectroscopy, nuclear magnetic resonance spectroscopy and mass spectrometry; inputting the multispectral data into a molecular structure inference model for model training, wherein the molecular structure inference model is a deep neural network model, comprising an encoder for feature extraction and feature fusion of the multispectral data, and a decoder for joint decoding according to preset mass spectrometry information and the output of the encoder; performing cross-entropy loss function calculation according to a real molecular structure and a predicted molecular structure, so as to update the molecular structure inference model; and performing molecular structure inference on a to-be-tested molecule according to the trained molecular structure inference model. The application realizes fast and accurate prediction of the molecular structure of a molecule.

The present invention relates to equipment comprising an assembly for storing and analysing samples over time that comprises a rotating and removable loader (11) housing containers (12) for storing and analysing the samples; a suction assembly (26) for taking samples that is equipped with a primary sensor (31); lifting means (34) for lifting the suction assembly (26); a multispectral analysis unit (18); means for injecting the samples taken; and positioning means for positioning a secondary sensor (44) responsible for characterising the stored samples. The equipment allows the samples to not just be taken and characterised automatically at the time they are taken, but also provides the option of characterising the sample over time, which results in a broadening of the parameters to be determined, such as the size and mass concentration of the sedimentable and non-sedimentable particles present in the sample.

The invention provides a preparation method of a molecular spectrum substrate with collimation and quantitative near-field enhancement functions and the molecular spectrum substrate with the collimation and quantitative near-field enhancement functions. According to the preparation method of the molecular spectrum substrate with the collimation and quantitative near field enhancement functions, the quantitative corresponding relation between the arrangement mode and the local electric field intensity can be achieved through analytical calculation in the design stage, and therefore the enhancement multiple can be predicted and adjusted. Due to the collimation of the molecular spectrum substrate, enhanced signals have clear spatial directivity, the molecular spectrum substrate can be used for angle resolution spectrum detection, and molecular systems which can generate response only under the incident condition in a specific direction (such as perpendicular to the surface) can be effectively excited. As the light field is limited to propagate in a single collimation direction, the obtained signal has high purity and is not mixed with backgrounds or scattering components from other angles, so that the direction selectivity and the result reliability of molecular spectrum measurement are remarkably improved.

The invention relates to the technical field of instrument analysis, in particular to a molecular spectrum in-situ pool for gas-liquid-solid three phases, which comprises a dome, a heating disc and a shell, the heating disc is provided with a reaction cavity, and a stainless steel mesh is mounted in the reaction cavity; an air chamber is formed between the dome and the reaction cavity, and a through air inlet channel is formed in the middle of the dome and communicated with the air chamber; the lower part of the heating disc is provided with an outlet channel and a liquid inlet channel, the outlet channel is communicated with the reaction cavity, one end of the liquid inlet channel is a liquid inlet, and the other end is connected with a liquid phase pump through a pipeline; the liquid inlet is located beside the stainless steel mesh, and after entering the stainless steel mesh, liquid reactants fully cover the whole stainless steel mesh and the solid catalyst on the stainless steel mesh under the action of surface tension. The device is specially adapted to a gas-liquid-solid three-phase catalytic system, the internal dead volume is small, and the average residence time of gas and liquid reactants is short, so that the in-situ spectrum research of the three-phase reaction has higher time resolution, and the rapid structural change of the catalyst in the reaction process can be captured.

A stackable molecular spectroscopy cell includes a hollow body, a first cap affixed to a first surface of the hollow body, covering a first opening in the hollow body, and a second cap affixed to a second surface of the hollow body, covering a second opening in the hollow body, and forming a sealed cavity within the hollow body. The sealed cavity contains a dipolar gas having a pressure of less than 0.5 mbar. The stackable molecular spectroscopy cell also includes a metal layer covering an inner surface of the hollow body and an inner surface of the first and second caps, including a first aperture in the metal layer covering the inner surface of the first cap and a second aperture in the metal layer covering the inner surface of the second cap.

The invention belongs to the technical field of scientific instruments and heterogeneous catalytic characterization, and discloses a membrane catalysis in-situ reaction tank based on combination of an X-ray absorption spectrum and a multi-mode spectrum, comprising: a housing provided with a mounting cavity; the reaction platform is arranged on the mounting cavity of the shell; the cover body assembly is arranged on the reaction platform, so that a reaction cavity is formed between the cover body assembly and the reaction platform, and a sample reacts in the reaction cavity; the cover body assembly is provided with a window used for installing optical window sheets, an acute included angle is formed between the central axis of the window and a base plane provided by the reaction platform, and the optical window sheets comprise a first group of window sheets suitable for X-rays and a second group of window sheets suitable for molecular spectrums; the fluid transmission unit comprises a gas inlet pipe for inputting gas reactants into the reaction cavity and a gas outlet pipe for discharging gas in the reaction cavity, the gas inlet pipe is mounted on the cover body assembly, and the gas outlet pipe is mounted on the reaction platform.