30 results about "Molecular spectroscopy" patented technology

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 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 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.

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 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 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 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.

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 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.

The application discloses a synchronous and rapid nondestructive detection method for multiple quality indexes of rice, belongs to the technical field of grain and oil quality detection, and adopts a synchronous triggering double-waveband hyperspectral imaging system to synchronously acquire spatial texture information and molecular spectral information of rice; through a multi-target joint constraint CARS-SPA coupling algorithm, the precision attenuation problem caused by overlapping of multiple index characteristic peaks is solved; a spatial-spectral double-branch fusion detection model is constructed; six core indexes, namely, broken rice rate, chalkiness, moisture, protein content, amylose content and fatty acid value, are sequentially inputted and synchronously outputted; and through double closed loop logic of pre-adjustment before feeding and process feedback fine adjustment, quality control of the whole process of rice production is realized.

The invention discloses a molecular terahertz spectrum measurement method and system based on plasmon nano optical tweezers, and belongs to the technical field of molecular spectrum detection and nano manipulation. A local enhanced light field generated by a plasmon nano structure is utilized to capture and fix nanoparticles of a single target molecule or a loaded molecule in an aqueous solution; generating frequency-tunable terahertz waves by adopting a double-laser beat frequency technology, and coupling the terahertz waves to the local light field to excite a captured target; monitoring the optical signal change caused thereby in real time; acquiring a characteristic vibration spectrum of the target molecule by scanning the terahertz frequency; the plasmon nano optical tweezers and the optical beat frequency terahertz technology are combined, so that the terahertz vibration spectrum of the single molecule or nano particle level in the aqueous solution environment is directly measured, and the core problem that the traditional terahertz technology cannot be used for liquid-phase biological detection due to strong absorption of water is solved.

1. The name of the design product: wireless anti-explosion transmission molecular spectrum data device shell. 2. The use of the design product: the shell of the wireless transmission molecular spectrum data device for detecting the medium component information inside the rotating container device under anti-explosion working condition, and the detection accessories are installed inside the shell. 3. The design points of the design product: in shape. 4. The picture or photo that best shows the design points: perspective view 1.

This application provides a method, system, detection device, and related products for inverting semiconductor epitaxial growth parameters, relating to the field of semiconductor detection technology. This application calculates the absorption characteristic parameters of the gas phase components based on current process parameters and a pre-stored gas molecular spectral absorption database, and further obtains the gas phase transmittance of the probe optical path. It then quantitatively compensates for the measured reflectance spectrum during the semiconductor epitaxial growth process, making the compensated target reflectance spectrum closer to the true optical response of the semiconductor epitaxial film. This effectively reduces spectral distortion and systematic errors caused by the superposition of gas phase absorption, significantly improving the accuracy and stability of the inverted growth parameters. Furthermore, the quantitatively compensated values ​​can be adaptively updated according to fluctuations in operating conditions, reducing the inversion deviation introduced by operating condition drift, improving process consistency and comparability, and facilitating more reliable endpoint control and parameter closed-loop optimization.

The invention relates to a wide-spectrum mid-infrared polarization separation device and a preparation method and application thereof.The wide-spectrum mid-infrared polarization separation device comprises a first reflector and at least two second reflectors based on silicon carbide crystals, and the reflecting face of the first reflector is arranged relative to an incident beam and the reflecting face of at least one second reflector; the incident angle of the first reflector relative to the second reflectors is adjustable, the two adjacent second reflectors are arranged at intervals according to a preset Brewster angle, and the incident beam is separated into TE polarized light and TM polarized light. The polarization separation device has the advantages of being simple in structure, convenient to install and capable of achieving efficient and low-loss polarization separation in a wide-spectrum middle-infrared band, and the preparation method has the advantages of being low in production cost, high in yield and suitable for mass production. The polarization separation device overcomes the problems of narrow working bandwidth, lower damage threshold, higher cost and the like of the traditional polarization element, and can be widely applied to the fields of thermal imaging, molecular spectrum, free space communication and the like.

A pulsed solid-state laser with the ability to stabilise the repetition rate (frep.) and carrier- envelope offset frequency (fceo), which can be used, among other things, in molecular spectroscopy, for the construction of optical atomic clocks, for the generation of attosecond pulses, in optical communications, for the construction of laser rangefinders, or in medical diagnostics, comprising a pumping laser (1), a set of lenses shaping the pumping beam (2) located downstream of the pumping laser (1), a laser resonator comprising an input coupler mirror (3a), an gain medium (3b) in the form of a crystal and an output coupler mirror (3c), as well as an electro-optical modulator located between the laser resonator components, characterised in that gain medium (3b) has the form of a crystal that demonstrates an electro-optical effect and which at the same time constitutes an electro-optical modulator for the purposes of stabilising the carrier-envelope offset frequency fceo or the repetition rate frep.

The invention relates to an absolute temperature measuring device and method based on an isotope absorption spectral line, and belongs to the technical field of temperature measurement. The measuring device comprises a light source, a micro air chamber and a light signal receiving piece which are sequentially arranged on a transmission light path, a mixture containing gas A and gas B is hermetically packaged in the miniature gas chamber, and the gas A and the gas B are different isotope gases of the same substance. The light absorption intensity of different isotope gases of the same substance is obtained, absolute temperature measurement is achieved (the absolute temperature is calculated according to the light absorption intensity ratio of the different isotope gases of the same substance), the problem that an existing measuring device cannot achieve absolute measurement in the true sense is solved, and the measurement accuracy is improved. The measurement principle of the invention abandons the traditional electrical temperature measurement principle, realizes absolute temperature measurement of'one-time calibration and lifelong maintenance-free 'directly based on molecular spectroscopy constants, and has the advantages of electromagnetic interference resistance, fast response, good long-term stability and the like.

The invention discloses a method for researching a mechanism of DOX and BENDA jointly acting on DNA molecules based on a single molecule spectrum technology, and belongs to the technical field of analytical chemistry. The method specifically comprises the following steps: raw material preparation and solution preparation, ultraviolet visible spectrum analysis, surface enhanced Raman spectrum detection, molecular docking simulation and agarose gel electrophoresis experiment. Through multi-dimensional integration of a surface enhanced Raman spectrum, an ultraviolet-visible spectrum, agarose gel electrophoresis and a molecular docking technology, a synergistic effect and a competitive relationship when adriamycin and bendamustine jointly act on DNA are systematically disclosed for the first time from a single molecule level, and a molecular mechanism behind the adriamycin and the bendamustine is further clarified; and a new thought and direction are provided for drug development and precise treatment.

The application discloses a kind of laser micro area chemical analysis sampling matrix effect rapid diagnostic device, the device includes laser for generating ablation laser, the dynamic ablation plume morphology formed by laser ablation sample is generated by probe light system The shadow formed by uniform irradiation of probe laser is transiently captured by first camera, then first camera will laser ablation plume macroscopic transient topography be transferred to computer;Ablation laser is focused on sample surface to form dynamically evolving plasma, and plasma spectrum signal is collected by spectrum signal receiver and is detected by spectrometer, and after spectrum data is imported into computer, the micro evolution law of ion, atomic, molecular spectrum signal in plasma at different times can be inverted;Microscopic spectroscopy and macroscopic ablation plume morphology method are combined, and the matrix difference of different samples under the same experimental conditions is diagnosed in real time on line, which is beneficial to select matrix matching standard sample to carry out laser micro area chemical analysis high-precision major and trace element content analysis.

Scientific measurement device health degradation monitoring. Embodiments described herein relate to a process for monitoring a measurement device health degradation condition, such as a mass spectrometer. A system can include a memory storing computer executable components and a processor executing the computer executable components. The computer executable components can include a normalization component normalizing an accuracy of a mass spectrometer based on an expected mass-to-charge ratio corresponding to a selected fragment ion, resulting in a normalized accuracy factor, and a determination component fitting a peak in molecular spectral data generated at the mass spectrometer corresponding to the selected fragment ion to the expected mass-to-charge ratio corresponding to the selected fragment ion based on the normalized accuracy factor.

This invention relates to the field of performance testing technology for oil additives, and particularly to a method for detecting and analyzing the effect of a hybrid gasoline additive. The method includes: conducting benchmark performance tests on the additive-treated gasoline and establishing an initial digital fingerprint; placing the additive-treated gasoline (as the experimental group) and the base gasoline (as the control group) into a multi-field coupled aging device for aging; during the aging process, circulating the oil sample through a microfluidic detection cell connected in series with a quartz crystal microbalance and interdigitated electrodes, and applying ultraviolet pulsed light; acquiring the resonant frequency-dissipation factor spectrum and the interface polarization impedance spectrum, and determining the additive's mechanism of action based on the recovery time constant and decay mode; after aging, acquiring molecular spectra and comparing them with the initial digital fingerprint to obtain spectral deviation; determining the additive's effectiveness based at least on the spectral deviation, selecting an aging model for effective additives according to their mechanism of action, extrapolating the spectral data to calculate the equivalent natural storage life, and outputting the residual protective life.

The invention relates to the fields of biosensing, single-molecule spectrum analysis and artificial intelligence, in particular to a single-molecule Raman fingerprint analysis system and application thereof in multi-component protein detection. The core of the method is to construct an interface coupling plasma nanocavity which can limit and isolate a single protein molecule so as to obtain an intrinsic Raman fingerprint without spectral overlapping; the invention further provides a single-molecule digital decoding method for the multi-component protein mixture, the general classification accuracy of seven common representative proteins reaches up to 99.3%, and the system is used for carrying out automatic identification and digital decoding on single-molecule Raman spectrum data collected in a complex mixture in a high-throughput mode. Directly obtaining a quantitative addressable protein identity decoding map at the single molecule level; the invention provides a powerful data-driven analysis tool for quantitative single-molecule proteomics analysis, early disease diagnosis and protein function mechanism research.

This paper presents an infrared orbital angular momentum pattern recognition method based on nonlinear optics and a corner lens, belonging to the field of optical technology. A corner lens images a potassium titanate oxyphosphate (KTP) crystal, and infrared vortex light carrying the orbital angular momentum to be identified is incident on the KTP crystal. Simultaneously, second harmonics are generated, and the corner lens focuses different orbital angular momentum patterns to different angular positions. In other words, nonlinear optics and a corner lens are used to convert infrared vortices carrying different orbital angular momentum into visible light focused at different azimuth coordinates. Experiments demonstrate the feasibility of this infrared orbital angular momentum pattern recognition method, showcasing its novel technology and simple, compact device. By converting the infrared light to be detected into visible light through nonlinear frequency upconversion before CCD detection, the drawbacks of low efficiency and high cost associated with infrared light detection are avoided. This method holds promise for applications in specialized molecular spectroscopy, biological imaging, and infrared monitoring.

Embodiments described herein relate to a process for monitoring health degradation of a measurement device, such as a spectrometry device. A system can comprise a memory that stores, and a processor that executes, computer executable components. The computer executable components can comprise a normalizing component that normalizes an accuracy of a spectrometry device based on an expected mass-to-charge ratio corresponding to a selected fragment ion, resulting in a normalized accuracy factor, and a determining component that, based on the normalized accuracy factor, fits a peak, corresponding to the selected fragment ion, of molecular spectral data generated at the spectrometry device to the expected mass-to-charge ratio corresponding to the selected fragment ion.