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35 results about "Proton NMR" patented technology

Proton nuclear magnetic resonance (proton NMR, hydrogen-1 NMR, or ¹H NMR) is the application of nuclear magnetic resonance in NMR spectroscopy with respect to hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of its molecules. In samples where natural hydrogen (H) is used, practically all the hydrogen consists of the isotope H (hydrogen-1; i.e. having a proton for a nucleus).

Nuclear magnetic resonance hydrogen spectrum method for directly analyzing high molecular weight hyaluronic acid structure and quantitative monomer composition

The invention discloses a nuclear magnetic resonance hydrogen spectrum method for directly analyzing a high molecular weight hyaluronic acid structure and quantitative monomer composition. The method comprises the following steps: S1, dissolving a high-molecular-weight hyaluronic acid sample in D2O, adding NaOD, and uniformly mixing to obtain a sample solution; the concentration of the hyaluronic acid sample in the D2O is 0.5 to 2 mg / mL; the final concentration of the NaOD in the sample solution is 75 mmol / L; s2, performing a nuclear magnetic resonance hydrogen spectrum test on the sample solution to obtain a nuclear magnetic resonance hydrogen spectrum spectrogram; and S3, obtaining an integral area proportion of a hydrogen atom characteristic peak from the nuclear magnetic resonance hydrogen spectrum so as to directly quantify the composition molar ratio of the two monomers of the high-molecular-weight hyaluronic acid. The method provided by the invention not only can realize direct structural characterization of the high molecular weight HA, but also can realize direct quantification of the composition proportion of the two monosaccharides, and the quantitative result is high in precision and reproducibility.
Owner:TSINGHUA UNIVERSITY

Rapid detection method of paraffin in beeswax

The application discloses a rapid detection method of paraffin in beeswax. The detection method comprises the following steps: dissolving the to-be-detected beeswax sample by using a deuterium solvent to perform nuclear magnetic resonance hydrogen spectrum test, and qualitatively and quantitatively analyzing the paraffin in the beeswax according to the nuclear magnetic resonance hydrogen spectrum result. Two conditions need to be met simultaneously when using the nuclear magnetic hydrogen spectrum to judge whether the paraffin is doped in the beeswax: (1) an ester characteristic proton peak appears near the chemical shift of 4.07 ppm; and (2) the relative integral intensity of the alkyl proton peak in the chemical shift range of 0.9-1.58 ppm is obviously enhanced compared with a standard spectrum. The detection method is simple and rapid, has good linear relationship, high accuracy and good repeatability.
Owner:TECH CENT OF GUANGZHOU CUSTOMS

Structure of carboplatin and 1, 1-cyclobutane dicarboxylic acid eutectic compound in water and proving method

The invention provides a compound of carboplatin and 1, 1-cyclobutane dicarboxylic acid and a detection method of the compound. A nuclear magnetic resonance hydrogen spectrum and a nuclear magnetic resonance carbon spectrum of the carboplatin and 1, 1-cyclobutane dicarboxylic acid eutectic compound in a D-(+)-glucose heavy water solution with the mass fraction of 5%, a nuclear magnetic resonance hydrogen spectrum and a nuclear magnetic resonance carbon spectrum of carboplatin in a 1.2. 3. 4-cyclobutane tetracarboxylic acid heavy water solution with the mass fraction of 2%, and a 1, 1-cyclobutane dicarboxylic acid eutectic compound with the mass fraction of 1, 1-cyclobutane dicarboxylic acid are measured. A nuclear magnetic resonance hydrogen spectrum and a nuclear magnetic resonance carbon spectrum of carboplatin and 1, 1-cyclobutane dicarboxylic acid in a D-(+)-glucose heavy water solution with the mass fraction of 5% are analyzed, and the structure of the carboplatin and 1, 1-cyclobutane dicarboxylic acid eutectic compound in water is determined by analyzing the chemical shift change of characteristic carbon atoms in the nuclear magnetic resonance carbon spectrum.
Owner:BEIJING KUBAIXIN TECHNOLOGY CO LTD

Camptothecin chemiluminescent prodrug activated by nitroreductase

The invention relates to synthesis and anti-tumor application of a nitroreductase activated camptothecin chemiluminescent prodrug. The prodrug molecule (CPT-NBz-CL) integrates three key functional units through a 2, 6-hydroxymethyl p-cresol derived self-burning group: (i) a nitrobenzene group (NBz) as a nitroreductase (NTR) specific trigger; (ii) a potent chemotherapeutic drug camptothecin (CPT) as a cytotoxic load; (iii) a Schaap type phenolic group-dioxetane structure is used as a chemiluminescence reporter group (CL), and the structure is shown as a formula (I). In order to carry out comparative research, a control molecule CL-NBz-CL which lacks a CPT load but retains a trigger and a reporter group is synchronously synthesized. The structures and optical properties of the two molecules are comprehensively characterized through analysis means such as nuclear magnetic resonance hydrogen spectrum, carbon spectrum, absorption spectrum, fluorescence spectrum and luminescent spectrum, and the molecules can verify that the molecules have specific detection capability on NTR through chemiluminescence, fluorescence spectrum, selectivity and the like in vitro.
Owner:ZUNYI MEDICAL UNIVERSITY

A Deep Learning-Based Virtual Decoupling Method for One-Dimensional Proton NMR Spectra

This invention provides a deep learning-based virtual decoupling method for one-dimensional proton NMR spectra. The method mainly involves using a deep learning model to virtually decouple one-dimensional proton NMR spectra. First, training samples are generated for the deep learning model. Second, the structure of the deep learning model is designed. Then, the deep learning model is trained using the training samples to obtain a trained model. Finally, the trained deep learning model is used to virtually decouple the one-dimensional proton NMR spectrum. The main advantage of this invention is that it eliminates the need to design pulse sequences; one-dimensional proton spectrum decoupling can be achieved solely through a deep learning model.
Owner:XIAMEN UNIV

Process for preparing particles of sulfide solid material comprising li, p, s and x elements

PCT designated stageWO2025262066A1Cell electrodesSecondary cellsSulfidationSulfide
The present disclosure relates to a process for preparing particles of a sulfide solid material (M) comprising at least Li, P, S and X elements, comprising the step of providing a powder of lithium sulfide (Li2S) comprising less than 0.2 wt % of residual LiOH as measured by solid state proton NMR and having a solid state proton NMR spectrum showing a peak signal at -2.0 ± 0.2 ppm that corresponds to less than 0.005 wt % of equivalent LiOH. It also relates to particles obtained by said process and their use for the preparation of an electrode, of an electrolyte layer of an electrode or of a separator.
Owner:SPECIALTY OPERATIONS FRANCE

Polymers of the [2+2] photocycloaddition reaction

The application relates to the structural composition of a [2+2] photocycloaddition polymer and a preparation method thereof, and relates to the technical field of functional materials. The polymer introduces a closed dodecaborane anion, two polymers are prepared by the application, and the two polymers can both undergo [2+2] cycloaddition under the irradiation of ultraviolet light. The [2+2] cycloaddition of the polymer is verified by nuclear magnetic resonance hydrogen spectrum, single crystal X-ray diffraction spectrum, powder single crystal X-diffraction spectrum, infrared spectrum and the like. The application shows the great potential of a supramolecular organic framework material based on B 12 H 12 2‑ in the field of topological chemistry, and lays a solid foundation for the in-depth research in the field in the future.
Owner:WUHAN UNIV OF SCI & TECH

Method of quantifying saponin present in particles comprising saponin and lipid

A method of quantifying a saponin present in a particle comprising a saponin and a lipid is disclosed. The method comprises the steps of: (1) separating saponins from lipids of particles by reverse phase solid phase extraction of the saponins from a predetermined amount of particles; (2) freeze-drying the separated saponin; (3) preparing a solution of freeze-dried saponin and a predetermined amount of internal standard compound in deuterated methanol; (4) generating a quantitative proton NMR spectrum of the solution comprising a signal of three protons of the C26 methyl group of the triterpenoid core of the saponin and a signal of one or more protons of an internal standard compound; and (5) comparing the signal of the three protons of the C26 methyl group of the triterpene core to the signal of the one or more protons of the internal standard compound.
Owner:NOVAVAX INC

Binder material and methods thereof

Disclosed herein is a binder material including (1) a copolymer of styrene and (meth)acrylate and (2) one or more surfactants. In some aspects, a supernatant is obtained from a sample of an emulsion of the binder material, and a supernatant extract is obtained by filtering and drying the supernatant. Estimated masses of CH2CH2O— (PEG) units and C6H5-(aromatic) units in the supernatant extract are quantified by proton nuclear magnetic resonance (1H NMR) measurements. In some embodiments, a mass ratio of the CH2CH2O— (PEG) units to the C6H5— (aromatic) units is about 6.0 or less and about 0.1 or greater. Also disclosed are battery electrodes and lithium-ion batteries that employ such binder materials. Related methods of making binder materials, battery electrodes, and lithium-ion batteries are also disclosed.
Owner:SILA NANOTECHNOLOGIES INC

Method for detecting deuteration rate of deuterium-depleted water

The invention belongs to the technical field of deuteration rate detection, and particularly relates to a low-deuteration water deuteration rate detection method, which comprises: 1) preparing a heavy water standard sample with a known deuteration rate, carrying out a nuclear magnetic hydrogen spectrum test, and recording the water peak area; (2) estimating the deuteration rate of the deuterium-depleted water sample to be detected, then mixing a proper amount of the deuterium-depleted water sample with a proper amount of the heavy water standard sample, and preparing a mixed heavy water sample with the estimated deuteration rate of 98% or above; (3) carrying out nuclear magnetic hydrogen spectrum test on the mixed heavy water sample, recording the water peak area, and calculating the deuteration rate by using the water peak area according to an external standard method; and (4) calculating the deuteration rate of the deuterium-depleted water sample. The detection method overcomes the defect that a nuclear magnetic resonance hydrogen spectrum method cannot accurately measure the deuterium-depleted heavy water (deuteration rate lt; the deuterium content in a high range (more than or equal to 98%) is difficult to detect, the limitation that an external standard method can only detect the isotope abundance (more than or equal to 98%) of deuterium in a relatively high range is broken through, and meanwhile, the method is high in analysis precision and accuracy, low in equipment investment, simple and convenient to operate and low in analysis cost.
Owner:PERRY TECH CO LTD

Method for detecting content of vinyl alcohol groups in water-based adhesive for cigarettes

The invention provides a method for detecting the content of vinyl alcohol groups in a water-based adhesive for cigarettes. The method comprises the following steps: mixing a to-be-detected water-based adhesive sample for cigarettes, a solvent and an internal standard substance to prepare a to-be-detected solution; detecting a nuclear magnetic resonance hydrogen spectrum of the to-be-detected solution, and obtaining an integral area of a methylene hydrogen characteristic peak in the to-be-detected water-based adhesive sample for cigarettes and an integral area of a benzyl hydrogen characteristic peak in the internal standard substance; acquiring a correction factor of the internal standard substance; and determining the content of vinyl alcohol groups in the to-be-detected water-based adhesive sample for cigarettes according to the integral area of the methylene hydrogen characteristic peak in the to-be-detected water-based adhesive sample for cigarettes, the integral area of the benzyl hydrogen characteristic peak in the internal standard substance, the correction factor of the internal standard substance and the content of the internal standard substance in the to-be-detected solution. The detection method at least has the advantages of rapidness, high efficiency, high repeatability, low detection limit and the like.
Owner:CHINA TOBACCO SICHUAN IND CO LTD +1

Method for determining composition of amide salt thickening agent

The invention relates to the field of chemical analysis, and discloses a method for determining composition of an amide salt thickening agent. The method comprises the following steps: respectively carrying out TG-DSC and nuclear magnetic resonance hydrogen spectrum measurement on the amide salt thickening agent to respectively obtain a TG-DSC thermal analysis curve and a nuclear magnetic resonance hydrogen spectrum; according to the method, TG-DSC quantitative analysis is adopted, the content of dimethyl terephthalate and octadecylamine in the raw materials of the amide salt thickening agent can be accurately detected through a specific calculation formula, a nuclear magnetic resonance quantitative analysis method is combined, calculation is carried out through the area and molar mass of absorption peaks of all components, and the content of the raw materials of dimethyl terephthalate and octadecylamine in the amide salt thickening agent is calculated. According to the method, the content of metal salts of monoamide, bisamide and N-alkyl terephthalic acid monoamide sodium in the amide salt thickening agent can be accurately detected, and the production process of the amide salt thickening agent can be accurately monitored and guided, so that the method is applied to lubricating grease, and the quality of the lubricating grease is accurately controlled.
Owner:CHINA PETROLEUM & CHEMICAL CORP +1

Permeability coefficient dynamic calculation method, system and equipment based on multi-source sensing and medium

The invention discloses a permeability coefficient dynamic calculation method, system and equipment based on multi-source sensing and a medium, and belongs to the technical field of seepage monitoring, the permeability coefficient dynamic calculation method based on multi-source sensing comprises the following steps: step 1, according to a layered layout and risk area encryption principle, constructing a construction monitoring area; a distributed optical fiber, a proton nuclear magnetic resonance (NMR) sensor, a micro-seismic sensor, a pore water pressure auxiliary sensor and a solute concentration auxiliary sensor are arranged, and strain, pore water distribution, a micro-seismic event, pore water pressure and solute concentration data are synchronously acquired through an edge computing node and 5G transmission. And a microseismic sensor is matched to capture microcrack initiation and expansion in real time, and macroscopic and microscopic association mapping is constructed.
Owner:SHAN DONG GAO XIN YAN TU GONG CHENG YOU XIAN GONG SI

Binder material and methods thereof

PCT designated stage expiredWO2025155961A1Secondary cellsElectrode collector coatingMethacrylateMeth-
Disclosed herein is a binder material including (1) a copolymer of styrene and (meth)acrylate and (2) one or more surfactants. In some aspects, a supernatant is obtained from a sample of an emulsion of the binder material, and a supernatant extract is obtained by filtering and drying the supernatant. Estimated masses of CH2CH2O- (PEG) units and C6H5- (aromatic) units in the supernatant extract are quantified by proton nuclear magnetic resonance (1H NMR) measurements. In some embodiments, a mass ratio of the CH2CH2O- (PEG) units to the C6H5- (aromatic) units is about 6.0 or less and about 0.1 or greater. Also disclosed are battery electrodes and lithium-ion batteries that employ such binder materials. Related methods of making binder materials, battery electrodes, and lithium-ion batteries are also disclosed.
Owner:SILA NANOTECHNOLOGIES INC

A compound with a (9β-H)-pinene core that inhibits weed growth, its preparation method and application

This invention discloses a compound with a (9β-H)-pinene core that inhibits weed growth, its preparation method, and its applications. In this invention, the ethanol extract of the tuberous part of *Cornus mansoni* is purified by macroporous resin column chromatography, followed by recrystallization and C244-distillation. 18 Gradient elution was performed using reversed-phase medium-pressure column chromatography; finally, its chemical structure was identified by methods such as proton NMR, carbon NMR, and comparison with literature data. The compound icacenone in this invention exhibits significant inhibitory effects on the root growth of Arabidopsis thaliana, barnyard grass, and foxtail grass, while remaining safe for the growth of rice and Job's tears, making it a potential pesticide formulation for developing biological herbicides.
Owner:NANJING UNIV OF TRADITIONAL CHINESE MEDICINE

Polylactic acid composition as well as preparation method and application thereof

The invention provides polylactic resin as well as a preparation method and application thereof. The nuclear magnetic resonance hydrogen spectrum of the polylactic acid resin has a first characteristic peak and a second characteristic peak, the first characteristic peak is located at 4.2 ppm to 4.4 ppm, the second characteristic peak is located at 4.0-4.2 ppm, and the ratio of the integral value of the first characteristic peak to the integral value of the second characteristic peak is (0.5-0.8): 1. The resin is high in light transmittance, low in haze and excellent in mechanical property and degradation property.
Owner:WANHUA CHEM GRP CO LTD

Method for qualitatively and quantitatively detecting alkyl nitrite substances by NMR (nuclear magnetic resonance) method

PendingCN121917593AMolecular entity identificationPreparing sample for investigationSelective excitationProton NMR
The invention relates to the technical field of drug detection and chemical analysis, in particular to a qualitative and quantitative detection method for alkyl nitrite substances by an NMR (nuclear magnetic resonance) method, and aims to solve the problems that when the alkyl nitrite substances are detected in the prior art, the alkyl nitrite substances are complex in matrix and cannot be accurately qualitatively detected, and the detection accuracy is poor. In order to solve the problems that in the prior art, a sample to be detected is directly detected after being dissolved in a deuterated reagent at room temperature by utilizing the low-temperature detection characteristic of NMR (nuclear magnetic resonance), and by combining a hydrogen nuclear magnetic resonance spectrum, a one-dimensional selective excitation total correlation spectrum and a diffusion sequencing spectrum, the content of the alkyl nitrite substances is determined. Reliable qualification in a complex matrix is realized; meanwhile, absolute quantification is realized by adopting a stable and easily available internal standard substance 1, 4-dimethoxybenzene, and a deconvolution fitting algorithm is introduced to process signal overlapping in combination with a quantitative nuclear magnetic resonance hydrogen spectrum and a quantitative nuclear magnetic resonance carbon spectrum, so that the anti-interference capability and the result credibility of quantitative detection are improved.
Owner:国家毒品实验室陕西分中心(陕西省公安厅毒品技术中心)

Solubility testing method based on nuclear magnetic resonance hydrogen spectrum technology

The invention discloses a solubility determination method based on a nuclear magnetic resonance hydrogen spectrum technology. The method comprises the following steps: 1, preparing a saturated solution from a sample by using a solvent, and placing the saturated solution in a nuclear magnetic sample tube; 2, placing the nuclear magnetic sample tube in a superconducting nuclear magnetic resonance spectrometer, and measuring a 1HNMR spectrogram of the saturated solution to obtain a spectral peak signal; the nuclear magnetic test parameters and conditions are as follows: the pulse sequence is zg or zg30, the measurement temperature corresponds to the solubility test temperature, and the time is stabilized for more than 10 minutes after the temperature balance is reached; 3, analyzing the spectrum peak, selecting a sample characteristic peak and a solvent characteristic peak, and carrying out integration to obtain the solubility of the sample; the method is based on a nuclear magnetic resonance technology (1H NMR), and the solubility is calculated according to a saturated solution sample characteristic signal and a solvent characteristic signal. The method has the characteristics of simplicity, feasibility, high efficiency, high precision, strong specificity, small dosage, economy, environmental protection and the like, and has a wide application prospect in the aspects of solubility determination and application of most organic matters and the like.
Owner:XIAN MODERN CHEM RES INST

Synthesis method of fumaric acid modified nonionic surfactant

The invention provides a synthesis method of a fumaric acid modified nonionic surfactant, which comprises the following steps: placing BASF fatty alcohol-polyoxyethylene ether in a dry reaction bottle, and then adding fumaric anhydride; oxygen removal and low-temperature dissolution: introducing nitrogen into the reaction bottle for thorough purging so as to completely remove air in a reaction system, sealing the reaction bottle after purging is completed, and heating the sealed reaction bottle in an oil bath pan so as to completely dissolve fumaric anhydride to obtain a mixed solution; catalytic grafting reaction: adding a catalyst into the mixed solution, then gradually heating and continuously stirring, in the reaction process, monitoring the reaction progress in real time through a nuclear magnetic resonance hydrogen spectrum, and judging that the reaction is completed when monitoring that a fumaric acid double-bond characteristic peak disappears and a maleic acid double-bond characteristic peak appears, so as to obtain a reaction mixture; product post-treatment: cooling the reaction mixture to room temperature, standing, removing white precipitate, and collecting residual liquid, namely a crude product of grafted fumaric acid; and determining the grafting rate.
Owner:HANGZHOU THALES MEDICAL TECH CO LTD

Preparation method of calipteroxin and application of calipteroxin as marker for identifying peucedanum praeruptorum

The invention discloses a preparation method of calipteroxin and an application of the calipteroxin in preparation of a marker for detecting peucedanum praeruptorum dunn. The preparation method comprises the following steps: extracting, separating and purifying a peucedanum praeruptorum dunn medicinal material to prepare the calipterixin, detecting a hydrogen-carbon spectrum of the peucedanum praeruptorum dunn by using a nuclear magnetic resonance spectrum, determining that the structure is calipterixin by comparing nuclear magnetic resonance hydrogen-carbon spectrum data in literature, and mixing and extracting peucedanum praeruptorum dunn and peucedanum praeruptorum dunn powder in a gradient proportion to obtain the peucedanum praeruptorum dunn. The UPLC method is used for qualitatively and quantitatively detecting the content of the peucedanum praeruptorum dunn mixed extracting solution calpteroxin in the peucedanum praeruptorum dunn, so that the aim of controlling the quality and the safety of the peucedanum praeruptorum dunn is fulfilled. The UPLC method is used for qualitatively and quantitatively determining the limit standard of the doped peucedanum praeruptorum dunn marker calipteroxin in the peucedanum praeruptorum dunn, and the method has the characteristic of accurately, stably and quickly detecting the doped peucedanum praeruptorum dunn in the peucedanum praeruptorum dunn, so that a scientific basis is provided for ensuring the safety and effectiveness of peucedanum praeruptorum dunn clinical medication.
Owner:JIANGSU PROVINCIAL HOSPITAL OF TCM +1

Method for measuring content of mono-rhamnolipid and di-rhamnolipid through nuclear magnetic resonance hydrogen spectrum

The invention provides a method for determining the content of mono-rhamnolipid and di-rhamnolipid by using a nuclear magnetic resonance hydrogen spectrum, which comprises the following steps: mixing sodium p-hydroxybenzoate as an internal standard substance with a deuterated reagent and a sample to be detected to prepare a sample solution, and scanning to obtain the nuclear magnetic resonance hydrogen spectrum; and substituting the characteristic peak area A internal standard at the delta 6.61-6.69 ppm, the characteristic peak area A single at the delta 4.60-4.63 ppm and the characteristic peak area A double at the delta 4.66-4.69 ppm into a formula for calculation to obtain the concentration of single rhamnolipid in the sample solution or the concentration of double rhamnolipid in the sample solution. The method does not depend on a rhamnolipid standard substance, can directly quantify the content of mono-rhamnolipid and di-rhamnolipid in a sample, has the characteristics of high sensitivity, strong anti-interference capability, good reproducibility and the like, is simple in sample pretreatment method, and breaks through the limitation of a traditional analysis method.
Owner:NANJING TECH UNIV

A method for preparing isoflavone compounds and their use in lowering blood lipids

PendingCN122301825AMass spectrometryIsoflavones
This invention belongs to the field of biomedical technology, specifically relating to an isoflavone compound, its preparation method, and its application. This compound is derived from *Rotenoporosis capillaris* (a type of vine). Derris eriocarpa The stem of *Derris fusiforme* was analyzed using 1D and 2D nuclear magnetic resonance (NMR) spectra (1H NMR, 1C NMR, and high-resolution mass spectrometry), and its structural formula is shown below: Chemical name: 5-hydroxy-6-(2"-hydroxy-3"-methylbut-3"-enyl)-3-(4'-hydroxyphenyl)-7-methoxyisoflavone. Screening using the Sci-finder database revealed that this compound is a novel isoflavone, isolated for the first time from *Derris fusiforme*. Lipid-lowering activity experiments showed that at the same drug concentration (25 μg / mL) as the positive control, it significantly reduced intracellular total cholesterol and triglyceride levels. p <0.001). Therefore, this novel isoflavone compound can be used to prepare drugs, health products, functional foods, or special medical foods for the prevention or treatment of hypertriglyceridemia, hyperlipidemia, obesity, or metabolic syndrome.
Owner:GUANGXI UNIV FOR NATITIES

A piperidine alkaloid compound in portulaca oleracea and extraction and separation method and use thereof

This invention belongs to the field of traditional Chinese medicine extraction and separation technology, and particularly relates to a piperidine alkaloid compound extracted, separated, and identified from purslane, and its extraction and separation method. The novel alkaloid compound has the molecular formula C0. 10 H 14 N6O3, chemical name 2-(6-amino-9- H (-purin-9-yl)piperidine-3,4,5-triol. A method for extracting and separating the above-mentioned novel alkaloid compound is also provided, comprising sequential water decoction extraction, macroporous resin column chromatography, ODS column chromatography, dextran gel column chromatography (Sephadex LH-20), and high-performance liquid chromatography for separation, purification, and preparation. Its structure was determined to be a novel alkaloid compound by mass spectrometry, proton NMR, carbon NMR, and two-dimensional nuclear magnetic resonance spectroscopy. The novel alkaloid compound possesses anti-inflammatory, anticholinesterase, and antioxidant activities. The novel alkaloid compound and its salts or derivatives of this invention can be used as raw materials for drug development and pharmacological activity studies.
Owner:LIAONING UNIV OF TRADITIONAL CHINESE MEDICINE

Production process of deuterated sodium hydroxide d1

The invention discloses a production process of deuterated sodium hydroxide d1, and belongs to the technical field of fine chemical engineering. The production process of the deuterated sodium hydroxide d1 provided by the invention mainly comprises the following steps: dropwise adding water into sodium peroxide solid powder under the conditions of argon atmosphere and ice salt bath, and monitoring the reaction through a nuclear magnetic resonance hydrogen spectrum, so that the reaction progress is effectively monitored, and the reaction is ensured to be complete. Through the anti-conventional addition method, the phenomenon that sodium peroxide is damped and gelatinized in a traditional production method can be effectively avoided, reaction conditions are easy to control, and a stable deuterated sodium hydroxide d1 product with a high deuteration degree can be obtained. And in the production process, a manner of dropwise adding water in stages is adopted, so that on one hand, adverse effects caused by intense reaction degree in the early stage of the reaction can be prevented, and on the other hand, complete reaction can be promoted, and the production efficiency of the deuterated sodium hydroxide d1 can be improved.
Owner:骏承(徐州)新材料科技有限公司

A method for detecting phenolic antioxidant additives in insulating oil

The application discloses a detection method of phenolic antioxidant additives in insulating oil, and belongs to the technical field of insulating oil detection. The application adopts a nuclear magnetic resonance hydrogen spectrum internal standard method for quantitative detection, directly determines the mixed oil sample, an internal standard substance and a deuterated reagent, and calculates the additive content according to the integral area ratio of characteristic quantitative peaks. The chemical shifts of the characteristic quantitative peaks of the internal standard substance and the characteristic quantitative peaks of the phenolic antioxidant additives in the insulating oil are located in the medium field intensity area of the spectrum, and the chemical shifts are not overlapped. The application overcomes technical difficulties such as complicated pretreatment, interference of complex oil matrix, use of toxic reagents and strong dependence on standard products of traditional methods. The detection method has the advantages of small sample consumption, fast analysis speed, green environmental protection, simple operation and the like, and the detection limit can reach 0.004%, and can realize rapid, accurate and reliable quantitative analysis of the phenolic antioxidant additives in the insulating oil.
Owner:STATE GRID SICHUAN ELECTRIC POWER CORP ELECTRIC POWER RES INST

Computer implementation method, computer equipment, readable storage medium and program product for early screening of fetal congenital heart disease

The invention discloses a computer implementation method for early screening of fetal congenital heart disease, computer equipment, a readable storage medium and a program product, and the method comprises the following steps: obtaining a nuclear magnetic resonance hydrogen spectrum based on a pregnant woman serum sample, the nuclear magnetic resonance hydrogen spectrum having a plurality of nuclear magnetic peaks including a choline peak; by taking the characteristic value of the choline peak as a reference, carrying out normalization processing on the characteristic values of all the nuclear magnetic peaks to obtain normalized nuclear magnetic peak values, combining the normalized nuclear magnetic peak values to form a variable map, and taking the variable map as at least one part of the to-be-detected sample; and inputting a to-be-tested sample into the trained classifier, and outputting a fetal congenital heart disease risk prediction result by the classifier. Detection is performed based on a pregnant woman serum sample, so that the medical cost is lower, and clinical popularization is easy; screening can be carried out in 16-18 weeks of pregnancy, and the screening window period is earlier; through test classification, the average accuracy rate is 75% or above, and the early detection rate of the fetal congenital heart disease is guaranteed.
Owner:LISHUI UNIV +1

Intelligent compound identification method and system based on nuclear magnetic resonance hydrogen spectrum

The invention discloses an intelligent compound identification method and system based on a nuclear magnetic resonance hydrogen spectrum, and the method comprises the steps: building training data based on the generation of a Voigt peak-type simulation spectrum and an experiment spectrum, considering a mixed hydrogen spectrum of noise and distortion, building a deep learning model integrating down-sampling, position coding and a coding and decoding attention mechanism, and carrying out the recognition of a target compound. And aligning pure spectrum and mixed spectrum features through cross attention, outputting a compound existence probability, and training by adopting binary cross entropy loss and an Adam optimizer to realize end-to-end automatic identification. According to the method, a data set composed of a high-fidelity theory simulation hydrogen spectrum and an experiment extension spectrum is constructed, and a deep learning model fusing position coding and a coding and decoding attention mechanism is designed, so that end-to-end, high-precision and automatic recognition of compounds in a complex mixture is realized.
Owner:XIAMEN UNIV

High strength hydrogenated polymers, and rubber compositions incorporating same

ActiveUS12715952B2Polymer scienceSilanes
Embodiments of the present disclosure are directed to functionalized copolymers produced by copolymerization of at least one conjugated diolefin monomer and at least one vinyl monomer, the functionalized copolymer including at least one functional group having silica reactive moieties, wherein the functionalized copolymer has a degree of hydrogenation of 75% to 98 mol % as measured using proton nuclear magnetic resonance spectroscopy (1H NMR). In one or more embodiments, the silane modifier may include an oxygen-containing moiety, wherein the oxygen atom of the oxygen-containing moiety may not be directly bonded with the silicon atom.
Owner:BRIDGESTONE CORP

Aconitum quality control method based on quantitative nuclear magnetic resonance hydrogen spectrum technology

The application discloses a quality control method of aconite medicinal herbs based on quantitative nuclear magnetic resonance hydrogen spectrum technology, which comprises the following steps: extracting aconite medicinal herbs by using ethyl acetate, dissolving the extracted liquid in deuterated acetone after drying, adjusting the pH to 1.0-2.0, measuring nuclear magnetic resonance hydrogen spectrum data, and calculating the content of monoester type alkaloids and diester type alkaloids through quantitative peaks. The method is simple, fast and does not need corresponding reference substances, and the quantitative limit can reach 0.2 mM. Moreover, more monoester type alkaloids and diester type alkaloids can be detected, the application range is wide, and the quality of aconite medicinal herbs can be more comprehensively evaluated and controlled.
Owner:MACAU UNIV OF SCI & TECH

Fluorine-containing quaternary ammonium salt cationic surfactant, preparation method and application thereof, and Zhongshengmycin soluble liquid

The invention belongs to the technical field of pesticide adjuvants, and particularly relates to a fluorine-containing quaternary ammonium salt cationic surface active agent, a preparation method and application thereof and Zhongshengmycin soluble liquid. The fluorine-containing quaternary ammonium salt cationic surface active agent is prepared by taking phthalimide potassium salt as a raw material, and the structure of a compound is identified through a nuclear magnetic resonance hydrogen spectrum, a carbon spectrum, a fluorine spectrum, a high-resolution mass spectrum and an infrared spectrum. The fluorine-containing quaternary ammonium salt cationic surface active agent provided by the invention has wetting dispersibility and antibacterial performance, and can improve the stability of the Zhongshengmycin soluble liquid.
Owner:NANKAI UNIV