23 results about "Chemical research" patented technology

The invention relates to the technical field of chemical reaction experiment simulation, and discloses an AI-based chemical reaction experiment simulation system and method, the system comprises a reaction mechanism model and a dynamic simulation model, the reaction mechanism model carries out integration processing on experiment initial data, and the dynamic simulation model carries out dynamic simulation on the experiment initial data; and the dynamic disturbance suppression layer performs dynamic disturbance suppression on the real-time reaction data flow, inputs a path generation layer simulation reaction track and generates a state instruction. The path generation layer comprises a data preprocessing module and a dynamic path generation module, and reaction key node recognition, compensation field data generation and state instruction optimization are achieved through energy level association processing, dynamic matching modeling, multi-dimensional parameter fusion and the like. According to the method, multi-dimensional data integration, dynamic disturbance processing and trajectory simulation precision are improved, accurate regulation and control and high-risk early warning of the reaction state are realized, the experiment cost and risk are reduced, and the method is suitable for reaction analogue simulation in chemical research and industrial production.

The invention discloses a multi-workstation collaborative chemical experiment robot control system, and relates to the technical field of robot control. According to the system, through closed-loop collaboration of the chemical knowledge model module, the robot experiment execution module, the equipment management module and the multi-workstation collaborative scheduling module, intelligent design of an experiment process, full-process automatic execution, standardized integration of data and accurate optimization of parameters are realized, and the efficiency and repeatability of a chemical experiment are greatly improved; errors caused by manual intervention are reduced, the research and development process of chemicals is accelerated, meanwhile, the product performance standard-reaching rate is increased by means of a spectrum structure-activity relationship prediction model, efficient overall utilization of resources of multiple workstations is achieved, and the working efficiency is improved. The problems that in a traditional chemical experiment, cooperative scheduling of multiple workstations is not smooth, experiment process design depends on artificial experience, parameter adjustment lacks scientific data support, experiment data processing is fragmented, and product performance prediction precision is insufficient are solved.

This invention belongs to the field of microbial electrochemistry and single-cell analysis technology, and specifically relates to a femtocoulomb-level single-bacterial surface charge imaging method and its application. This technology is based on electrochemiluminescence microscopy, utilizing the spontaneous enrichment of cationic ECL luminescent molecules by the electrostatic field of the negative charge on the bacterial surface, thereby non-destructively enhancing its ECL signal. By establishing a quantitative relationship between the ECL intensity enhancement ratio and the number of adsorbed molecules, and combining this with COMSOL simulation to determine the thickness of the luminescent layer, it achieves for the first time high-throughput, high spatiotemporal resolution dynamic quantitative measurement of femtocoulomb-level charges on the surface of a single living bacterium. The invented technology has high sensitivity, high resolution, and good biocompatibility, and can be used to reveal bacterial metabolic-charge regulation mechanisms, analyze synergistic electron transport pathways, and screen highly electroactive bacterial subpopulations in situ, providing a key tool for microbial electrochemical research.

The application discloses a reaction optimization method based on double-view contrast learning and double-layer attention, and relates to the technical field of chemical informatics and artificial intelligence. The method comprises the following steps: constructing a double-view molecular representation model, extracting molecular features from a graph structure view and a path sequence view, and pre-training the model through self-supervised contrast learning; constructing a chemical reaction prediction model; pre-training the chemical reaction prediction model by using the extracted molecular features in a chemical reaction data set; taking the reaction prediction model as a proxy model of Bayesian optimization; and realizing the collaborative and rapid optimization of material variables such as reactants, catalysts and solvents, and numerical condition variables such as temperature and concentration. The application effectively solves the problems of missing molecular representation information and low optimization efficiency of high-dimensional mixed variables in the prior art, and significantly speeds up the chemical research and development process.

The invention belongs to the field of chemical research service, and particularly relates to a preparation method of aluminum oxide aerogel with super-hydrophobicity. Comprising the following steps: mixing aluminum salt, deionized water and aluminum powder, and heating and stirring for reaction to form stable aluminum sol; adding a spinning aid into the aluminum sol, uniformly stirring, and standing to obtain an aerogel precursor solution; uniformly mixing and stirring aluminum sol, acid, alcohol, a water repellent agent and a spinning aid to obtain prepolymer sol; spinning the prepolymer sol into an aerogel precursor through electrostatic spinning; and drying the gel precursor to obtain the aluminum oxide hydrophobic aerogel. The aluminum oxide aerogel material prepared by the method has high specific surface area, excellent heat insulation performance and stable super-hydrophobic performance.

The invention relates to the technical field of medicine and chemical industry, and discloses an artemisinin C-16-bit derivative and a preparation method and application thereof, the structural general formula of the artemisinin C-16-bit derivative is as shown in formula (1): # imgabs0 #, R1 is one of 4-(tert-butyl) benzenesulfonyl, 4-chlorobenzenesulfonyl, 4-fluorobenzenesulfonyl, 4-(trifluoromethyl) benzenesulfonyl, 4-methyl benzoyl and cyclopropyl formyl; and n is 1 or 2. According to the artemisinin C-16 site derivative disclosed by the invention, a specific aryl ester group is introduced to the C-16 site, so that the molecular polarity and the pharmacokinetic property are optimized, and the anti-tumor activity is improved. The artemisinin C-16-bit derivative disclosed by the invention provides a new strategy for chemical research and development of novel artemisinin derivatives and cancer treatment.

The invention provides a lignan compound in phyllanthus emblica and application of the lignan compound in preparation of cosmetics and medicines, and belongs to the technical field of medicines. Five lignan compounds Phyllanthus emblica A-E, namely phyllanthus emblica A-E, are obtained from Phyllanthus emblica L. leaves, a thin layer chromatography method is mainly adopted for guidance, a high performance liquid chromatography separation technology and other plant chemical research means are combined, and a DPPH free radical scavenging activity evaluation model and an LPS-induced NO inhibition model are adopted, so that the phyllanthus emblica A-E can be used for preparing the phyllanthus emblica L. extract, and the phyllanthus emblica L. extract can be used for preparing the phyllanthus emblica L. extract, the phyllanthus emblica L. extract, the phyllanthus emblica L. extract and the phyllanthus emblica L. extract and the phyllanthus emblica L. extract. The traditional Chinese medicine composition is prepared into a solid, liquid or paste dosage form according to a conventional method, so that the anti-oxidation and anti-inflammatory treatment effects are realized. The lignan compound disclosed by the invention is simple and convenient in preparation method, high in yield and excellent in purity, and the obtained compound is a new natural secondary metabolite and has remarkable antioxidant and anti-inflammatory activity.

A funnel placing rack belongs to the technical field of experimental equipment and comprises a plurality of placing rack units. Each placing rack unit comprises a funnel supporting plate, a funnel inserting hole for inserting a funnel is formed in the funnel supporting plate, a bottom plate is arranged below the funnel supporting plate, the bottom plate and the funnel supporting plate are arranged at an interval and used for bearing a filtrate container, and baffles are arranged at the two ends of the funnel supporting plate and the two ends of the bottom plate; the top ends of the baffles are matched with the bottom ends of the baffles in shape, and the storage rack units are stably arranged. According to the utility model, the form can be changed according to use and storage requirements, so that the purpose of saving space is achieved. Meanwhile, the chemical experiment table is flexible to use, beneficial to chemical experiments and convenient to store. The device is suitable for laboratory filtering links in various industries such as metallurgy and environmental protection, and has a certain application prospect in the field of chemical research.

The utility model relates to a kind of high-efficiency micro solid powder quantitative metering and transfer tool, it is related to laboratory chemical research field, including: disposable sampling head, disposable sampling head includes outer tube and piston block, piston block is slidably sleeved in outer tube;One end of piston block is connected drive module, drive module is used to drive piston block to slide in outer tube, and the other end of piston block is formed between the outer tube away from drive module and the cavity for accommodating powder.

The invention relates to the technical field of medicine and chemical industry, and discloses an artemisinin C-16 aromatic amine derivative and a preparation method and application thereof, the structural general formula of the artemisinin C-16 aromatic amine derivative is as shown in the formula (1): imgabs0 #, r1 is one of 4-(tert-butyl) benzenesulfonyl, 4-chlorobenzenesulfonyl, 4-fluorobenzenesulfonyl, 4-(trifluoromethyl) benzenesulfonyl, cyclopropyl sulfonyl, cyclopropane formyl, 4-methyl benzoyl, isoquinoline-5-sulfonyl, 4-hydroxybenzenesulfonyl and 6-chloronicotinoyl, and R2 is one of 4-(tert-butyl) benzenesulfonyl, 4-chlorobenzenesulfonyl, 4-fluorobenzenesulfonyl, 4-(trifluoromethyl) benzenesulfonyl, cyclopropyl sulfonyl, cyclopropane formyl, 4-methyl benzoyl, isoquinoline-5-sulfonyl, 4- And n is 1 or 2. According to the artemisinin C-16 site aromatic amine derivative disclosed by the invention, a specific aromatic amide group is introduced to a C-16 site, so that a novel derivative is prepared. The artemisinin C-16 aromatic amine derivative disclosed by the invention has antitumor activity, and a new strategy is provided for chemical research and development of novel artemisinin derivatives and cancer treatment.

The invention relates to the technical field of organic synthesis, in particular to a monofluoro azidone compound as well as preparation and application thereof. The preparation method comprises the following steps: dissolving a first compound and an azide source, uniformly mixing, reacting under the protection of nitrogen, and performing post-treatment to obtain the monofluoro azidone compound. The preparation method of the monofluoro azidone compound provided by the invention has the characteristics of short reaction time and low reaction temperature; in this way, in the production process, a large amount of energy and time cost can be saved, the production efficiency is improved, and energy consumption and the requirement for equipment in the production process are reduced; according to the preparation method provided by the invention, the monofluoro azidone compound can be efficiently synthesized, and the yield is relatively high; the utilization rate of the raw materials is increased, the waste is reduced, and large-scale industrial production becomes possible; the structure of the monofluoro azidone compound is brand new, a new direction and possibility are provided for chemical research and application, and innovation and development in related fields are promoted.

The present invention discloses a method for quickly identifying sulfur-fumed Fritillaria. The method comprises the following steps: S1, crushing the sample to be tested and dissolving it in a methanol solution, mixing it and then centrifuging it, and filtering it to obtain a filtrate; S2, subjecting the filtrate to UPLC‑Q‑TOF‑MS analysis to obtain a total ion current chromatogram. When the total ion current chromatogram includes a molecular ion peak of 508.27±0.0003, that is, it contains sulfonated Fritillaria thunbergii, then the sample to be tested is sulfur-fumed Fritillaria. The present invention uses UPLC‑Q‑TOF‑MS in combination with metabolomics statistical methods. On the basis of chemical research on the sulfur-fumigated Fritillaria system, a common sulfur-containing marker is found in the sulfur-fumigated Fritillaria for rapid identification of sulfur-fumigated Fritillaria. The method of the present invention can also quickly detect samples with a sulfur dioxide residue of only 35 mg / kg. It is fast, simple, and highly specific, and has great promotional significance.

The application provides a kind of heterocyclic imidazole-2-oxazoline compound and its preparation method and application, belong to chemical synthesis technical field.The heterocyclic imidazole-2-oxazoline compound provided by the application has the structure shown in formula A, which includes heterocyclic and oxazoline fragment in structure, has certain inhibitory effect on various plant pathogenic fungi (such as rice sheath blight fungus, oilseed rape sclerotinia, tomato botrytis cinerea, wheat scab fungus, pepper pythium disease fungus), is expected to be used as a new type of fungicide candidate compound or directly as fungicide, at the same time, heterocyclic imidazole-2-oxazoline skeleton as ligand molecule with chemical catalytic activity, has important significance for biological and chemical research field.The preparation method of the above compound is provided, which is synthesized by using simple and easy-to-synthesize heterocyclic imidazole-2-carboxylic acid as starting material, the synthesis route is short, the raw material is easy to obtain, and industrialized batch production is easy to realize.

This invention relates to the field of traditional Chinese medicine research technology, specifically a method for discovering and identifying quality markers for the antitussive and expectorant effects of Ke Ning granules. This application evaluates the antitussive and expectorant effects of Ke Ning granules using concentrated ammonia-induced cough and phenol red excretion assays. Plasma pharmacochemistry studies of Ke Ning granules were conducted using UHPLC-Q-Exactive Plus Orbitrap HRMS technology, identifying 26 prototype blood-entering components. Through network pharmacological analysis of these blood-entering components, 11 potential active ingredients for antitussive and expectorant effects of Ke Ning granules were screened, involving 40 common targets including IL6, TLR4, and STAT3, and mainly participating in signaling pathways such as PI3K-Akt, HIF-1, and EGFR. Seven prototype blood-entering components were quantitatively analyzed using pharmacokinetic methods. Azelaic acid, caffeic acid, and vanillin were selected as quality markers for the antitussive and expectorant effects of Ke Ning granules based on efficacy, transmissibility, and measurability. The results of this study are of great significance for further clarifying the pharmacodynamic material basis of Ke Ning granules, optimizing quality standards, and promoting its clinical application.

The present invention discloses a dual-affinity aptamer sensor with a wide dynamic range and its preparation and application. The sensor is fixed on the surface by a uric acid aptamer with a redox reporter methylene blue (MB) and an auxiliary chain complementary to the 5' terminal region of the uric acid aptamer is introduced, so that the probe part on the sensing interface is hybridized, thereby reducing the sensor background signal and significantly improving the sensitivity. At the same time, the introduction of the auxiliary chain causes the sensor surface aptamer probe to have two different affinities, so that the dynamic range of the sensor is widened from 81 times to about 3000 times; It solves the limitation that traditional E-AB sensors only have a limited dynamic range, thereby expanding its application in a wider concentration range. The present invention has broad application prospects in medical diagnosis (such as monitoring of diseases such as hyperuricemia and gout), food safety testing (such as detecting uric acid content in food), and biochemical research.

The application discloses a high-dimensional parameter global optimization chemical intelligent design system and relates to the technical field of chemical design. The high-dimensional parameter global optimization chemical intelligent design system defines the core architecture of the high-dimensional parameter global optimization chemical intelligent design system, integrates four core modules of chemical and material database construction, chemical descriptor extraction, high-dimensional structure-activity relationship prediction model training, intelligent design and reverse deduction, and forms a full-process closed-loop technical scheme of data-feature-model-design. The core benefit is that the traditional chemical research and development is broken through the limitation of scattered data, fragmented algorithm and experience-dependent design, and for the first time, the integrated design from data automatic collection to intelligent scheme output is realized, a systematic solution for high-dimensional parameter global optimization is provided, the protection foundation of the whole technical scheme is laid, and the intelligent level and research and development efficiency of chemical research and development are significantly improved.

The utility model relates to the technical field of chemical research, and discloses a material analysis detector liquid sampler with an anti-splashing baffle, which comprises a pneumatic tube, the bottom of the pneumatic tube is slidably connected with a rubber head, the outer side of the pneumatic tube is fixedly connected with a protective shell, the left side of the protective shell is fixedly connected with a hinge, and the left side of the protective shell is fixedly connected with an anti-splashing baffle. A baffle is fixedly connected to the left side of the hinge, a piston head is slidably connected to the inner side of the air pressure pipe, a piston rod is fixedly connected to the top end of the piston head, a shifting piece is fixedly connected to the top end of the piston rod, and a resistance fixing piece is fixedly connected to the outer side of the shifting piece. According to the utility model, the piston can be pushed to move by using fingers to drive the shifting piece, the absorption amount can be automatically controlled, the convenience is improved by single-hand operation, more operation space can be provided during operation, and an anti-splashing baffle plate is additionally arranged, so that the injury to operators caused by splashing of chemical reagents during operation is prevented.

The invention discloses a leakage calculation method, system and equipment for liquid hazardous chemical substances in different scenes, and belongs to the technical field of hazardous chemical substance research. The method comprises the following steps: determining a current leakage scene according to environment inspection data; wherein the environment detection data at least comprises a leakage opening area, a leakage coefficient, internal pressure, environment pressure and physical and chemical properties of the liquid hazardous chemical substance; determining a matched target calculation model based on the current leakage scene; wherein the target calculation model at least comprises a leakage rate calculation unit, a flash evaporation rate calculation unit and a liquid pool evaporation capacity calculation unit; different leakage scenes correspond to different calculation models; and based on the target calculation model, calculating a cloud cluster gas amount and a liquid pool liquid amount generated by liquid hazardous chemical substance leakage in the current leakage scene. By means of the method, the gas-liquid two-phase leakage amount generated when the liquid hazardous chemical substance leaks is calculated.

The present invention relates to the technical field of chemical reaction experiment simulation, and discloses an AI-based chemical reaction experiment simulation system and method. The system includes a reaction mechanism model and a dynamic simulation model. The former integrates and processes the initial experimental data, and the latter dynamically suppresses the disturbance of the real-time reaction data stream and inputs it into the path generation layer to simulate the reaction trajectory and generate state instructions. The path generation layer contains a data preprocessing module and a dynamic path generation module, which realizes the identification of key reaction nodes, compensation field data generation and state instruction optimization through energy level correlation processing, dynamic matching modeling, multi-dimensional parameter fusion, etc. The present invention improves the accuracy of multi-dimensional data integration, dynamic disturbance processing and trajectory simulation, realizes precise control of reaction state and high-risk warning, reduces experimental costs and risks, and is suitable for reaction simulation in chemical research and industrial production.

The present invention discloses a method for determining the deep extension of polymetallic ore bodies in magmatic hydrothermal deposits using fluid inclusions. This method systematically conducts geochemical research on fluid inclusions based on large-scale structural-alteration petrographic mapping to identify the physicochemical conditions, such as temperature and salinity, of the ore-forming fluids, as well as the fluid evolution characteristics, and estimate the mineralization depth. Based on the spatial distribution characteristics of geological-temperature and geological-salinity anomaly maps, a prospecting model for hydrothermal polymetallic deposits is constructed, deep-extending indicators of vertical changes in fluid inclusion temperature and salinity are extracted, and the deep-extending patterns of the polymetallic ore bodies are determined. This method solves the technical difficulty of locating deep ore bodies in magmatic hydrothermal deposits, helps infer the spatial positioning patterns of deep ore bodies (groups), and provides an important geological basis for deep resource exploration and shortening the prospecting cycle.

The invention discloses a reaction optimization method based on double-view comparative learning and double-layer attention, and relates to the technical field of chemical informatics and artificial intelligence. The method comprises the following steps: constructing a double-view molecular representation model, respectively extracting molecular features from a graph structure view and a path sequence view, and carrying out self-supervised contrast learning pre-training on the model; constructing a chemical reaction prediction model; the method comprises the following steps: pre-training a chemical reaction prediction model by utilizing molecular characteristics extracted in a chemical reaction data set, and taking the reaction prediction model as an agent model of Bayesian optimization to realize collaborative rapid optimization of substance variables of reactants, catalysts, solvents and the like and numerical condition variables of temperature, concentration and the like. According to the method, the problems of molecular characterization information loss and low high-dimensional mixed variable optimization efficiency in the prior art are effectively solved, and the chemical research and development process is remarkably accelerated.

A deformable combined funnel stand belongs to the technical field of experimental equipment and comprises a funnel group and a bearing group, the funnel group can be turned over and is used for changing the length and the width of a funnel supporting plate by turning over a funnel supporting plate unit according to needs; the bearing set can be turned over and used for changing the length and the width of the bearing plate by turning over the bearing plate unit according to needs. According to the utility model, the funnel group and the bearing group can be turned over to change the overall length and width, so that the purpose of changing the shape of the occupied space is achieved. After the deformable combined funnel stand is put into use, other experiments can be conveniently carried out cooperatively, the combined form can be changed according to the size of a storage space, the deformable combined funnel stand is convenient to store, and the deformable combined funnel stand is flexible in structural design and use, can support and store a plurality of funnels and receive filtrate containers at the same time, and is high in working efficiency. The filter is suitable for laboratory filtering links in metallurgy, environmental protection and other industries, and has certain application prospects in the field of chemical research.

The invention discloses a seasonal river water environment quality evaluation method based on chemical research service data, and the method comprises the following steps: 1, deploying a low-field nuclear magnetic resonance online detection device on each sampling section, applying a radio frequency excitation pulse to a water sample entering a detection cavity, and collecting a free induction attenuation signal; collecting the one-dimensional nuclear magnetic resonance spectrum vectors of the sampling sections according to seasonal division to form a nuclear magnetic resonance spectrum data set; 2, constructing a one-dimensional convolutional neural network model, and forming a pollutant feature matrix corresponding to each sampling section in each season; and step 3, establishing classic domain matter elements and joint domain matter elements corresponding to each water quality grade according to a water environment quality standard, and summarizing water environment quality evaluation grades of each sampling section in each season to form a seasonal river water environment quality comprehensive evaluation result. According to the invention, on-site rapid detection and automatic spectrogram analysis of organic pollutants are realized, and the problem of poor timeliness of traditional off-line detection is overcome.