74 results about "Isotopomers" patented technology

Provided in the present invention is a compound of formula (X), or an isotopic variant, a tautomer or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof as a KRAS mutant inhibitor. Further provided in the present invention are a pharmaceutical composition containing the compound, or the isotopic variant, the tautomer or the stereoisomer thereof, or the pharmaceutically acceptable salt thereof, and the use thereof in the treatment of cancers.

The invention relates to a detection method for determining isotope abundance of a 15N or 18O labeled nitrate sample by using an organic mass spectrum. The detection method comprises the following steps: (1) dissolving the 15N or 18O labeled nitrate sample in a methanol aqueous solution; (2) taking the supernatant, filtering with a filter membrane, and diluting with a methanol aqueous solution to obtain a solution to be detected; and (3) detecting the solution to be detected by using a high-resolution liquid chromatograph-mass spectrometer, selecting a mass spectrum in a peak appearance time window, recording relative mass spectrum signal intensities with mass-to-charge ratios of 61.988 and 62.985, and calculating to obtain the 15N isotope abundance. Or recording the relative mass spectrum signal intensities with the mass-to-charge ratios of 61.988, 63.993, 65.997 and 68.001, and calculating to obtain the abundance of the < 18 > O isotope. Compared with the prior art, the method has the advantages that the sample pretreatment time is greatly shortened, the economic cost is low, and the test result is accurate.

The invention discloses an isotope-based surface water pollution tracing method, which relates to the technical field of environment monitoring, and comprises the following steps: carrying out spatial aggregation analysis on an isotope residual distribution diagram, obtaining a time evolution characteristic table, executing space-time coding on the time evolution characteristic table, and obtaining an abnormal event sequence; analyzing the time continuity and the space change of the abnormal event sequence, outputting a pollution propagation characteristic table, and performing space-time similarity matching and node association on the pollution propagation characteristic table to generate a pollution propagation association matrix; and deducing a link direction of the pollution propagation incidence matrix, generating a pollution propagation path set, executing reverse tracking and regional assembly on the pollution propagation path set, and outputting a surface water pollution traceability report. According to the method, the isotope background model based on the space-time environment feature set is constructed, and the pollution propagation features are analyzed, so that chain reconstruction and dynamic tracking of the pollution event in time and space dimensions are realized.

The invention discloses a dry reboiler for an isotope rectifying tower device. The dry reboiler comprises a porous thin-wall structure and a heating supporting part, wherein the heating supporting part comprises a liquid collecting surface, the porous thin-wall structure is connected with the heating supporting part and located above the liquid collecting surface of the heating supporting part, and the porous thin-wall structure is configured to provide a capillary surface for liquid to flow; liquid on the liquid collecting surface is sucked into the thin wall of the porous thin-wall structure from bottom to top through capillary force, so that gas and liquid flowing in the porous thin-wall structure are subjected to heat and mass transfer; the heating supporting part is provided with a heating rod, the heating supporting part is further configured to transfer heat to the liquid collecting surface of the heating supporting part and the porous thin-wall structure through the heating rod, and the dry type reboiler can reduce the liquid holdup and has the functions of quickly responding to load change, being compact in structure and the like, so that the production requirements of high efficiency, energy conservation and stability are met.

The invention discloses a three-dimensional partition DOM traceability model based on optical and isotope characteristics. The three-dimensional partition DOM traceability model comprises the following steps: S1, establishing an end member library composed of four types of end members; s2, performing multi-index measurement on the basis of the collected samples of the sampling sites in the S1; s3, end member distinguishability test is carried out based on the data measured in the S2, and candidate indexes are selected; s4, inverting an end member contribution proportion of each sampling point; s5, screening an optimal combination; s6, carrying out partition modeling; and S7, pollution dynamic traceability and zoning treatment are carried out. Compared with the prior art, the three-dimensional partition DOM traceability model based on the optical and isotope characteristics and the application method thereof have the advantages that clear parameter combination screening, performance evaluation and partition implementation processes are provided, and the model and the application method support weather / rain period staging modeling and dynamic traceability.

The invention discloses a high-precision determination method for determining iron-bound organic carbon delta 13C in soil, and belongs to the technical field of determination of the content of carbon isotope in soil. A liquid extracting solution is dropped into a tin boat and freeze-dried, an extracting solution of the iron-bound organic carbon is converted into a solid form, and the content of the iron-bound organic carbon delta 13C in the soil is determined. The problem that 13C abundance of a liquid sample is difficult to directly measure is solved, the isotope characterization method of the metal mineral binding state organic carbon is provided for the first time, the problems that mass spectrum signals of the liquid sample are unstable and form mixed measurement errors are large are avoided, accurate analysis (RSD is smaller than or equal to 1%) of form-divided delta 13C is achieved, and a key technical support is provided for research of a soil carbon circulation mechanism.

A method of generating biogas is disclosed, including delivering a feedstock downhole to a coal reservoir, generating biogas within the coal reservoir, and harvesting the biogas. The method comprises delivering a feedstock downhole to a coal reservoir via an injection well, generating biogas within the coal reservoir through microbial action, creating a biogas that is isotopically differentiable from a background gas that is native to the coal reservoir, harvesting the biogas at the injection well and one or more offset wells of the coal reservoir, analyzing the biogas and coal bed methane from the coal reservoir at the injection well and at one or more offset wells within the same coal reservoir, detecting the biogas at the offset wells using isotopic differentiation, and mapping the migration of the biogas from the injection well to the offset wells using the biogas as an isotopic tracer.

The invention provides a flood model parameter calibration method and system based on isotopic tracing, and the method comprises the steps: determining a parameter set and prior distribution which need to be analyzed in a flood model, and the parameter set comprises parameters related to runoff volume and parameters related to isotope transmission in the flood model; randomly generating a group of parameter samples according to prior distribution of parameters; evaluating the sensitivity of each parameter in each group of parameter samples by analyzing the relationship between the parameter samples and the corresponding objective function values; screening out sensitive parameters according to a sensitivity evaluation result; according to the flood model parameter calibration method based on isotopic tracing provided by the invention, the problem of different parameters and the same effect of the flood model is solved, namely, the different parameter and the same effect of the model are greatly reduced (namely, the parameter range when the model evaluation index reaches a specific threshold value or above), and meanwhile, the simulation effect of the flood model in the verification period is greatly improved.

The present invention provides a compound of formula (X) or a pharmaceutically acceptable salt thereof, an isotopic variant thereof, a tautomer thereof, a stereoisomer thereof, an ester thereof, a polymorph thereof, or a hydrate thereof. The present invention further provides a preparation method for the compound, a pharmaceutical composition comprising same, and use thereof for treating and / or preventing diseases related to the inhibition of cathepsin C.

Provided herein are compositions comprising macromolecular photocleavable prodrug compounds of Formula (I), and pharmaceutically acceptable salts, co-crystals, tautomers, stereoisomers, solvates, hydrates, polymorphs, and isotopically enriched derivatives thereof. Also provided are methods, uses, pharmaceutical compositions, and kits involving the inventive compounds or compositions for treating and / or preventing a disease and / or condition (e.g., inflammatory disease, infectious disease, pain) in a subject, optionally comprising illumination of the compound, composition, or pharmaceutical composition with light of an absorption wavelength sufficient to cleave the bonds between each instance of L and each instance of X upon illumination with the light (e.g., light between approximately 200 nm to 500 nm).

An IROA Matrix of metabolite compounds is disclosed. Each of whose compounds has a molecular weight of 2000 AMU or less, and is present as first and second isotopomers that are equally present at two predetermined isotopomeric balances, and contain 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. A reagent pair for transforming a natural abundance mass spectral analysis metabolite sample into an IROA sample is also disclosed and comprises two reactively identical reagents that constitute first and second isotopomers containing 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. Each of the reagent pair contains the same reactive group that reacts with and bonds to a functional group of one or more compounds present in a composition of biologically-produced metabolite compounds. Methods of making and using the above and related materials are also disclosed.

The invention relates to psychoactive medicines including methylone, 2C-B, MBDB, their respective salts, metabolites, isomers, enantiomers, solvates, isotopologues and isotopomers, polymorphs, prodrugs and analogs (2C-series and cathinones); their preparation, formulations, intermediates, routes of administration, dosing and schedule for medical uses for psychiatric and neurological conditions and disorders.

The invention provides a method for detecting the content of proinflammatory regression factors (SPMs) in microalgae oil, which comprises the following steps: adding an isotope internal standard substance into a prepared microalgae oil sample to obtain an internal standard sample solution, adding an alkaline reagent into the internal standard sample solution, and carrying out saponification hydrolysis reaction to obtain an alkaline saponification hydrolysis solution; adding an acidic reagent into the alkaline saponification hydrolysis solution, carrying out acidification treatment, and adjusting the alkaline saponification hydrolysis solution to be acidic to obtain an acidified hydrolysis solution; sequentially purifying, concentrating and redissolving the acidified hydrolysis solution to obtain a solution to be detected; performing UPLC-MS / MS detection on the solution to be detected to respectively obtain a first response value of the target component and a second response value of the isotope internal standard substance; and calculating the content of the target component in the microalgae oil sample according to the first response value, the second response value and an internal standard method standard curve. Therefore, the accurate content of the SPMs in the sample can be obtained, and the detection accuracy is improved.

The application discloses a fluid inclusion standard sample for in-situ isotopic analysis and a preparation and application thereof. The preparation method comprises the following steps: obtaining silicate glass powder with uniform components, carrying out high-temperature and high-pressure reaction on the glass powder and an equal mass of a fluid salt solution in a closed Cu-Au tube, taking out a reaction product after the reaction and drying the reaction product, and obtaining the fluid inclusion standard sample for isotopic analysis. The application can rapidly capture fluid inclusions in the silicate glass with uniform components, and accurately measure and control Cu isotopes in the fluid inclusions by the degree of Cu isotope fractionation between the acid salt melt and the fluid.

A system includes an ion source configured to generate ions having a first polarity, one or more extraction electrodes configured to extract the ions from the ion source as an ion beam having an extraction energy, a mass resolving slit or aperture configured to select a desired isotope from the ion beam such that a desired isotopic ion beam passes through the mass resolving slit or aperture, a target positioned relative to the mass resolving slit or aperture so that the desired isotopic ion beam is incident on the target, and a voltage source coupled to the target and configured to hold the target at a first voltage having the first polarity. The first voltage causes a reduction of the extraction energy as the desired isotopic ion beam approaches the target to minimize sputtering and maximize collection of the ions on the target to reconstitute an ionized material.

A pharmaceutical composition for isotope-selective modulation including at least one isotope selected from the group consisting of 1H, 6Li, 12C, 10B, 14N, 16O, 17O, 24Mg, 26Mg, 28Si, 29Si, 32S, 33S, 39K, 35Cl, 40Ca, 42Ca, 43Ca, 50V, 50Cr, 52Cr, 54Fe, 56Fe, 58Ni, 60Ni, 61Ni, 63Cu, 64Zn, 66Zn, 92Mo, 94Mo, 95Mo, 96Mo, 74Se, 76Se, 77Se, 78Se, 70Ge, 72Ge, 73Ge, 79Br, 85Rb, 107Ag, 130Ba, 132Ba, 134Ba, 135Ba, and 136Ba, wherein said at least one selected isotope is enriched to exceed its relative isotopic ratio found in a naturally occurring sample of the same chemical element. Methods for its use include investigating the isotopic signatures, intervening with isotopic fractionation in mammals.

A method for determining mass defect diagrams with user-defined mass scaling, filtering, and labeling in a mass spectrometer is described. One implementation of the method includes: (i) generating a mass defect diagram from the data, (ii) filtering out all ions in the mass defect diagram that do not have an assigned isotopic ion, (iii) selecting an unidentified ion, (iv) determining an isotopic pattern for the unidentified ion, (v) identifying one or more elements indicated by the isotopic pattern for the unidentified ion, (vi) searching for formulas containing one or more elements indicated by the isotopic pattern for the unidentified ion, (vii) determining a chemical formula for the identified ion, and (viii) displaying a chemical formula for the unidentified ion.

The present disclosure relates to methods for assessing metabolic flux. In some aspects, the disclosure relates to methods for estimating absolute metabolic flux for a pathway of interest based upon a level of one or more metabolites and / or isotopologues thereof at a single point in time following administration of a tracer to a subject. In some embodiments, the methods described herein are performed or generated using artificial intelligence / machine-learning (AI / ML) models.

Disclosed in the present invention are a compound derivative represented by formula I or an isotopically labeled compound thereof, or an optical isomer, geometric isomer, tautomer or mixture of isomer thereof, or a pharmaceutically acceptable salt thereof. On the basis of the application of a dual-protection strategy, diverse carrier fragments are introduced at the 5-hydroxyl group and hydroxylamine group of the N4-hydroxycytidine molecule to develop an N4-hydroxycytidine prodrug. Such a modification enhances the affinity for a pulmonary cell membrane (phospholipid membrane), rendering the physicochemical properties of the drug suitable for the physiological environment of lung tissue. Therefore, the compound of the present invention has a broad application prospect in the aspect of broad-spectrum anti-respiratory viruses.

The invention relates to psychoactive medicines including methylone, 2C-B, MBDB, their respective salts, metabolites, isomers, enantiomers, solvates, isotopologues and isotopomers, polymorphs, prodrugs and analogs (2C-series and cathinones); their preparation, formulations, intermediates, routes of administration, dosing and schedule for medical uses for psychiatric and neurological conditions and disorders.

The invention discloses a heteroaromatic ring compound as well as a preparation method and application thereof. Specifically, the invention relates to compounds of formula (I), and stereoisomers, geometric isomers, tautomers, pharmaceutically acceptable salts, prodrugs, hydrates, solvates or isotope labeled analogues thereof. The invention also relates to a preparation method and application of the compound. # imgabs0 #

A device has a substrate comprising first, second and third layers of a crystalline material such as silicon. The second layer is between the first and third layers. A radiation damage centre (RDC) is located in the second layer. In some embodiments the RDC is optically coupled to an optical resonator The second layer has an isotopic composition that is different from that of the first and third layers. The RDC may be formed by ion implantation. The RDC may be addressable independently of any RDCs located outside of the second layer as a result of characteristics of the RDC that vary depending on the isotopic composition of the environment of the RDC. Methods for making and testing devices are also described.

The invention relates to the technical field of isotope detection, in particular to a molecular emission spectrum-based isotope abundance and ratio detection device and a molecular emission spectrum-based isotope abundance and ratio detection method. The device comprises a computer, and a long pulse laser unit, a light path transmission unit, an LED illumination focusing unit, a three-dimensional displacement table and a spectrograph which are connected with the computer. Existing viewpoints consider that long-pulse laser is not beneficial to microcell excitation and high-resolution spectrum acquisition due to wide pulse width, so that the long-pulse laser is less applied to isotope fine spectral line difference identification. According to the invention, the signal intensity is enhanced in a breakthrough manner through a molecular emission cascade mechanism, the possibility of micro-area high-resolution isotope molecule detection is realized, and rapid, accurate and real-time in-situ detection of isotope abundance and ratio in a sample is realized by generating plasma and inducing a molecular emission spectrum through in-situ laser ablation. The device has the advantages of few optical elements, simple structure, convenient optical path adjustment, and facilitation of miniaturization and on-site application and popularization.

This application belongs to the field of environmental analytical chemistry and environmental geochemistry, and specifically discloses a molecular formula matching method for Fourier transform ion cyclotron resonance mass spectrometry, including: calculating all possible candidate molecular formulas based on the mass spectrometric information of dissolved organic matter samples determined by FT-ICR MS; identifying double-charged molecular formulas based on the double-charge recognition rule; and based on... 18 O-marking validation rules, filtering out initially valid entries containing... 18 O candidate molecular formula; based on 13 C / 12 C 34 S / 32 S and 15 N / 14 The isotopic patterns of N were used to eliminate false positive molecular formulas; the optimal molecular formula for each mass spectral peak was determined from the remaining candidate molecular formulas, and the optimal formula was determined based on the double charge recognition rule and... 18 O-labeling verification rules, for double-charged molecular formulas and those containing O-labeling in the optimal molecular formula. 18 The molecular formula of O was re-verified. This application enables the verification of molecules containing O. 18 The high accuracy of matching between O-labeled molecules and double-charged molecules improves the accuracy of molecular formula matching.

Provided herein are compositions comprising macromolecular photocleavable prodrug compounds of Formula (I), and pharmaceutically acceptable salts, co-crystals, tautomers, stereoisomers, solvates, hydrates, polymorphs, and isotopically enriched derivatives thereof. Also provided are methods, uses, pharmaceutical compositions, and kits involving the inventive compounds or compositions for treating and / or preventing a disease and / or condition (e.g., inflammatory disease, infectious disease, pain) in a subject, optionally comprising illumination of the compound, composition, or pharmaceutical composition with light of an absorption wavelength sufficient to cleave the bonds between each instance of L and each instance of X upon illumination with the light (e.g., light between approximately 200 nm to 500 nm).

An IROA Matrix of metabolite compounds is disclosed. Each of whose compounds has a molecular weight of 2000 AMU or less, and is present as first and second isotopomers that are equally present at two predetermined isotopomeric balances, and contain 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. A reagent pair for transforming a natural abundance mass spectral analysis metabolite sample into an IROA sample is also disclosed and comprises two reactively identical reagents that constitute first and second isotopomers containing 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. Each of the reagent pair contains the same reactive group that reacts with and bonds to a functional group of one or more compounds present in a composition of biologically-produced metabolite compounds. Methods of making and using the above and related materials are also disclosed.

The present application relates to monomer chlorine isotopic standard sample preparation technical field, especially monomer chlorine isotopic high-precision gradient standard sample preparation device. In the present application, since the depth of each groove is greater than or equal to the height of the sample bottle, the groove wall covers the whole bottle body of the sample bottle, prevents photolysis from occurring when the sample volatilizes, and influences the determination of isotopic value; then the temperature is adjusted by the temperature control device, so as to adjust the experimental conditions of the volatilization and fractionation of isotopes by adjusting the temperature; the air flow effect is realized by the air control device, and under the action of the lifting speed control cover, the distance between the cover body and the sample bottle is adjusted by the lifting mechanism, so as to control the air flow speed above the sample, and dust in the air can be avoided from falling. Under the joint action of the sample platform, the air control device and the temperature control device, the influence caused by the influencing factors in the preparation of chlorine organic compound standard samples with different fractionation degrees by using the volatilization method can be avoided, and the accuracy of detection is ensured.

The present invention provides compounds useful for the treatment or prevention of diseases or conditions involving (a) thromboembolic disorders, (b) inflammatory disorders, or (c) plasma kallikrein activity. [Solution] A compound of formula (I), or its tautomers, stereoisomers, isotope substitutions, or pharmaceutically acceptable salts or solvates is provided. TIFF2026062690000101.tif47128