361 results about "Solvation" patented technology

The invention provides a solvent compound crystal which is formed by rosmeltirol and a 1, 4-dioxane solvent, and the molecular formula of the solvent compound crystal is C17H12Cl2N6O4.C4H8O2. The preparation process of the crystal form is simple, the operation is simple and convenient, the quality index of the obtained crystal form is basically kept unchanged in a stability acceleration experiment, the crystal form has good stability and is easy to store in the production circulation process, a good choice is provided for preparation of a medicinal preparation of the crystal form, and the crystal form has very important significance for medicine development.

The invention discloses a semi-dry method electrode and a preparation method thereof. The semi-dry method electrode preparation method is different from the existing wet method and dry method electrode preparation technology, on one hand, the atomized and dispersed conductive glue solution is formed by mixing the binder and the conductive agent and then atomizing and dispersing the mixture, and on the other hand, the electrode material is dispersed into suspended particles in the gas-phase medium; and then carrying out solid-liquid mixing and sedimentation on the obtained atomized and dispersed conductive adhesive solution and suspended particles to form an aggregate, collecting the obtained aggregate, spreading and compounding on a current collector, and drying. In the process of carrying out solid-liquid mixing and sedimentation on the conductive glue solution and the suspended particles to form the aggregate, as the binder can be in full contact with and coats the surface of the active material, a better bonding effect can be realized, the usage amount of a solvent and the binder is reduced while the bonding effect is ensured, less solvation is realized, and the service life of the conductive glue solution is prolonged. The energy consumption is low, the pole piece mechanical strength is higher, the loading capacity is higher, the active material structure is not damaged, and the advantages of a wet method and a dry method are achieved.

The invention belongs to the technical field of two-dimensional material preparation, and particularly relates to a two-dimensional fullerene covalent network, an electrochemical synthesis method and a photoelectric detector. The method comprises the following steps: by taking a fullerene superlattice material as a cathode, an inert material as an anode and a mixed solution of quaternary ammonium salt containing hydrogen protons and a polar aprotic solvent as an electrolyte solution, performing electrochemical stripping under constant potential to obtain a large batch of two-dimensional fullerene networks within a short time. Based on intercalation and expansion of layered fullerene superlattices, in combination with an in-situ reduction assisting effect of solvated protons at the edge of Mg4C60 crystals, quaternary ammonium salt cations are electrically driven to perform rapid intercalation expansion, generated hydrogen bubbles destroy relatively strong interaction force between layers, rapid and uniform intercalation of the quaternary ammonium salt cations between the layers is promoted, and the performance of the Mg4C60 crystal is improved. The stripping efficiency is as high as 83%, the single-layer stripping rate is as high as 30%, and the stripped two-dimensional C60 covalent network keeps a complete crystal structure and a large size.

The invention discloses a microemulsion cleaning agent capable of rapidly and efficiently removing radioactive dirt, and belongs to the technical field of special decontaminants. The microemulsion cleaning agent for rapidly and efficiently removing radioactive dirt comprises the following components in percentage by mass: 15 to 20 percent of surfactant, 10 to 15 percent of oxidant, 10 to 15 percent of green chelating agent, 1 to 1.5 percent of assistant, 20 to 50 percent of oil, 0.001 to 0.5 percent of defoaming agent, 0.01 to 7 percent of corrosion inhibitor and the balance of water. The product obtained by the invention integrates oxidation, chelation and solvation, can effectively remove reduced dirt, quickly and efficiently capture and wrap nuclide ions, and is firmly combined to quickly and effectively remove radioactive dirt.

An HPK1 degradation agent and use thereof in the field of medicine. The invention specifically relates to a compound as shown in a general formula (I) or a stereoisomer, a racemate, a tautomer, a deuterated substance, a solvate, a prodrug, a metabolite, a pharmaceutically acceptable salt or eutectic thereof, and an intermediate thereof, and the use thereof in inhibiting or degrading HPK1-related diseases such as cancer. B-L-K (I)

The invention belongs to the technical field of membranes, and discloses a monovalent / divalent cation selective separation membrane based on an intrinsic microporous polymer, and the preparation route of the membrane is as follows: taking an ether-free polymer synthesized by super acid catalysis as a precursor, introducing an ion exchange site into the polymer by utilizing grafting of a sulfonated monomer, and preparing the monovalent / divalent cation selective separation membrane based on the intrinsic microporous polymer. And improving the separation performance of monovalent ions / divalent ions by using an alkoxy chain graft with specific interaction on the monovalent ions, and greatly improving the mechanical strength of the membrane by using the interaction of hydrogen bonds between main and side chains, thereby finally obtaining the monovalent / divalent cation selective separation membrane. According to the present invention, the industrial production difficulty is significantly reduced by the full solvation reaction membrane synthesis route, the selectivity of the prepared membrane material is superior to the selectivity of the commercial membrane of the same type, the extremely high mechanical strength is maintained, and the large-scale production and application potential is provided.

The invention discloses a method for predicting molecular solvation free energy based on machine learning, relates to the technical field of computational chemistry, and solves the technical problem that a molecular dynamics method consumes a large amount of computing resources and time. The method comprises the following steps: using SMILES formulas of solute molecules and solvent molecules as input data; converting the SMILES formula into a one-dimensional descriptor, a two-dimensional descriptor and a three-dimensional descriptor of a molecule based on an RDKit tool; based on an open source experiment data set, training a machine learning model through an association relationship between a one-dimensional descriptor, a two-dimensional descriptor and a three-dimensional descriptor of a molecule and experiment solvation free energy to obtain a prediction model; and inputting molecular descriptors of solute molecules and solvent molecules into the prediction model to obtain a result of predicting solvation free energy of the solute molecules. Existing molecular dynamics simulation is replaced by the machine learning model, and meanwhile, model training is performed by adopting a machine learning algorithm and experimental data, so that the accuracy and the stability of a prediction result are improved.

A battery includes a cathode comprising a disordered rock salt structure and an electrolyte. The electrolyte includes a solvating solvent and a lithium salt soluble in the solvating solvent. The electrolyte includes a diluent that is miscible with the solvating solvent. The solubility of the lithium salt in the solvating solvent is at least 5 times the solubility in the diluent, and the solvating solvent and the diluent are present in the battery at a diluent / solvating solvent ratio of 0.1 to less than 3.0.

The invention discloses a triphenyl phosphate standard substance structure identification method, and relates to the technical field of fluorine-containing gas emission reduction, and the method comprises the following steps: obtaining a standardized analysis sample through fluorine-containing matrix separation, target substance enrichment and solvation treatment; a multi-dimensional chromatographic system and a heart cutting technology are adopted, and temperature programming optimization is combined to realize separation and purification of a sample; carrying out multi-dimensional structure analysis and confirmation by using gas chromatography-mass spectrometry, infrared spectroscopy and nuclear magnetic resonance technologies; a five-stage progressive identification algorithm is constructed, and systematic identification is realized by combining a confidence evaluation system and a fluorine-containing interference correction technology; establishing a structural integrity verification and purity quantitative evaluation standard, and outputting a standardized identification report; a method applicability database is established through multi-type fluorine-containing environment verification and process condition adaptability testing. The method effectively solves the problem of accurate identification of triphenyl phosphate in a complex fluorine-containing matrix, and realizes effective removal of interference components such as light gas, hydrofluorocarbon, perfluorinated compounds and the like.

The present invention relates to the technical field of computer-aided drug design, and in particular to a method and system for calculating the solvation free energy of drug molecules. The present invention evaluates the solute-solvent interaction at the atomic level by calculating the non-bonded interaction between each solute atom and a water molecule. To increase the calculation speed, an outwardly extending water solvent layer is constructed outside the solute molecule. The solvation free energy of the solute molecule is predicted by calculating the interaction energy between each atom in the solute molecule and the solvent layer, thereby realizing accurate simulation of the free energy of the dissolution process of the drug molecule.

The present invention discloses a method for preparing furfural, which includes: under the action of a heteropolyacid-based phase transfer catalyst, an intramolecular dehydration reaction occurs for xylose-based carbohydrates in a ternary two-phase reaction medium composed of a low-boiling organic solvent, a protic solvent, and an ionic organic ammonium chloride. The catalyst used in the present invention has the property of phase transfer, that is, its solubility in the reaction medium increases at high temperature, and it catalyzes the dehydration of xylose in the form of a liquid acid; after the reaction, the solubility decreases and it precipitates in the form of a solid, which is convenient for the recovery and separation of the catalyst, and largely solves the problems of low efficiency of solid acid catalysts and difficult separation of liquid acid catalysts. And an advanced reaction medium is coupled to increase the solubility of xylose-based carbohydrates and the solvation effect on xylose. Through the optimization of the catalyst and the reaction medium, the reaction performance of the reaction system is effectively improved.

The present invention provides a compound represented by formula (I) or a pharmaceutically acceptable salt, isomer, isotope compound or solvate of the compound represented by formula (I). The present invention also provides a lipid nanoparticle comprising the compound represented by formula I or the pharmaceutically acceptable salt, isomer, isotope compound or solvate of the compound represented by formula I. The lipid nanoparticle can be used for nucleic acid delivery and has high organ targeting efficiency.

Provided in the present application are a cyclic quaternary ammonium salt compound, and a preparation method therefor and the use thereof. Further provided are the cyclic quaternary ammonium salt compound as represented by general formula (I), or an isomer or a solvate thereof and a composition thereof and the use thereof in the preparation of anesthetic or analgesic drugs. Each substituent in the general formula (I) is the same as that defined in the description.

The invention belongs to the technical field of electrochemical energy storage, and discloses a weak-solvation non-aqueous electrolyte as well as a preparation method and application thereof. According to the weak solvation non-aqueous electrolyte, 1-methylimidazole is used as a solvent, and zinc bis (trifluoromethane sulfonimide) is used as a soluble salt. Zn < 2 + > forms a solvation structure of Zn (EMI) 4.99 (TFSI) 1.01 in the electrolyte. Along with the progress of an electrochemical reaction process, TFSIanions are preferentially reduced and decomposed, and an organic-inorganic hybrid double-layer SEI film rich in inorganic components such as ZnF2, ZnS and ZnNx is formed on the surface of a zinc negative electrode, so that the problems of hydrogen evolution side reaction and zinc dendrite existing in an aqueous electrolyte are effectively avoided, and efficient and reversible deposition / stripping of Zn < 2 + > is realized. The zinc ion battery using the electrolyte shows ultra-long cycle life, ultra-low overpotential, high coulombic efficiency and wide temperature adaptability, and a new solution is provided for practical application of the zinc ion battery.

Provided is a low-molecular compound or a salt thereof, or a solvate thereof which has the ability to activate Nrf2.The present invention provides a compound represented by the formula (1) or a salt thereof, or a solvate thereof, wherein Xa1 is CRa1 or N, Xa3 is CRa3 or N, Ra1, Ra2 and Ra3 are each independently selected from the group consisting of hydrogen, halogen and C1-C6 alkoxy, Xb1, Xb2 and Xb3 are each independently selected from the group consisting of CH2, O, NH, S and C═O, Y is C6-C10 aryl optionally having a substituent or 5- to 10-membered heteroaryl optionally having a substituent, and Z is C6-C10 aryl optionally having a substituent, 5- to 10-membered heteroaryl optionally having a substituent or C1-C6 alkyl optionally having a substituent.

The solvated metal particle-coating system includes a metal additive and a polar outer-sphere electron transferring solvent. The metal additive is solvated in the polar outer-sphere electron transferring solvent. The polar outer-sphere electron transferring solvent may include liquid ammonia, methylamine, and / or hexamethylphosphoramide. The metal additive may include an alkali metal and / or an alkaline earth metal. The solvated metal additive within the polar outer-sphere electron transferring solvent may be used to coat a metal particle and / or a metalloid particle as a layer. As the polar outer-sphere electron transferring solvent evaporates, the solvated metal additive is coupled to the metal particle and / or the metalloid particle.

The present application belongs to the field of gel polymer electrolyte, and particularly relates to a preparation method of a gel polymer electrolyte containing dynamic side chains and application thereof. + The strong polar groups (such as cyano, fluorine) in the dynamic side chains can adjust the ion-dipole interaction between the functional groups in the polymer and the nearby Li + , reorganize the solvation structure of Li + , improve the Li + desolvation process, and effectively promote the desolvation of Li + , accelerate the polysulfide conversion kinetics, and significantly improve the capacity and cycle stability of lithium-sulfur batteries in the environment of 0-25℃. The present application belongs to the field of gel polymer electrolyte, and particularly relates to a preparation method of a gel polymer electrolyte containing dynamic side chains and application thereof. + The strong polar groups (such as cyano, fluorine) in the dynamic side chains can adjust the ion-dipole interaction between the functional groups in the polymer and the nearby Li + , reorganize the solvation structure of Li + , improve the Li + desolvation process, and effectively promote the desolvation of Li + , accelerate the polysulfide conversion kinetics, and significantly improve the capacity and cycle stability of lithium-sulfur batteries in the environment of 0-25℃.

The present application relates to the technical field of gas purification and separation, and discloses a selective separation material for carbon dioxide and hydrogen sulfide, which is prepared from 15-25 parts of a hindered hydrazine salt active component, 5-15 parts of a dielectric regulation dissociation agent, 1-5 parts of a proton transfer agent and 55-79 parts of an inert poor water solvent, and preparation is performed by using a step-by-step strategy of pre-solvent activation, dissolution assistance and homogeneous complexing. The present application solves the problems of low solubility of a high-concentration hindered hydrazine salt in a poor water organic solvent and shielding of active sites by introducing a high-dielectric-constant regulating agent to construct a solvent separation ion pair environment. By using the synergistic effect of the large steric hindrance effect of a hindered hydrazine group and a poor water environment, carbon dioxide chemical absorption is strongly inhibited in thermodynamics and kinetics, while the high-efficiency proton transfer and capture capacity for hydrogen sulfide is retained. The material has a very high selectivity factor, excellent hydrogen sulfide absorption capacity and low regeneration energy consumption.

A continuous process for preparing a compound of Formula (III), or a salt and / or solvate thereof, includes forming a first reaction stream comprising a compound of Formula (I) dissolved in an alcohol; flowing the reaction stream from step (a) through a continuous flow reactor at a temperature of about 100 °C to about 160 °C and at a flow rate of about 0.2 mL / min to about 5 mL / min; contacting the reaction stream from step (b) with a second reaction stream comprising a hydrazine source to form a combined reaction stream; and (d) flowing the combined reaction stream from step (c) through a continuous flow reactor at a temperature of about 100 °C to about 160 °C and at a flow rate of about 0.2 mL / min to about 5 mL / min.

The invention discloses a preparation method of 3-quinuclidinone hydrochloride, which comprises the following steps: carrying out temperature control reaction on 4-picolinic acid and chloroacetic acid under alkaline water conditions to obtain an aqueous solution of a compound a, and directly entering the next reaction without post-treatment after the reaction is finished; adding a reducing agent alkaline water system into the aqueous solution of the compound a, controlling the temperature to react, controlling the temperature to adjust the pH value to 5-5.5 after the reaction is finished, extracting with n-butyl alcohol, and drying to obtain an n-butyl alcohol solution of a compound b, and directly entering the next reaction step; wherein the reducing agent is one of sodium borohydride and potassium borohydride; dropwise adding thionyl chloride into an n-butyl alcohol solution of the compound b, controlling the temperature to react after dropwise adding is ended, and concentrating to remove the solvent and unreacted thionyl chloride after the reaction is ended, so as to obtain a compound c; carrying out Dieckmann condensation reaction on the compound c at controlled temperature under the condition of organic alkali by using toluene as a solvent, carrying out hydrochloric acid quenching reaction after the reaction is finished, and directly carrying out next-step reaction after extracting and removing impurities from a water phase containing a hydrochloride solution of a compound d by using toluene; and carrying out a decarboxylation reaction on the compound d in a hydrochloric acid aqueous solution at controlled temperature, after the reaction is finished, adjusting the pH value to 10-13, extracting, and salifying to obtain a target compound TM, namely 3-quinuclidinone hydrochloride. The preparation method of 3-quinuclidinone hydrochloride provided by the invention has the advantages of economical and easily available raw materials, mild reaction conditions, efficient reaction, simple operation and low cost, and is suitable for industrial application.

1. A compound of formula (I): [MCL-1 ligand site]-[linker]-[ligase ligand site] (I), or a salt, solvate, hydrate, isomer, or prodrug thereof, wherein [MCL-1 ligand site] is a compound of formula (A), or [MCL-1 ligand site] is a compound of formula (A1), (A2), (A3), or (A4), and use thereof in the treatment of cancer. [Formula 1] JPEG2025540970000791.jpg126170

The present invention relates to liquid injectable compositions of lurbinectedin or pharmaceutical acceptable salts, hydrates, solvates, polymorphs, and mixtures thereof. More particularly, the present invention relates to liquid injectable compositions of lurbinectedin which are ready-to-dilute comprising of suitable solvent system.

Disclosed herein are salt and solvate forms of. (1S,3′R,6′R,7′S,8′E,11′S,12′R)-6-chloro-7′-methoxy-11′,12′-dimethyl-3,4-dihydro-2H,15′H-spiro[naphthalene-1,22′-[20]oxa[13]thia[1,14]diazatetracyclo[14.7.2.03,6.019,24]pentacosa[8,16,18,24]tetraen]-15′-one 13′,13′-dioxide (AMG 176):such as crystalline salt and solvate forms thereof. Also disclosed are methods of making the salt and solvate forms, and methods of treating diseases and disorders with the salt and solvate forms.

The invention belongs to the field of natural plant extraction, and particularly relates to a method for extracting volatile oil from pepper. The method comprises the following steps: pulverizing a pepper raw material to obtain pepper powder, protecting an active component and modified maltodextrin, mixing, soaking the pepper powder in an obtained efficient leaching suspension, ultrasonically crushing the soaked mixture, and carrying out primary extraction to obtain primary extracted oil with obviously improved purity; the preparation method comprises the following steps: mixing a composite solvent formed through non-covalent interaction and combination with primarily extracted oil, filtering, carrying out molecular distillation on the obtained permeate, reducing the boiling point of an active ingredient by the composite solvent through a solvation effect, reducing thermal degradation, and remarkably improving the purity of the active ingredient while retaining the flavor through non-covalent pre-assembly-molecular distillation synergy. Light-phase fractions are collected after molecular distillation, and the prepared pepper volatile oil is high in active ingredient content, good in flavor retention, few in impurities and pure in color.

To provide a detection reagent hardly causing noise due to generation of nonspecific fluorescence, and capable of detecting sialidase with higher accuracy.SOLUTION: The present invention relates to a compound represented by formula (I) or a salt thereof, or a solvate thereof. In the formula (I), R1 represents a halogen atom, and R2 represents an alkyl group having 5 to 11 carbon atoms or a hydrocarbyl group having 5 to 11 carbon atoms and having one or more unsaturated bonds. ] SELECTED DRAWING: None

The present invention relates to a production method and a production device for a quartz glass ingot with a low coefficient of thermal expansion, belonging to the technical field of the production of quartz glass with a low coefficient of thermal expansion. In the present invention, concentrated hydrochloric acid is used as a solvent, and SiCl4 and TiCl4 are used as solutes to prepare a mixed raw material solution; due to the potential solvation effect, silicon atoms and doped atoms are uniformly dispersed in the mixed raw material solution in an ionic state. Thereby, the problem that the existing preparation process is difficult to accurately control the titanium content and cannot maintain its consistency during the production process, resulting in fluctuations in the distribution of doped elements in the quartz block and exacerbating the instability of the properties of the quartz material, is solved. In the present invention, the fluctuation range of the doping material can be reduced by 67%; the fluctuation range of the coefficient of thermal expansion is reduced by 31%; it has a positive significance for the preparation of a quartz glass ingot with a low coefficient of thermal expansion.

The invention relates to new modifications of abscisic acid, to liquid compositions of abscisic acid and to their use in agrochemical applications. The modifications and compositions of the invention contain abscisic acid in the form of a solvate with at least one N-alkyl pyrrolidone, wherein the N-alkyl group has 3 to 6 carbon atoms. These solvates enable formulations with high concentrations of abscisic acid.

A cocrystal having the formula LiX·aM, or a solvate or hydrate thereof, wherein X is a conjugate base of an organic acid, M is a neutral organic molecule, and a is from 0.5 to 4, pharmaceutical compositions comprising such cocrystals, cocrystal solvates, or cocrystal hydrates, and methods of preparing such cocrystals, cocrystal solvates, or cocrystal hydrates, and such pharmaceutical compositions.

The present invention relates to processes for the preparation of reslitrast and intermediate compounds thereof. In particular, the present invention relates to a process for the synthesis of reslitrast, key intermediates for the synthesis of reslitrast, solvates thereof and a process for the hydrolysis of reslitrast under basic conditions.

The present invention relates to a method for purifying (PU) at least one aqueous medium based on at least one C-glycoside derivative corresponding to formula (I) (preferably corresponding to formula (I') or (I''), and optical or geometric isomers thereof, and / or solvates (e.g., hydrates) thereof, and at least one salt, comprising at least one step of electrodialysis (PU1) of the aqueous medium. The present invention also relates to a method for preparing (PR) at least one C-glycoside derivative as described herein, comprising at least one step of electrodialysis (PU) of at least one aqueous medium containing at least the C-glycoside derivative and at least one salt. JPEG2026518301000030.jpg41170