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33 results about "Single Crystal Diffraction" patented technology

Single-crystal diffraction is also used in the pharmaceutical industry, due to recent problems with polymorphs. The major factors affecting the quality of single-crystal structures are the crystal's size and regularity; recrystallization is a commonly used technique to

Co-based two-dimensional coordination polymer electrocatalyst as well as preparation method and application thereof

PendingCN120099563AElectrodesSingle Crystal DiffractionSingle crystal
The invention relates to the technical field of electrocatalysis development, in particular to a Co-based two-dimensional coordination polymer electrocatalyst and a preparation method and application thereof. The chemical formula of the Co-based two-dimensional coordination polymer electrocatalyst is {[Co3 (H2O) 4 (5-CMOIA) 2]. 10H2O} n, an X-ray single crystal diffraction test shows that the coordination polymer belongs to a triclinic system and a P-1 space group, and the minimum asymmetric unit of the coordination polymer contains three Co (II) ions, two deprotonated (5-CMOIA) 3-ligands, four coordination water molecules and ten crystal water molecules. The Co-based two-dimensional coordination polymer has relatively high specific surface area and rich active sites, is good in dispersity in a solution, and can be applied to the field of electrocatalysis.
Owner:SHAANXI SCI TECH UNIV

Compounds with anti-inflammatory effects in anacardia root and their preparation and application

ActiveCN117143098BAntipyreticAnalgesicsAnacyclus pyrethrumSingle crystal
The invention discloses a preparation method of four new skeleton alkaloid compounds with anti-inflammatory effect in the root of Anachymin and the use of the anti-inflammatory activity thereof. The four new skeleton alkaloid compounds are extracted from the root (root of Anachymin) of Roman pyrethrum (Anacyclus pyrethrum (L.) DC.) by using an organic solvent, and then separated by two or three methods of normal phase silica gel column chromatography, reverse phase silica gel column chromatography and semi-preparative high performance liquid chromatography to obtain eight new skeleton alkaloid monomer compounds, and the structures thereof are identified by high-resolution mass spectrometry, nuclear magnetic resonance spectroscopy and X-ray single crystal diffraction. The invention also provides the NO inhibition effect of these compounds.
Owner:XINJIANG TECH INST OF PHYSICS & CHEM CHINESE ACAD OF SCI

Polycyclic polyisopentenyl phloroglucinol compound as well as preparation method and application thereof

ActiveCN119504717Aprotect lung damageRelieves symptoms of skin lesionsAntipyreticAnalgesicsImmunosuppressive drugChromatographic separation
The invention discloses a polycyclic polyisopentenyl phloroglucinol compound as well as a preparation method and application thereof, and belongs to the technical field of biological medicines. The method comprises the following steps: by taking a dry overground part of hypericum monogynum as a raw material, performing percolation extraction and concentration to obtain an extract, suspending the extract in water to obtain a suspension, and performing extraction and concentration to obtain a petroleum ether part extract; the extract is taken and subjected to separation through a positive and negative phase silica gel column, MCI medium-pressure column chromatography and Sephadex LH-20 gel column chromatography and purification through high performance liquid chromatography, the polycyclic polyisopentenyl phloroglucinol compound is prepared, and the structure and configuration of the compound are determined by means of a spectrum analysis technology, quantum chemistry calculation, X-ray single crystal diffraction and the like. The compound can inhibit TNF-alpha protein to play an immunosuppressive role, and can be used as an immunosuppressive drug.
Owner:HUBEI SHIZHEN LABORATORY

Preparation and application of indoline-2-ketone compound derivative

Cell parameters of the crystal compound are as follows: diffraction data are collected in an omega-theta scanning mode by using MoK alpha rays monochromatized by a graphite monochromator on an Oxford X-ray single crystal diffractometer at the temperature of 273 k, and the crystal compound is characterized in that the crystal belongs to a triclinic system, P-1; the cell parameters are as follows: alpha is equal to 79.857 (3) degrees; beta is equal to 87.082 (3) degrees; gamma is equal to 87.829 (3) degrees; the synthesis method of the crystal chlorine compound (I) comprises the following steps: weighing 0.02 35 g of benzophenone hydrazone and 0.6720 g of 1.0 g of 7-chloroisatin and acetic acid ketone monohydrate complex, putting into a 150mL flask, adding 100.0 mL of chlorobenzene as a solvent, stirring at room temperature for 48 hours, carrying out column chromatography separation, eluting with petroleum ether / dichloromethane (1 / 1), and carrying out vacuum drying to obtain the crystal chlorine compound (I). And naturally volatilizing the collected front component points to obtain the target crystal compound I, namely the 6-bromo-3-diphenylmethylene indoline-2-ketone crystal. The application of the crystal chlorine compound (I) is that the crystal chlorine compound (I) has a relatively strong inhibition effect on epidermophyton flocculent, and the IC50 value of the crystal chlorine compound (I) is 0.063 + / -0.008.
Owner:HEFEI UNIV OF TECH

A crystallization plate suitable for in situ x-ray diffraction of biomolecules

ActiveCN115541637BMaterial analysis using wave/particle radiationSingle Crystal DiffractionSingle crystal
This invention provides a crystallization plate suitable for in-situ X-ray diffraction of biomolecules, comprising: a body and multiple crystallization units formed within the body; each crystallization unit includes a through-hole and a frustum-shaped sample slot support within the through-hole; the lower bottom surface of the frustum-shaped sample slot support is connected to the lower bottom surface of the through-hole, and the upper bottom surface of the frustum-shaped sample slot support is located between the upper top surface and the lower bottom surface of the through-hole; the side surface of the frustum-shaped sample slot support and the side surface of the through-hole form a crystallization buffer bath. The crystallization plate of this invention is applicable to in-situ testing of biomolecular crystals, and features simple operation, good compatibility, high efficiency, and low cost. It can greatly facilitate the rapid collection of single-crystal diffraction data or drug screening at synchrotron radiation crystallography beamlines under room temperature in-situ conditions.
Owner:SHANGHAI ADVANCED RES INST CHINESE ACADEMY OF SCI

A c17 sesquiterpene alkaloid, methods of preparation and uses

The application relates to the technical field of plant chemistry and active ingredient heterocyclic compounds of traditional Chinese medicine, and discloses a C17 sesquiterpene alkaloid, a preparation method and application, wherein the C17 sesquiterpene alkaloid and a pharmaceutically acceptable salt thereof are shown as formula I; the C17 sesquiterpene alkaloid of formula I is separated from an ethanol extract n-butanol extraction phase of Dendrobium huoshanense stems through three-step operations of silica gel column chromatography, acid solution and base precipitation and recrystallization; the structure of the compound is determined through nuclear magnetic resonance, high-resolution mass spectrometry and single crystal diffraction analysis; experiments show that the C17 sesquiterpene alkaloid can effectively inhibit the survival and proliferation of A549 lung cancer cells, has good anti-lung cancer activity, and can be used for preparing anti-lung cancer drugs.
Owner:WEST ANHUI UNIV

Pentacyclic triterpene acylhydrazone compound as well as preparation method and application thereof

PendingCN121202950AOrganic active ingredientsDigestive systemCarboxyl radicalSingle Crystal Diffraction
The invention discloses a pentacyclic triterpene acylhydrazone compound as well as a preparation method and application thereof. A series of oleanolic acid derivatives are synthesized by carrying out structural modification on carboxyl at C28 site of oleanolic acid, structural confirmation is carried out by using 1H NMR, 13C NMR, HRMS and X-ray single crystal diffraction, and the inhibition effect of the pentacyclic triterpenoid acylhydrazone compound on the activity of tumor cells A549, AGS and K562 is evaluated by taking cis-platinum as positive control and adopting a CCK-8 method. Results show that the inhibition effect of the derivatives 5, 6, 9, 10, 16, 21, 27 and 28 on tumor cells is superior to that of cis-platinum. Reference is provided for research of oleanolic acid derivatives and discovery of anti-tumor seedling compounds.
Owner:GUIYANG COLLEGE OF TRADITIONAL CHINESE MEDICINE

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 2โ€‘ 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

Chain-shaped silver complex as well as preparation method and application thereof

The invention discloses a chain-shaped silver complex as well as a preparation method and application thereof. The invention relates to a synthesis method of a chain-like silver complex, which comprises the following steps: carrying out condensation reaction on pyridoxal and p-methylbenzenesulfonyl hydrazide to generate a pyridoxal condensed p-methylbenzenesulfonyl hydrazide ligand, reacting the ligand with silver nitrate, slowly volatilizing the reaction liquid for 3-5 days, and separating out a yellow crystal of the chain-like silver complex. The crystal is subjected to structural analysis by adopting an X-ray single crystal diffraction technology, and the result shows that the crystal is a novel chain-shaped coordination polymer. The chain-shaped silver complex shows remarkable antibacterial activity on staphylococcus aureus, pseudomonas aeruginosa, methicillin-resistant staphylococcus aureus and multi-drug-resistant pseudomonas aeruginosa, and the in-vitro antibacterial effect of the chain-shaped silver complex is superior to that of silver nitrate, a ligand and a methicillin monomer; the application potential of the compound serving as an efficient antibacterial agent in the aspect of replacing or supplementing existing anti-infection drugs is shown. The structure of a pharmaceutically acceptable compound of the chain-shaped silver complex is shown as a formula (I) in the specification.
Owner:PINGDINGSHAN UNIVERSITY

Sample holder for micro-area variable-angle grazing incidence wide-angle scattering test

ActiveCN223551644UMaterial analysis using wave/particle radiationSingle Crystal DiffractionAngle of incidence
The utility model relates to a sample holder for a micro-area variable-angle grazing incidence wide-angle scattering test. According to the scheme, a table top used for placing a test material, a Z-axis height reference position and a height adjusting driver used for driving the sample frame to move back and forth along a Z axis are arranged on the sample frame; the radian adjusting driver is used for driving the sample holder to do curve swinging motion along the light path direction and in the direction perpendicular to the light path; the connecting part is matched with a sample table of the single crystal diffractometer; wherein the radian adjusting driver is used for driving the table board to swing, so that the incident angle is controlled. The defects of an existing wide-angle scattering test technology based on single crystal XRD in the aspect of incident angle and height control can be overcome.
Owner:WESTLAKE UNIV

Preparation method of thiosemicarbazone binuclear gallium coordination compound

PendingCN119775182AOrganic chemistrySingle Crystal DiffractionThiourea
The invention discloses a preparation method of a thiosemicarbazone binuclear gallium coordination compound, which is mild in condition and easy to operate, and comprises the following steps: firstly, carrying out condensation reaction on a thiosemicarbazone compound and 2-methyl-1, 3-cyclohexanedione to generate a thiosemicarbazone product; and oxidizing reactive hydrogen, adding a gallium nitrate solution to generate a thiosemicarbazone binuclear gallium coordination compound, and determining the thiosemicarbazone binuclear gallium coordination compound as the metal organic MOFs material through an X-ray single crystal diffraction method and a powder X-ray diffraction (PXRD) test.
Owner:YUNNAN YUNKE CHARACTERISTIC PLANT EXTRACTION LABORATORY CO LTD +1

Isoprenylated phenolic acid drupanin, single crystal and separation and purification method and application thereof

PendingCN122627902ASide effectEfficacy
The application discloses a kind of isoprenylated phenolic acid Drupanin, single crystal and its separation and purification method and application.The application adopts the combined purification process of dynamic axial column chromatography and preparative chromatography, realizes the efficient enrichment and accurate separation of Drupanin component in propolis;And for the first time, the complete three-dimensional spatial structure of Drupanin is determined by X-ray single crystal diffraction technology;Through in-vitro and in-vivo animal experiments, it is proved that the Drupanin prepared by the application can significantly improve neuroinflammation, oxidative stress and lipid metabolism disorder, and can effectively repair cognitive dysfunction, relieve depression and anxiety symptoms, has the advantages of multi-target, low side effect and significant efficacy, can be widely used in improving cognitive impairment, preventing or treating depression, anxiety and other nervous system diseases Functional products and innovative drug research and development, and has good clinical application value.
Owner:GUANGDONG PHARMA UNIV

Piperine dimer amide alkaloid synthesized based on visible light catalysis as well as preparation method and anti-psoriasis application of piperine dimer amide alkaloid

The invention discloses a piperine-based pseudo-natural dimer amide alkaloid compound 1 and a piperine-based pseudo-natural dimer amide alkaloid compound 2 as well as a preparation method and medical application thereof. Dimerization of piperine is realized through a visible light catalytic reaction system Ir (ppy) 3 / 465nm LED, and optically pure enantiomers 1a / 1b and 2a / 2b are obtained through acetonitrile-water system preparative HPLC separation and purification in combination with a chiral chromatographic resolution technology. HRESIMS, multi-dimensional NMR and X-single crystal diffraction confirm that the structure of the compound has a unique cyclohexene skeleton and a bis-piperidyl structure. A biological activity research shows that the target compound has a remarkable inhibition effect on LPS-induced RAW264.7 macrophage NO release, the compound 1 shows an excellent curative effect in an imiquimod-induced psoriasis mouse model, and the effect of the compound 1 is superior to that of a positive drug benvitimod. The invention provides a green and efficient photocatalytic synthesis method, and the obtained compound provides candidate molecules for developing multi-target anti-psoriasis drugs.
Owner:SHENYANG PHARMA UNIV

Monolavir crystal form VII and preparation method thereof

ActiveCN116804038BSugar derivativesSugar derivatives preparationSingle Crystal DiffractionSolvent evaporation
The present invention discloses Monovir Form VII and a preparation method thereof, and belongs to the field of compound crystal forms. The X-ray powder diffraction spectrum of Monovir Form VII measured using Cu-Kฮฑ rays is shown in Figure 1. The Monovir Form VII is prepared by adding isobutanol to Monovir, dissolving it, and then using a cooling crystallization method or a solvent evaporation method to obtain Monovir Form VII crystals. The preparation process is simple, and the obtained crystal form has high purity. It is determined to be a new crystal form, Form VII, through the characterization of XRPD, X-ray single crystal diffraction, DSC, and TG.
Owner:SHANDONG UNIV

A polycyclic polyisopentenyl phloroglucinol compound and its preparation method and application

The present invention discloses a polycyclic polyisopentenyl phloroglucinol compound and its preparation method and application, belonging to the field of biomedicine technology. The dried aerial part of Hypericum perforatum is used as raw material, and an extract is obtained after diafiltration extraction and concentration, and the extract is suspended in water to obtain a suspension, and a petroleum ether extract is obtained after extraction and concentration; the extract is taken and subjected to positive and reverse phase silica gel column, MCI medium pressure column chromatography, Sephadex LH-20 gel column chromatography separation and high performance liquid chromatography purification to obtain a polycyclic polyisopentenyl phloroglucinol compound, and the structure and configuration of the compound are determined by means of spectral analysis technology, quantum chemical calculation and X-ray single crystal diffraction. This type of compound can inhibit TNF-ฮฑ protein from exerting an immunosuppressive effect and has the use as an immunosuppressive drug.
Owner:HUBEI SHIZHEN LABORATORY

X-ray single crystal diffraction sample tube device and method of use

This invention provides an X-ray single-crystal diffraction sample sealing device and its usage method. The X-ray single-crystal diffraction sample sealing device includes a base, a sampling tube, and a sealing valve. The base has a chamber extending through its bottom. The sampling tube is airtightly connected to the top wall of the chamber, and its bottom end communicates with the top end of the chamber. The sealing valve is threaded into the chamber and has an internal channel connecting the top and bottom ends of the chamber. A sealing element is provided between the top surface of the sealing valve and the top wall of the chamber, and the sealing element cooperates with the sealing valve to seal the bottom end of the sampling tube. Compared with the prior art, this invention can achieve sealed transfer of air-sensitive samples and has the advantages of simple operation and reusability.
Owner:INST OF CHEM CHINESE ACAD OF SCI

Vortioxetine impurities, processes for their preparation and uses thereof

The application discloses a vortioxetine impurity, a preparation method and application thereof, and adopts vortioxetine or a pharmaceutically acceptable salt form thereof as raw material, the raw material is easy to obtain and simple to operate, and the reaction condition is mild. The synthesized impurity is characterized by nuclear magnetic resonance, high-resolution mass spectrometry and X-ray single crystal diffraction, and liver toxicity research shows that the compound disclosed by the application has important significance for researching adverse reactions of vortioxetine. The control sample obtained by the method provided by the application can be used for qualitative and quantitative analysis of the vortioxetine impurity, so that the drug safety of vortioxetine is improved.
Owner:JIANGSU OCEAN UNIV

A process for the synthesis of R-10-hydroxy-10-(1H-indol-3-yl)-9-phenanthrenone compounds

ActiveCN119285525BOrganic chemistry methodsSingle Crystal DiffractionOrganic solvent
The application provides a method for synthesizing an R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound, which comprises the following steps: mixing a 9,10-phenanthrenequinone compound shown in formula 2, an indole compound shown in formula 3 and a chiral catalyst in an organic solvent, and performing reaction to obtain an R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound shown in formula 4. The application can obtain the R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound as a main product, the enantiomeric excess value of which is up to 97%, the yield is good (75%-95%), and the absolute configuration of the target compound is determined as R through X-single crystal diffraction experiment. It is found through cell experiment that a series of synthesized compounds have good antitumor activity, and the application provides a basis for the research of chiral drugs.
Owner:JINLIN MEDICAL COLLEGE

Dextral amphetamine sulfate single crystal, enantiomer single crystal thereof, preparation method and application

PendingCN119707708AAmino compound purification/separationMaterial analysis using radiation diffractionAmphetamine SulfateSingle Crystal Diffraction
The invention provides a dextro-amphetamine sulfate single crystal, an enantiomer single crystal thereof, a preparation method and application, and belongs to the technical field of medicines. The preparation method comprises the following steps: (1) dissolving dextro-amphetamine sulfate or dextro-amphetamine sulfate enantiomer levo-amphetamine sulfate in an organic solvent, filtering, and sealing filtrate in a container; and (2) opening a hole in a container for sealing the filtrate, putting the container into another container filled with a poor solvent, sealing, and culturing in a dark place to obtain the dextro-amphetamine sulfate single crystal or the dextro-amphetamine sulfate enantiomer single crystal. The preparation method is simple and efficient, the obtained dextro-amphetamine sulfate single crystal and the enantiomer single crystal thereof are good in stability, particles in the single crystal are uniformly distributed, the dextro-amphetamine sulfate single crystal and the enantiomer single crystal thereof can be used as samples for X-ray single crystal diffraction detection, absolute configurations of the dextro-amphetamine sulfate and the enantiomer single crystal thereof are determined, and the application prospect is wide. The method is used for quality control of dextro-amphetamine sulfate.
Owner:SICHUAN CREDIT CHEMWERTH PHARMA CO LTD

Synthesis method of azabicyclo [3.2. 1] octyl-2-ene derivative

The invention relates to a synthetic method of an azabicyclo [3.2. 1] octyl-2-ene derivative, and belongs to the technical field of organic synthesis. The synthetic method of the azabicyclo [3.2. 1] octyl-2-ene derivative comprises the following steps: S1, in an inert atmosphere and at a low temperature, carrying out an addition reaction on N-Boc-nortropinone as a raw material and an aryl lithium reagent to obtain an intermediate IM1; s2, removing a Boc protecting group under an acidic condition to obtain an intermediate IM2; and S3, salifying the intermediate IM2 and chiral mandelic acid, performing fractional crystallization and alkali dissociation to obtain a target enantiomer with high optical purity, culturing an S-mandelate single crystal of a compound (1S, 5R)-(+)-3-(4-chlorphenyl)-8-azabicyclo [3.2. 1] oct-2-ene, and determining the absolute configuration of the compound through single crystal diffraction. The synthesis method disclosed by the invention has the characteristics of simple reaction operation in each step, mild conditions, high yield, good repeatability and suitability for industrial large-scale production.
Owner:ACCELA CHEMBIO CO LTD

A Manganese-Based Pyridine Fluorescent Crystal Material, Preparation Method and Application

The present invention belongs to the technical field of fluorescent crystal materials, and discloses a manganese-based pyridine fluorescent crystal material, a preparation method and an application. At room temperature, MnCl2ยท4H2O, 2-dimethylaminopyridine, and 4-dimethylaminopyridine are used as raw materials, and water, methanol, acetonitrile, etc. are used as solvents; the solvent evaporation method is adopted to synthesize 4 examples of manganese-based pyridine organic-inorganic hybrid compounds; the properties of compounds 1-4 are systematically detected by methods such as infrared testing, X-single crystal diffraction, thermogravimetric analysis, dielectric testing, and fluorescence testing. Compounds 1-3 all belong to the monoclinic system, and the space group is C2 / c. Compounds 2-4 all belong to the triclinic system, and the space group is P-1. Compounds 1-4 all start to decompose at about 376K, proving to have good thermal stability. In the temperature-rising dielectric test, compounds 1-4 start to show dielectric anomalies at 220K, 220K, 220K, and 237K respectively.
Owner:XINJIANG AGRI UNIV

Single-energy X-ray radiation device based on Si single crystal diffraction and generation method

PendingCN119997327ARadiation measurementX-ray apparatusRotary stageSingle Crystal Diffraction
The invention relates to a single-energy X-ray radiation device based on Si single crystal diffraction and a generation method, belongs to the technical field of space optics, and solves the technical problems that an existing single-energy radiation source is single in energy point and complex in device structure. The single-energy X-ray radiation device comprises an X-ray source, a first slit regulator, a second slit regulator, a third slit regulator, a fourth slit regulator, an X-ray detector, a lower rotary table, an upper rotary table, a sample placing table, an X-ray source guide rail, a detector guide rail, an optical platform, a Si single crystal, an X-ray source placing table, an expansion table and a support. The single-energy X-ray generation method comprises the steps of installing the Si single crystal, setting the angle range and the rotation step length of the lower rotary table and the upper rotary table, and testing the X-ray energy spectrum. The device is used for generating single-energy X-rays and calibrating the X-ray detector on the ground.
Owner:XIAN INST OF OPTICS & PRECISION MECHANICS CHINESE ACAD OF SCI

Application of pyrazole ring trinuclear silver (I) complex in organic molecular structure determination

The application discloses application of a pyrazole ring trinuclear silver (I) complex in organic molecular structure determination, in particular, application of a 3,5-bistrifluoromethyl pyrazole ring trinuclear silver (I) complex in organic molecular structure determination, and specifically comprises the following steps: synthesizing the pyrazole ring trinuclear silver (I) complex; mixing the pyrazole ring trinuclear silver (I) complex with a sample to be measured, obtaining a co-crystal of the pyrazole ring trinuclear silver (I) complex and the organic molecule to be measured and performing single crystal diffraction analysis, collecting crystal data of the co-crystal; analyzing the crystal structure according to diffraction data of the co-crystal, so as to obtain a chemical structure and a stereo configuration of the organic molecule to be measured. The application can be used for molecular structure determination of a series of non-crystalline compounds and mixture samples.
Owner:JINAN UNIVERSITY

Integrated Data Collaborative Acquisition Method, Device and Readable Storage Medium for Small-Angle Scattering and Wide-Angle Scattering Based on a Single Crystal Diffractometer

ActiveCN119936087BMaterial analysis using radiation diffractionAngle of incidenceSingle Crystal Diffraction
The present invention relates to an integrated data collaborative acquisition method, device and readable storage medium for small-angle scattering and wide-angle scattering based on a single-crystal diffractometer. The method realizes vertical fixation of the sample and high-precision control of the incident angle by designing two improved sample holders (the first sample holder is for the grazing incidence mode, and the second sample holder is for the transmission mode) to replace the magnetic head structure of the original single-crystal diffractometer. The first sample holder adopts a structure of "fixed plate + vertical backrest + groove" to fix the sample through a rigid connecting piece; the second sample holder adopts a back plate with a detection hole to support the fixation of the substrate-free film. The present invention breaks through the limitation of the traditional test range, eliminates the signal splicing error, realizes the full-dimensional characterization of the material structure, and is applicable to the depth gradient analysis of thin films, free films and bulk samples.
Owner:WESTLAKE UNIV

A co(ii)-based photoelectrode crystalline material and a preparation method and application thereof

The present application relates to the field of catalysis technology, and particularly relates to a Co(II) based photoelectrode crystalline material, a preparation method and application thereof.The present application provides a Co(II) based photoelectrode crystalline material, a preparation method and application thereof, and a new type of cobalt-based metal hydrogen bond organic framework material is successfully prepared by using H3(5-COTDA) as an organic connecting unit through a solvothermal method.The crystal structure and phase purity of the compound are systematically analyzed and confirmed through X-ray single crystal diffraction, Fourier transform infrared spectroscopy and powder X-ray diffraction and other characterization methods.The photoelectric performance test results show that the Co(II) based photoelectrode crystalline material presents a typical n-type semiconductor behavior and exhibits good photoelectric catalytic activity.
Owner:SHAANXI SCI TECH UNIV

Rhein-nitrogen mustard compound and application thereof in preparation of anti-cancer drugs

The invention discloses a rhein-nitrogen mustard compound which is analyzed by X-ray single crystal diffraction, infrared spectrum, high-resolution mass spectrum and nuclear magnetic resonance spectrum structure and is a compound shown as a structural formula (I). Accordingly, the inventor also establishes a corresponding preparation method, namely the rhein is used as a main raw material and is subjected to esterification, acylation and hydrolysis reactions according to a reaction formula. In-vitro anticancer activity research shows that the rhein-nitrogen mustard compound has certain inhibitory activity and in-vitro anticancer activity on human lung cancer cells, human liver cancer cells, human breast cancer cells and human oral cancer cells, and has potential application value in research and development of anticancer drugs for human lung cancer, human liver cancer, human breast cancer and human oral cancer. In conclusion, the rhein-nitrogen mustard compound is good in anti-cancer activity, low in cost and simple in preparation method, and a new way is provided for developing new anti-cancer drugs.
Owner:GUANGXI INT ZHUANG MEDICINE HOSPITAL

A double diffractometer system for single crystal diffraction and in-situ crystal plate of a synchrotron radiation device and a single crystal diffraction detection method thereof

PendingCN122882497AIn situ crystallizationSingle Crystal Diffraction
The present application relates to a kind of for single crystal diffraction and in-situ crystal plate double diffractometer system of synchrotron radiation device and its single crystal diffraction detection method, system includes vertical diffractometer module, horizontal crystal plate diffractometer module, coaxial observation collimating module and bearing base, two kinds of diffraction module are installed in bearing base and is equipped with independent translation bearing respectively, can be moved to incident X ray optical path center alternately, coaxial observation collimating module is arranged on the incident light path upstream of two sets of module and is shared by two, incident X ray is irradiated to single crystal sample in vertical diffractometer module or horizontal crystal plate diffractometer module after passing through coaxial observation collimating module.The present application adopts double diffraction module integrated layout and shared optical assembly, solves the defects that traditional equipment cannot be compatible with two kinds of single crystal detection, needs to disassemble and reassemble when experiment is changed, optical path is recalibrated, hardware cost is high, and debugging is time-consuming, two kinds of diffraction experiments can be switched once optical path is calibrated, reduce optical hardware investment, shorten beamline debugging working hours.
Owner:SHANGHAI ADVANCED RES INST CHINESE ACADEMY OF SCI

Luteolin pharmaceutical co-crystal as well as preparation method and application thereof

The luteolin is low in bioavailability, and the luteolin is the same as metformin and has a wide effect but a weak effect, so that the clinical application of the luteolin and the metformin (except for reducing blood sugar) is limited. In order to improve the problem, the luteolin and metformin eutectic crystal is prepared in the invention. X-single crystal diffraction and FT-IR (Fourier transform infrared spectroscopy) show that luteolin and metformin are coupled into three-dimensional supramolecular lamellar crystals according to a molar ratio of 1: 1 through hydrogen bonds, DSC (differential scanning calorimetry) shows that the melting point of the three-dimensional supramolecular lamellar crystals is remarkably reduced, and DVS (differential scanning spectroscopy) shows that the three-dimensional supramolecular lamellar crystals have good wettability; compared with luteolin, the dissolution rate of the eutectic crystal is increased by more than 7 times, and the biological bioavailability is increased by more than 10 times; anticancer activity shows that luteolin and metformin have an obvious synergistic effect, and a ester reduction experiment shows that the eutectic crystal obviously improves oleic acid induced HepG2 cell lipid droplet accumulation. According to the invention, triple improvement of solubility, bioavailability and pharmacological activity is realized through co-crystallization, and an innovative solution is provided for clinical application of luteolin and development of metformin non-hypoglycemic indications.
Owner:CHONGQING MEDICAL UNIVERSITY

A method for preparing a photocatalytic polysubstituted indole compound

The application belongs to the technical field of organic chemistry, and particularly relates to a preparation method of photocatalytic polysubstituted indole compounds. 1 H NMR, 13 C NMR, HRMS, single crystal X-ray diffraction and other methods are used for characterization and confirmation. The method of the application is that, in the presence of a proton acid, 2-indole methanol is de- aromatized to form an imine cation intermediate, then the intermediate is reacted with alkyl radicals generated by hydrogen atom transfer (HAT) of alkane under the catalysis of tetrabutylammonium decatungstate (TBADT) to obtain 2,3-dialkyl substituted indole compounds I through isomerization. The method has the advantages of simple reaction, high efficiency, few side reactions, high product purity, easy separation and purification, mild conditions, wide application range of substrates, simple raw materials, low cost, applicability to large-scale preparation and good application prospect.
Owner:NANJING TECH UNIV

Diterpenoid compound in honeycomb as well as preparation method and application of diterpenoid compound

The invention discloses diterpenoid compounds in honeycomb and a preparation method and application thereof.The preparation method comprises the steps that the honeycomb is dried in the air and then ground into powder, extraction is conducted through an organic reagent, purification is further conducted through macroporous resin, sephadex, normal-phase silica gel, reverse-phase silica gel and other column chromatography methods, and the diterpenoid compounds are obtained. A monomeric compound is prepared through semi-preparative high performance liquid chromatography, and finally three diterpenoid compounds with novel structures are obtained through structural identification such as one-dimensional nuclear magnetism, two-dimensional nuclear magnetism, ECD and X-single crystal diffraction. The three diterpenoid compounds provided by the invention can inhibit the generation of nitric oxide in a cell inflammation model, and the IC50 of the compound 1 is superior to that of a positive drug indometacin. In addition, the compound 1 can down-regulate gene expression of inflammatory factors IL-1beta and IL-6, has an inhibition effect stronger than that of indomethacin with the same concentration, has remarkable anti-inflammatory activity, and can be applied to development of drugs for treating gouty arthritis.
Owner:THE FIRST AFFILIATED HOSPITAL OF JINAN UNIV