13 results about "Combinatorial synthesis" patented technology

Systems and methods for querying a combinatorial synthesis library comprising a plurality of compounds and representing a plurality of reaction types, where each reaction type maps to a plurality of reactants, and each reactant maps to a plurality of synthons, accepts a query in the form of a single graph into a molecular encoder model, thereby obtaining a query vector. The query vector is inputted into a reaction query generator model thereby obtaining a first reaction type and a first plurality of reactants. A synthon is determined for each reactant by inputting the reactant into a synthon query generator model. A set of synthons is therefore determined, each corresponding to a reactant in the first plurality of reactants. A molecular structure in the combinatorial synthesis library is identified that includes the set of synthons arranged in accordance with a synthesis rule associated with the first reaction type.

Preparation and application of organic ligands based on metal chain scaffolds and heavy atom effects to enhance metals, including their properties and applications. A three-dimensional Cd-MOF was synthesized by ingeniously combining organic phosphorescent ligands with metal ions. At room temperature, it exhibits enhanced blue photoluminescence performance, a phosphorescence lifetime of up to 124 ms, and an afterglow duration of up to three seconds. Furthermore, it displays multicolor luminescence characteristics ranging from blue to green to yellow, varying with excitation, time, and temperature. Based on these properties, Cd-MOF shows promising application prospects in areas such as multi-information encryption, display, and anti-counterfeiting, providing a possibility for developing novel MOF platforms for anti-counterfeiting and encryption.

Precursors for forming a plurality of multielement materials of different compositions can be deposited on different portions of a common substrate according to a combinatorial approach. The substrate can be subjected to a thermal shock, thereby converting the deposited precursors into separate multielement materials on the substrate. The thermal shock can be a temperature greater than or equal to 500° C. and a duration less than 60 seconds. In some embodiments, each multielement material can be tested with respect to an electrical property, a chemical property, or an optical property. Based on the results of the testing, a composition of a multielement material can be determined for use in a predetermined application, such as use as a catalyst, a plasmonic nanoparticle, an energy storage device, an optoelectronic device, a solid-state electrolyte, or an ion conductive membrane.

Systems and methods are provided for identifying compounds in a combinatorial synthesis library (CSL) having particular molecular properties. The CSL is accessed using an autoencoder comprising an encoder and a decoder. The encoder maps compounds in the CSL into latent codes in a learned latent space. The decoder retrieves molecular structures of the compounds using such codes. A policy selects a batch of latent codes, and identifies a plurality of compounds from the batch of latent codes using the decoder. Molecular properties of these compounds are determined, and a reward function value for each compound is determined using the molecular properties. A probability density under a target distribution is determined using the reward function values, in which latent codes are sampled from the CSL by the autoencoder with probabilities proportional to the harmonic reward function values. Policy parameters are updated using at least one difference between the probability density and the target distribution using an alpha-divergence based objective function.

The systems, devices, and methods described herein relate to methods for generating spatially barcoded surfaces using combinatorial synthesis techniques, and their use for analyzing the molecules (particularly, nucleic acid molecules) of biological cells disposed on such surfaces. The methods described herein can further be used to create spatially barcoded nucleic acid molecules. The spatial barcode can be a combination of at least three segments: two segments that identify the position of the array on the surface and a third segment that identifies the position of the barcode oligonucleotide or nucleic acid molecule to which it is attached within the array.

The invention provides a high-throughput PROTAC combined synthesis method based on a cellulose solid-phase carrier and a photolysis method, which specifically comprises the following steps: taking cellulose filter paper as a solid-phase carrier, carrying out amination modification on the solid-phase carrier, loading a photolysis chemical group, and carrying out combined connection of a PROTAC connecting chain, an E3 ubiquitin ligase ligand and a target head step by step to obtain the high-throughput PROTAC combined synthesis method based on the cellulose solid-phase carrier and the photolysis method. And finally, the array PROTAC molecular library is obtained through light splitting release. According to the method, the problems of strong acid cutting, poor stability, complex purification and the like in a traditional chemical cracking mode are solved, the synthesis flux and efficiency are remarkably improved, the operation is simple and convenient, the cost is low, and the rapid development of the PROTAC molecule discovery field is effectively promoted.

The invention relates to the technical field of organic synthesis, in particular to a preparation method of gem-difluoroolefin. The preparation method comprises the following steps: contacting a trifluoroacetic acid derivative with a compound R1-MgX1, and carrying out primary reaction to obtain an intermediate 1; contacting the intermediate 1 with a compound R2-MgX2, and carrying out a secondary reaction to obtain an intermediate 2; enabling the intermediate 2 to be in contact with a hydroxyl protective agent, and carrying out three-time reaction to obtain a compound as shown in a formula I; and contacting the compound as shown in the formula I with an azacyclo-phosphorus reagent for four times of reaction to obtain the gem-difluoroolefin as shown in a formula II. The preparation method has good universality, i.e., various gem-difluoroolefins can be synthesized under mild conditions through nitrogen heterocyclic phosphorus reagent mediation and module assembly (the combination of the trifluoroacetic acid derivative, two Grignard reagents and a hydroxyl protective agent), and the used raw materials (such as the trifluoroacetic acid derivative) are simple in structure, low in price and easy to obtain commercially. # imgabs0 #

This invention relates to the field of biotechnology, specifically to a biosynthetic method for the synthesis of daidzein precursors and daidzein based on daidzein catalysis. This invention synthesizes daidzein precursors glyceollidinⅠ (GD1) or glyceollidinⅡ (GD2) by co-expressing the genes AtPAL2, GmCHS8, GmCHR5, GmCHI1B1, GmIFS1, GmHID and AtMYB60, which are involved in daidzein synthesis, along with downstream daidzein genes GmI2'H, GmIFR, GmVR, GmPTS1, GmD6aH and GmG4DT, or GmI2'H, GmIFR, GmVR, GmPTS1, GmD6aH and GmG2DT, in *Nicotiana benthamiana* mediated by *Agrobacterium*. Furthermore, it co-expresses any one or a combination of several of the daidzein synthase genes GmGS1a, GmGS1b, GmGS2a, GmGS2b, GmGS3 / 7, and GmGS3e. This invention utilizes the Benedictine platform, based on daidzein, a key precursor in the biosynthesis of highly accumulated isoflavones, to reconstruct the biosynthetic pathways of the direct precursors of daidzein, GD1 and GD2. It elucidates the daidzein biosynthetic pathway, paving the way for heterologous daidzein biosynthesis and laying a scientific theoretical and technological foundation for the large-scale industrial production and medicinal function research of antibacterial daidzein.

The present disclosure relates to systems and methods for querying a combinatorial synthesis library comprising a plurality of compounds and representing a plurality of reaction types, wherein each reaction type maps to a plurality of reactants, and each reactant maps to a plurality of synthon, accepting a query to a molecular encoder model in the form of a single graph, thereby obtaining a query vector. The query vector is input into a reaction query generator model, thereby obtaining a first reaction type and a first plurality of reactants. Synthons for each reactant are determined by inputting the reactants into a synthon query generator model. A set of synthons is thus determined, each corresponding to a reactant in the first plurality of reactants. A molecular structure in a combinatorial synthesis library is identified, the combinatorial synthesis library comprising the set of synthons arranged according to synthesis rules related to the first reaction type.

Systems and methods for policy model training identify compounds that each have a value for a physical property in a specified range. A latent space encodes a combinatorial synthesis library as vectors. A target for the property is obtained. Responsive to inputting the target, a first cutoff, and a second cutoff into the policy model, an action vector is obtained. The vector is sampled to identify a plurality of latent space points. Each point is decoded to obtain a plurality of candidate compounds. A value for the property is determined for each of the candidates using their molecular structures. The parameters are updated through application of a loss function to each of the candidate compounds. The function includes a reward term that is determined by application of the target and first and second cutoffs to the value for the property for each candidate compound.

A new process for the synthesis of carbon nanomaterials by thermochemically reducing an oxygen-containing carbon source in the presence of a hydrogen extractant, an ionic salt and a solvent at ambient pressure and a starting temperature in the range of 50 DEG C to 150 DEG C. The carbon nanomaterial is selected from the group consisting of nanocrystalline carbon having a 1D structure, a 2D structure, or a 3D structure, graphite nanocarbon, N-doped graphite nanocarbon, amorphous carbon, graphene quantum dots, N-doped graphene quantum dots, and combinations thereof. The reaction time for synthesizing the carbon nanomaterial is not longer than 10 minutes.

Systems and methods for querying a combinatorial synthesis library comprising a plurality of compounds and representing a plurality of reaction types, where each reaction type maps to a plurality of reactants, and each reactant maps to a plurality of synthons, accepts a query in the form of a single graph into a molecular encoder model, thereby obtaining a query vector. The query vector is inputted into a reaction query generator model thereby obtaining a first reaction type and a first plurality of reactants. A synthon is determined for each reactant by inputting the reactant into a synthon query generator model. A set of synthons is therefore determined, each corresponding to a reactant in the first plurality of reactants. A molecular structure in the combinatorial synthesis library is identified that includes the set of synthons arranged in accordance with a synthesis rule associated with the first reaction type.