11 results about "Molecular Response" patented technology

The invention discloses a multi-dimensional fusion chemical reaction rationality identification algorithm, and relates to the technical field of chemical informatics, and the algorithm comprises the steps: taking SMILES / SMARTS of a chemical reaction as an input, and eliminating an obviously unreasonable reaction through the compliance verification of molecule, reaction and bond valence levels; a reaction template is extracted to be matched with the self-modeling template library, and the reasonability of the matched template is verified through reduction reaction similarity; for the reaction which does not pass the template verification, utilizing a trained Transform synthesis / inverse synthesis algorithm to predict a product and a reactant from the positive direction and the inverse direction, and calculating the similarity with the input reaction; and finally, calculating a comprehensive score based on the two similarity values, and judging the reaction reasonability through a threshold value. According to the method, rule verification, template matching and deep learning prediction are fused, and the identification accuracy is improved.

Described herein are methods and compositions related to using genomic and / or methylation-based TF from a genomic, epigenomic detection platform to predict clinical benefit to therapies, including through evaluation of real-world patients. Tumor detection, methylation-based tumor fraction, and methylation-based molecular response are prognostic and predictive of outcomes, Prolonged treatment of patients not deriving benefit risks increased toxicity, may reduce chance of success for targeted treatments, and may increase clonal hematopoietic burden, wherein methylation based detection largely eliminates noise in determining genomic molecular response (gMR), thereby demonstrating advantageous use of methylation based molecular response (mMR).

The invention discloses a biomarker combination based on pollutant exposure detection and application thereof, and relates to the technical field of biomarkers, the biomarker combination comprises an integrin subunit itg-alpha11, a nuclear transcription factor nf-kb, and an antioxidant stress factor nrf2; according to the biomarker combination disclosed by the invention, a complete association network from molecular response to phenotypic risk is constructed by accurately capturing an action mechanism of BDE-47 at molecular and cellular levels; the rapid diagnosis of pollutant exposure can be realized in the early stage of embryonic development, and the risk of development malformation and the like can be effectively early warned; and meanwhile, a quantitative basis is provided for evaluating the pollution remediation effect, and accurate formulation of an environment quality standard and optimization of an aquaculture management strategy are supported. The biomarker combination not only deepens the theoretical cognition of a pollutant toxicity mechanism, but also provides an innovative tool for environmental health risk assessment and ecological protection practice, and has important theoretical significance and wide application prospects.

The present invention predicts a prescribed physical property in the reaction path of a multimolecular reaction. This prediction device comprises: an acquisition unit that acquires a trained model trained using a data set including, in a multimolecular reaction in which a formation system including two or more types of formation molecules is formed from a reaction system including two or more types of reaction molecules, the reaction system, the formation system, intermediate structures of the reaction molecules generated in the process of forming the formation molecules from the reaction molecules by the multimolecular reaction, and a prescribed physical property of at least one of the reaction system and the formation system; and a prediction unit that predicts the physical property using the trained model.

This invention provides an in-situ detection method for DNA molecular reaction networks, comprising: providing a reaction system including erroneous nodes; adding a diagnostic probe to the target node, reading the fluorescence signal and comparing it with a fluorescence intensity threshold to determine the state of the target node; the diagnostic probe includes an amplifier module and a fluorescent reporter molecule module, the amplifier module receiving the node signal chain of the target node and converting it into an amplified signal, and the fluorescent reporter molecule module converting the amplified signal into a fluorescence response; removing the fluorescent reporter molecule module of the diagnostic probe through biotin-streptavidin interaction and a magnetic field; repeating the addition and removal steps until the location of the erroneous node is accurately determined. This invention, by adding a diagnostic probe targeting a single node and combining it with a magnetic field-assisted fluorescent reporter molecule removal mechanism, achieves in-situ, stepwise, and site-specific fault detection of nodes at all levels of a DNA molecular reaction network.

The invention provides a homogeneous chemiluminescence determination kit and a quantitative determination method of pepsinogen I. The kit comprises a reagent R1 and a reagent R2, wherein the reagent R1 comprises a luminescence donor molecule coupled with a first antibody of pepsinogen I and a reaction buffer solution; and the R2 reagent comprises a light-emitting receptor molecule coupled with a pepsinogen I second antibody and a reaction buffer solution. A donor / receptor double-labeled antibody sandwich reaction is adopted, one-step incubation is achieved, solid-phase separation and washing are not needed, the process is remarkably simplified, and the detection time is shortened; by collecting the luminous intensity at 620 nm and 665 nm and quantifying the luminous intensity by a specific value signal, errors caused by sample turbidity, color and volume fluctuation and instrument drift can be effectively corrected; meanwhile, a protein blocking agent, a chelating agent and a heterophilic antibody blocking component are introduced into a reaction buffer system, interference of non-specific adsorption and rheumatoid factors / heterophilic antibodies is reduced, and adaptability to complex matrixes such as bile fluid and serum / plasma is enhanced.

The application discloses a menthylamide cooling agent reaction condition prediction system and method, aiming to optimize reaction conditions through intelligent methods, improve experimental efficiency, reduce production cost, and ensure stable product quality. The system combines design of experiment (DoE) and response surface method (RSM) technology, analyzes the relationship between reaction conditions and products through system analysis, uses multi-scale modeling, combines molecular reaction mechanism and macroscopic reactor model, realizes seamless connection from laboratory to industrial scale, and solves the challenges in the amplification process. Through real-time data monitoring and feedback adjustment, the system can dynamically optimize the reaction process, improve the controllability and stability of the production process, and the application not only improves the scientificity and intelligent level of reaction optimization, but also provides an efficient, controllable and environmentally-friendly solution for large-scale production of menthylamide cooling agents.

This invention discloses a computer device and method for mining stress-responsive variant sites or molecular QTLs based on cross-conditional comparative analysis. First, the invention transforms molecular traits using Bray-Curtis distance, ensuring that the transformed molecular traits represent the influence of natural variation on the molecular traits, including the genetic effects of natural variation and stress response effects. Then, comparative PCA is used to perform dimensionality reduction on molecular traits under stress treatment and those under control, thereby accurately obtaining the stress response effect of the molecular traits and using it as a stress response index. Finally, genome-wide association analysis of the stress response index is used to obtain stress-responsive molecular QTLs for the identification of cross-conditional molecular response QTLs such as those related to stress stimuli.

Provided is a technique to carry out mass spectrometry of a wide variety of subject compounds to be analyzed, each of which is extracted in a supercritical fluid. A mass spectrometer (1) includes: a supercritical fluid introduction section (3) for introducing and releasing, to vacuum, a supercritical fluid in which a subject compound for mass spectrometry is contained (extracted); an ionization section (4) that ionizes the subject compound which is extracted in the supercritical fluid, the ionization being carried out in the vacuum by a molecular reaction involving proton transfer; and a mass measurement section (5) that measures a mass of the subject compound which has been ionized.

The invention discloses a pyridine-derived adjacent thiol covalent bridging reagent and a preparation method and application of a conjugate thereof. The pyridine-derivatized adjacent thiol covalent bridging reagent (i.e., the disulfide bridging reagent) contains three different electrophilic functional groups, and the reaction activity of two electrophilic groups and thiol groups can be adjusted by reasonably designing and adjusting substitution positions and substituent groups; the covalent bridging of intramolecular or intermolecular disulphides of polypeptide, protein, antibody and fragment thereof is realized. In addition, the third electrophilic functional group further reacts with reactive active functional molecules to generate a stable biological conjugate. The antibody-drug conjugate prepared by the invention shows obvious inhibitory activity on cell strains expressing corresponding antigens, and has potential clinical application value. Compared with the prior art, the coupling reagent provided by the invention has higher reaction selectivity and product stability in the field of biological coupling, and provides a new tool and method for modification and functionalization of biomolecules.

A method for identifying derived compounds exhibiting activity for a target macromolecule generates experiences. Each experience uses an initial compound in plurality of initial compounds to construct a derived compound through a hierarchical proximal policy. The policy has a parent molecular reaction model and a child reactant model that uses an environment of the target macromolecule. The parent model evaluates a plurality of molecular reactions. The child model evaluates a corresponding plurality of reactants for a selected molecular reaction. Using the plurality of experiences, the parameters of the parent model are updated in accordance with a first surrogate objective while the parameters of the child model are updated in accordance with a second surrogate objective. The generation of derived compounds and hierarchical proximal policy updating continues until convergence. Then, a subset of the derived compounds from the experiences is tested for activity against the target macromolecule.