SYSTEM AND METHOD FOR EVALUATION OF ATLEAST ONE POTENTIAL TASTANT FROM A PLURALITY OF TASTANTS

    公开(公告)号:US20200251187A1

    公开(公告)日:2020-08-06

    申请号:US16783824

    申请日:2020-02-06

    Abstract: A processor implemented method of evaluating at least one potential tastant from a plurality of tastants is provided. The processor implemented method includes at least one of: receiving, information associated with a plurality of molecular activities; generating, a plurality of data-based models based on the known taste index associated with at least one tastant and information from associated molecular structure/descriptors; classifying, a new molecule based on the generated data-based models for the at least one tastant; screening, the one or more classified new molecules in an applicability domain of the generated data-based models based on the physics-based models by at least one molecular modeling technique; and evaluating, the at least one potential tastant from the screened molecules based on at least one of a bioavailability and a toxicity. In an embodiment, the plurality of molecular activities corresponds to a taste index and a binding energy.

    SYSTEMS AND METHODS FOR PREDICTING STRUCTURE AND PROPERTIES OF ATOMIC ELEMENTS AND ALLOY MATERIALS

    公开(公告)号:US20200066376A1

    公开(公告)日:2020-02-27

    申请号:US16299699

    申请日:2019-03-12

    Abstract: Metallic alloy development has been traditionally based on experimental or theoretical equilibrium phase diagrams and the like. The synthesis, processing and mechanical testing of small and large real samples are a challenging task requiring huge amount of effort in terms of time, money, resource, tedious testing and processing equipment and man-hour for which conventional Calphad calculations etc. alone do not help much in their local structure and related property prediction. Embodiments of the present disclosure provide simulation systems and methods for structure evolution and property prediction Molecular Dynamics (MD) combined with accelerated Monte Carlo techniques, wherein information on atomic elements and composition specific to alloy material is obtained to generate a MD potential file that is further used to generate a 3D structure file by executing a structure equilibration technique. An optimized evolved 3D structure file is then generated that has atomic positions output and/or thermodynamic output for predicting properties.

    SYSTEMS AND METHODS FOR IDENTIFYING MULTI COMPONENT ALLOY CATALYSTS FOR A TARGET CHEMICAL REACTION

    公开(公告)号:US20240233885A1

    公开(公告)日:2024-07-11

    申请号:US18402796

    申请日:2024-01-03

    CPC classification number: G16C60/00 G16C10/00 G16C20/70

    Abstract: Conventional approaches are not efficient for the screening of active multi component alloy catalysts. Present disclosure provides systems and method that incorporate elements of materials chemistry, artificial intelligence (AI)/machine learning (ML) and optimization for the screening of such active catalysts for a target chemical reaction. Given a set of elements constituting the alloy and the target reaction, surface atomic structures of several different alloy composition and configurations are constructed. Then, adsorption energy of key reaction intermediates on the surface atomic structures are computed using quantum chemical methods (QCM). Next, an AI/ML model is trained using data obtained from QCM to predict the adsorption energy of the reaction intermediates on the alloy surface. Finally, numerical optimization is used to identify alloy compositions that maximize the activity and selectivity of the catalyst for a target chemical reaction.

    SYSTEM AND METHOD FOR NON-INVASIVE REAL-TIME PREDICTION OF LIQUID FOOD QUALITY WITHIN ENCLOSED PACKAGE

    公开(公告)号:US20220205905A1

    公开(公告)日:2022-06-30

    申请号:US17562133

    申请日:2021-12-27

    Abstract: State of the art food quality measurement techniques fail to determine quality of the food item once it is packed and sealed in an enclosed package. The disclosure herein generally relates to food quality prediction, and, more particularly, to a system and method for predicting liquid food quality in a non-invasive manner. A near infra-red (NIR) radiation is transmitted through a semi-transparent opening configured on an enclosed package containing a liquid food item and the resulting NIR reflection spectra is collected. The quality of the liquid food item is estimated by correlating a plurality of features derived from the NIR reflection spectra with the concentration of the biomarker contained in the liquid food item, using a trained machine learning model and the remaining shelf life of the liquid food item is estimated based on the concentration of the biomarker.

    METHOD AND SYSTEM FOR DESIGNING ARTIFICIALLY STRUCTURED MATERIALS WITH CUSTOMIZED FUNCTIONALITIES

    公开(公告)号:US20220180025A1

    公开(公告)日:2022-06-09

    申请号:US17219204

    申请日:2021-03-31

    Abstract: Artificially structured materials are created artificially and offer customizable properties. They are being used in various fields. A system and method for designing artificially structured materials have been provided. The system and method is based on neural networks for approximating the electromagnetic (EM) responses of the artificially structured materials. By treating the EM spectral data as time-varying sequences and the inverse problem as a single-input, multi-output model, the architecture is forced to learn the geometry of the designs from the training data as opposed to abstract features thereby addressing both the forward and the inverse design problems. The system is configured to provide end-to-end workflow from collating the requirement specifications from the user (based on the intended use case such as solar energy harvesting, biological sensing, thermos-photovoltaics, photo-detection, creation of imaging devices, absorption filtering and stealth technology) to generating a device design for the intended functionality.

    METHOD FOR OBTAINING SUPERHYDROPHOBIC CORROSION-RESISTANT COATINGS

    公开(公告)号:US20210292908A1

    公开(公告)日:2021-09-23

    申请号:US17176748

    申请日:2021-02-16

    Abstract: This disclosure relates to a method for obtaining superhydrophobic corrosion-resistant coatings. State-of-the-art approaches involve etching methods with elevated temperatures and/or longer duration which are complex and use high concentration of combination of acids, alkali, and salt solutions in etching process to obtain a roughness which makes it difficult to handle usage of chemicals and controlling process. The method of the present disclosure has addressed this issue by selection of optimum concentrations of combinations of one or more type of acids, oxidizing agents which are safe, easy to handle and provide better control over the process. The method of the present disclosure is easy, inexpensive, and environmentally friendly. The superhydrophobic corrosion-resistant coatings possess contact angles greater than 151° and coating efficiency more than 85 percent arrived at by using corrosion currents from polarization studies.

    METHOD AND SYSTEM FOR SEPARATION OF RARE EARTH ELEMENTS FROM SECONDARY SOURCES

    公开(公告)号:US20200308670A1

    公开(公告)日:2020-10-01

    申请号:US16799884

    申请日:2020-02-25

    Abstract: Recovery of rare earth elements (REEs) from electronic wastes is a promising approach. The existing methods for separation of REE from the secondary sources are not economically viable and scalable. A method and system for separation of rare earth metals from a plurality of secondary sources has been provided. The magnet is obtained from the secondary sources which is then crushed to a coarser size. The powder is then demagnetized by heating and roasted at high temperature to obtain the metal oxides. The metals oxides are then dissolved by acid leaching to obtain leach liquor. Iron is removed from leach liquor by precipitation and separated by filtration. The individual REE is then separated by liquid-liquid extraction. The conditions in liquid-liquid extraction are adjusted such that only desired REE is separated. The extracted REE is then stripped out by acid. The individual rare earth element is then precipitated and dried.

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