Abstract: Some implementations described herein relate to a system for generating identifiers. The system receives, from a device, a request to generate a plurality of identifiers. The system determines, based on receiving the request and by performing a parameter locking operation, a compute region parameter associated and a timestamp parameter. The system generates, based on the compute region parameter and the timestamp parameter, a set of one or more identifiers of the plurality of identifiers. Respective portions of each identifier, of the set of one or more identifiers, may indicate the compute region parameter, a version parameter associated with the parameter locking operation, the timestamp parameter, a counter value parameter, and an action parameter. The system processes, using a scrambling technique, the set of one or more identifiers and provides the set of one or more identifiers to the device.

Abstract: State of the art mechanisms for edible food coating design have the disadvantage that they fail to accommodate various factors such as type of compounds, chemical composition, and processing parameters such as pH, drying rate, temperature affect the nano-microstructure of the film. The disclosure herein generally relates to edible food coating, and, more particularly, to a method and system for developing and characterizing edible films using molecular dynamic simulations. The molecular dynamic simulations help design the edible food coatings, which maybe further used for practical applications.

Abstract: This invention provides methods of recycling or remanufacturing a fiber-reinforced thermosetting composite including softening of a fiber-reinforced thermosetting by subjecting the composite to a partial solvolysis, and reshaping the softened composite to form a reshaped softened composite, and infusing the reshaped softened composite with a virgin thermosetting resin or a glass or other fiber wrapping to form a recycled or a remanufactured composite. Recycled and remanufactured composite(s) are provided.

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.

Abstract: State of the art systems being used for determining free energy of permeation have the disadvantages that estimations purely based on molecular simulations is computationally expensive, and thus not suitable for high throughput calculation and screening. Existing machine learning approaches suffer from low accuracy and generalizability. The free energy of permeation is based on the molecule only, without considering lipid membranes. Hence, the models can't capture the difference between lipids. The disclosure herein generally relates to molecular processing, and, more particularly, to a method and system for determining free energy of permeation for molecules. The system creates features based on interaction of a molecule with solvent and lipid membranes. The features are then processed to determine time dependency, feature dependency, and feature relevance, and in turn the free energy of permeation is determined. The determined free energy of permeation is then given as a recommendation to a user.

Abstract: A method and system for in-silico testing of actives on human skin is described. The present invention discloses a micro and macroscopic level model of the skins upper protective layer Stratum-Corneum. The invention presents a multi-scale modeling framework for the calculation of diffusion and release profile of different actives like drugs, particles and cosmetics through developed skin model using molecular dynamics simulations and computational fluid dynamics approach. The systems consist of a molecular model of the skin's upper layer stratum corneum and permeate molecules. The system also consists of a macroscopic transport model of stratum corneum. The transport model is used to generate the release profile of the active molecule.

Abstract: One of the key challenges in healthcare and personal care industries is arriving at an optimum delivery vehicle and formulation which can deliver a specified active molecule to an intended site of action with minimal or no side effects. This disclosure relates to method of designing and testing of a vehicle and formulation for delivery of an active molecule. A plurality of inputs is processed to generate plurality of drug delivery routes. The vehicle associated with formulation is designed based on plurality of parameters associated with the active molecule and the plurality of drug delivery routes. The designed vehicle associated with the formulation on an in-silico model of corresponding chosen drug delivery route is tested to obtain data associated with delivery of the active molecule. The data associated with delivery of the active molecule is reiteratively processed to obtain a desired data associated with the delivery of the active molecule.

Abstract: A system and method for testing of skin electroporation using simulations of human skin has been described. The system is using a simulation protocol to provide an in-silico design of skin's upper layer stratum-corneum (SC) at molecular level. This model is then further used to design the skin electroporation strategy. An external electric field was applied across the lipid bilayer to form a pore in the lipid bilayer. The pore size and pore growth rate was calculated depending on the applied external electric field. The generated pore was then stabilized by varying the external electric field. Further, on removing the external electric field, the reformation of lipid bilayer and self-healing of human skin was also achieved. In another embodiment, the system is also configured to perform the virtual testing of a drug permeation through skin in presence of external electric field.

Abstract: Conventional systems and methods limit their approaches for simpler stratum corneum (SC) model and approximated parameters and thus lacked in understanding of electroporation. Further, these approaches limit their capabilities to a specific phenomenon either molecular of macroscopic level permeation, and flux and cumulative release profiles could not be obtained using molecular models due to their limitations with respect to time and length scales. Conventional simulation studies also lack in designing electroporation experimental protocols which require selection of multiple pulse parameters. Embodiments of the present disclosure provide systems and methods for in-silico design of skin electroporation parameters; wherein skin lipids membrane are simulated for calculation of physical properties such as diffusion coefficient. Further, macroscopic diffusion is simulated during electroporation and flux and cumulative release profiles of actives are computed.

Abstract: A system and method for design of polymeric carrier for controlled release of molecules is provided. The method includes receiving a plurality of input parameters of a polymeric carrier, a solvent, and molecules to be released from the polymeric carrier from a database and performing Molecular Dynamics (MD) simulations to estimate thermodynamic and transport properties of the polymeric carrier, the solvent and the molecules to be released using on one or more input parameters from the plurality of input parameters. Based on the estimated thermodynamic and transport properties, swelling and degradation kinetics of the polymeric carrier and release kinetics of the molecules to be released from the polymeric carrier is estimated and generating a proposed formulation based on difference between estimated released kinetics and the targeted release kinetics of the molecules.

Abstract: Systems and methods are disclosed for providing personnel status tracking in crisis situations, using crisis communications management systems. In particular, the systems and methods implement personnel status tracking using unified crisis notification management to multiple users and event management.

Abstract: One of the key challenges in healthcare and personal care industries is arriving at an optimum delivery vehicle and formulation which can deliver a specified active molecule to an intended site of action with minimal or no side effects. This disclosure relates to method of designing and testing of a vehicle and formulation for delivery of an active molecule. A plurality of inputs is processed to generate plurality of drug delivery routes. The vehicle associated with formulation is designed based on plurality of parameters associated with the active molecule and the plurality of drug delivery routes. The designed vehicle associated with the formulation on an in-silico model of corresponding chosen drug delivery route is tested to obtain data associated with delivery of the active molecule. The data associated with delivery of the active molecule is reiteratively processed to obtain a desired data associated with the delivery of the active molecule.

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.

Abstract: There is a lack of knowledge about bridging the gap between the length and time scales of multiple phenomena related to transport across skin layers and structural changes in skin proteins (collagen, elastin, etc.). The embodiments herein provide a method and system for insilico design and testing of formulations using a physiochemical skin model, which provides a technical solution of integrating expertise in molecular modelling and macroscopic modelling techniques to provide a complete solution for formulation design. The present disclosure integrates phenomena's happening at different length and time scales using molecular, microscopic and macroscopic modelling techniques. The present subject matter incorporates expertise in diverse modelling techniques such as molecular modelling and macroscopic modelling and knowledge about bio-molecular systems and mechanical characterization of materials.

Abstract: A system and method for testing of active molecules using simulation of skin membrane have been provided. The present disclosure provides a molecular level model of the skins upper protective layer Stratum-Corneum. The systems consist of a molecular model of the skins upper layer stratum corneum and permeate molecules. A protocol have been developed to perform molecular dynamics simulations which can be automated. The system predicts the permeability, partition coefficient and diffusivity of different active molecules like drugs and cosmetics through mentioned skin model using multiple molecule in single window constrained molecular dynamics simulations.

Abstract: A system and method for testing of skin electroporation using simulations of human skin has been described. The system is using a simulation protocol to provide an in-silico design of skin's upper layer stratum-corneum (SC) at molecular level. This model is then further used to design the skin electroporation strategy. An external electric field was applied across the lipid bilayer to form a pore in the lipid bilayer. The pore size and pore growth rate was calculated depending on the applied external electric field. The generated pore was then stabilized by varying the external electric field. Further, on removing the external electric field, the reformation of lipid bilayer and self-healing of human skin was also achieved. In another embodiment, the system is also configured to perform the virtual testing of a drug permeation through skin in presence of external electric field.

Abstract: Systems and methods are disclosed for providing personnel communications management within an enterprise or group of related enterprises during crisis situations. In particular, the systems and methods provide event management, shared situational awareness, personnel tracking, and unified crisis notification management to multiple users.

Abstract: A method and system for in-silico testing of actives on human skin is described. The present invention discloses a micro and macroscopic level model of the skins upper protective layer Stratum-Corneum. The invention presents a multi-scale modeling framework for the calculation of diffusion and release profile of different actives like drugs, particles and cosmetics through developed skin model using molecular dynamics simulations and computational fluid dynamics approach. The systems consist of a molecular model of the skin's upper layer stratum corneum and permeate molecules. The system also consists of a macroscopic transport model of stratum corneum. The transport model is used to generate the release profile of the active molecule.

Abstract: A system and method for design of polymeric carrier for controlled release of molecules is provided. The method includes receiving a plurality of input parameters of a polymeric carrier, a solvent, and molecules to be released from the polymeric carrier from a database and performing Molecular Dynamics (MD) simulations to estimate thermodynamic and transport properties of the polymeric carrier, the solvent and the molecules to be released using on one or more input parameters from the plurality of input parameters. Based on the estimated thermodynamic and transport properties, swelling and degradation kinetics of the polymeric carrier and release kinetics of the molecules to be released from the polymeric carrier is estimated and generating a proposed formulation based on difference between estimated released kinetics and the targeted release kinetics of the molecules.

Abstract: Systems and methods are disclosed for providing personnel communications management within an enterprise or group of related enterprises during crisis situations. In particular, the systems and methods provide event management, shared situational awareness, personnel tracking, and unified crisis notification management to multiple users.