Abstract: A method for identifying compounds with threshold activity against a target macromolecule first generates multiple poses for each compound fragment in a plurality of compound fragments against an atomic model of the target macromolecule. This creates a collection of configurations, or a “pose set,” for the compound fragments. Each pose is associated with a subset of interaction features drawn from a broader set of such features. Each feature corresponds to a subregion of the target macromolecule's atomic model. Each pose is quantified by application to a physics model. This assigns a score to the interaction features associated with the poses. A binding hypothesis is formed for the macromolecule, using the collection of interaction features and their corresponding scores. From this hypothesis, derived compounds are identified. These derived compounds are tested for their activity against the macromolecule, leading to the identification of those that exhibit the desired threshold activity.

Abstract: 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.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: Systems and methods for characterizing interactions between molecules and targets are provided. Candidate molecules are selected using first interaction scores for each molecule and a target. Molecular graphs of each molecule are inputted into a first and/or second model to retrieve a first plurality of on-target interaction features or a second plurality of off-target interaction features, respectively. Second interaction scores are obtained using the first and/or second plurality of features and evaluated to filter the plurality of candidate molecules. For each molecule, a third plurality of binding affinity interaction features and/or a fourth plurality of specificity interaction features are determined. The plurality of candidate molecules is filtered based at least on counts of features in the third and/or fourth plurality of features. Predictions of interaction between each molecule and the target are determined using at least the third and/or fourth plurality of features.

Abstract: Provided are liposomes that encapsulate adenosine. The liposomes may be formed from sphingomyelin or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphorylglycerol (DMPG) or a combination of sphingomyelin, DMPG, and DMPC. The liposomes encapsulating adenosine may be used to induce cartilage regeneration, treat osteoarthritis, alleviate joint pain, and/or slow, arrest, and/or reverse progressive structural tissue damage associated with osteoarthritis or treat osteoarthritis, rheumatoid arthritis, acute gouty arthritis, and/or synovitis. The liposomes may release adenosine for up to two weeks.

Abstract: Provided are liposomes that encapsulate adenosine. The liposomes may be formed from sphingomyelin or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphorylglycerol (DMPG) or a combination of sphingomyelin, DMPG, and DMPC. The liposomes encapsulating adenosine may be used to induce cartilage regeneration, treat osteoarthritis, alleviate joint pain, and/or slow, arrest, and/or reverse progressive structural tissue damage associated with osteoarthritis or treat osteoarthritis, rheumatoid arthritis, acute gouty arthritis, and/or synovitis. The liposomes may release adenosine for up to two weeks.

Abstract: Provided are liposomes that encapsulate adenosine. The liposomes may be formed from sphingomyelin or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) or a combination of sphingomyelin and 1,2-dimyristoyl-sn-glycero-3-phosphorylglycerol (DMPG) or a combination of sphingomyelin, DMPG, and DMPC. The liposomes encapsulating adenosine may be used to induce cartilage regeneration, treat osteoarthritis, alleviate joint pain, and/or slow, arrest, and/or reverse progressive structural tissue damage associated with osteoarthritis or treat osteoarthritis, rheumatoid arthritis, acute gouty arthritis, and/or synovitis. The liposomes may release adenosine for up to two weeks.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: The invention provides systems and methods for providing a diagnostic examination to a patient, including, but not limited to a determination of the permeability of a patients' body cavity.

Abstract: Methods and compositions for treating underactive bladder and/or symptoms thereof are disclosed, wherein the composition including an effective amount of a therapeutic agent and a pharmaceutically acceptable lipid vehicle is locally administered to the bladder, thereby treating the underactive bladder and/or symptoms thereof.

Abstract: Non-invasive methods and devices are disclosed to derive estimates of body Core Temperature from external sensors that provide electrocardiograph (ECG) data, and Mean Skin Temperature data. The ECG and Mean Skin Temperature are input to a model that provides estimates of Core Temperature temperature. The model is derived regressively from ECG, Mean Skin Temperature and Core Temperature data obtained from a number of test subjects. A monitoring device may be used, for example, to trigger an alarm, display Core Temperature data to the device wearer or to a remote monitoring station, or to activate an emergency temperature control system or device.

Abstract: A monolith comprises a zeolite, a thermally conductive carbon, and a binder. The zeolite is included in the form of beads, pellets, powders and mixtures thereof. The thermally conductive carbon can be carbon nano-fibers, diamond or graphite which provide thermal conductivities in excess of about 100 W/m·K to more than 1,000 W/m·K. A method of preparing a zeolite monolith includes the steps of mixing a zeolite dispersion in an aqueous colloidal silica binder with a dispersion of carbon nano-fibers in water followed by dehydration and curing of the binder is given.

Abstract: A method for dyeing high density polyethelene fiber fabric, which includes applying an aliphatic stain on the fabric.

Abstract: A monolith comprises a zeolite, a thermally conductive carbon, and a binder. The zeolite is included in the form of beads, pellets, powders and mixtures thereof. The thermally conductive carbon can be carbon nano-fibers, diamond or graphite which provide thermal conductivities in excess of about 100 W/m·K to more than 1,000 W/m·K. A method of preparing a zeolite monolith includes the steps of mixing a zeolite dispersion in an aqueous colloidal silica binder with a dispersion of carbon nano-fibers in water followed by dehydration and curing of the binder is given.

Abstract: An apparatus to amalgamate substances which includes at least two substance holding tanks, an inert gas tank, an amalgamation mixing chamber, and a nozzle. The inert gas tank is in fluid communication with the at least two substance holding tanks such that when actuated, inert gas will further pressurize substances contained in the at least two substance holding tanks. The amalgamation mixing chamber is in fluid communication with the at least two substance holding tanks such that when actuated, the substances in the at least two substance holding tanks enter and mix in the amalgamation mixing chamber. The nozzle is in fluid communication with the amalgamation mixing chamber such that when actuated, the mixed substances in the amalgamated mixing chamber are discharged from the nozzle.

Abstract: To treat premature ejaculation, delay ejaculation, or improve male sexual control, control bladder urgency and/or minimize or alleviate irritated bladder or bladder urgency, an effective amount of St. John's Wort extract rich in hyperforin is administered to a male prior to sexual intercourse, or to a male or female patient otherwise in need thereof.

Abstract: An invention is disclosed for the assessment of various properties of bone. A method and apparatus are disclosed that use a pair of non-contact (i.e., air-coupled) ultrasound transducers. The invention includes a pair of non-contact ultrasound transducers placed above skin on opposite sides of the bone and generating an ultrasound signal and directing the signal through both the bone to obtain a bone output signal. The method further includes establishing a set of parameters associated with the bone output signal and then further processing the parameters in order to obtain the desired bone property. Apparatuses for the assessment of various properties of bone are also provided. The apparatus includes a pair of ultrasound transducers which may be single-element transducers, focused, or array transducers in any combination.