Abstract: The invention involves obtaining signatures of species (including chemical, biological, or biochemical molecules) and/or signatures of interactions between species and using them to characterize species, characterize interactions, and/or identify species that could be useful in a variety of settings. Signatures can be obtained using aqueous multi-phase partitioning and can be used to predict molecular interactions for applications such as drug discovery. A plurality of aqueous multi-phase partitioning arrangements can define an overall system providing an information-intensive signature, maximizing precision and sensitivity.

Abstract: The present invention provides for systems and methods for automated quantification of individual compounds in a mixture. The invention is generally concerned with quantitative analysis of solid, liquid, or gas samples and relies on a separation instrument and on a mass detector. The separation instrument provide means to separate the individual compounds typically according to certain physicochemical property, and the mass detector provides means to determine the amount or concentration of an arbitrary compound using an instrument-specific calibration curve. The present invention provides automated capability to analyze such mixtures without user intervention by varying pre-determined control parameters on one or more of the instruments so as to achieve a high degree of analytical resolution of some or all of the individual compounds in the mixture.

Abstract: The present invention generally provides systems and methods for the detection, identification, or characterization of differences between properties or behavior of corresponding species in two or more mixtures comprised of molecules, including biomolecules and/or molecules able to interact with biomolecules, using techniques such as partitioning. The experimental conditions established as distinguishing between the mixtures of the molecules using the systems and methods of the invention can also be used, in some cases, for further fractionation and/or characterization of the biomolecules and/or other molecules, using techniques such as single-step or multiple-step extraction, and/or by liquid-liquid partition chromatography. The methods could also be used for discovering and identifying markers associated with specific diagnostics, and can be used for screening for such markers once discovered and identified during diagnostics screening.

Abstract: The present invention is generally related to the separation, fractionation, and/or characterization of molecules and/or biomolecules in one or more mixtures. After fractionation, different phases of a partitioning system can be analyzed via an analytical technique such as spectral analysis, chromatography, or the like, to produce a spectrum or other symbolic representation of the species after fractionation, and the spectra of the various fractions/phases compared to define a comparative spectrum as a marker or otherwise providing information about the sample, including such information that is independent of the original level of abundance of the molecules in the mixture. Comparative spectra of various samples can be compared to each other and/or to controls or reference spectra and/or comparative spectra to determine a variety of information.

Abstract: The present invention generally provides systems and methods for the detection, identification, or characterization of differences between properties or behavior of corresponding species in two or more mixtures comprised of molecules, including biomolecules and/or molecules able to interact with biomolecules, using techniques such as partitioning. The experimental conditions established as distinguishing between the mixtures of the molecules using the systems and methods of the invention can also be used, in some cases, for further fractionation and/or characterization of the biomolecules and/or other molecules, using techniques such as single-step or multiple-step extraction, and/or by liquid-liquid partition chromatography. The methods could also be used for discovering and identifying markers associated with specific diagnostics, and can be used for screening for such markers once discovered and identified during diagnostics screening.

Abstract: A method of determining the solubility of a compound in a selected solvent is provided that does not require determination of, or use of, standards having known concentrations of the compound. In one aspect, the method can include preparation of a mixture where not all of a compound is dissolved in the provided solvent, separating undissolved compound from the solvent, and direct determination of the amount of the compound dissolved in the solvent. Methods adapted for use include those where a multiplicity of compounds or solvents are tested in parallel. Devices adapted for these methods are also provided by the present disclosure.