Abstract: Methods and apparatus, including computer program apparatus, implementing techniques for designing sets of combinatorial experiments. A set of experimental parameters, sampling patterns, and constraints defines a set of experiments that is limited to a volume of a hyperspace defined by the set of experimental parameters. Parameters can be grouped by type such that grouped parameters are constrained to perform a common role in the set of experiments. The practicability of the experiment design can be estimated based on the number of experiments in the set of experiments. The experiment design can be used to prepare one or more combinatorial libraries.

Abstract: Rapid characterization and screening of polymer samples to determine average molecular weight, molecular weight distribution and other properties is disclosed. Rapid flow characterization systems and methods, including liquid chromatography and flow-injection analysis systems and methods are preferably employed. High throughput, automated sampling systems and methods, high-temperature characterization systems and methods, and rapid, indirect calibration compositions and methods are also disclosed. The described methods, systems, and devices have primary applications in combinatorial polymer research and in industrial process control.

Abstract: A new ligands that include a benzene ring in the backbone can be combined with a metal or metal precursor compound or formed into a metal-ligand complex catalyze a number of different chemical transformations, including olefin polymerization reactions. The ligands, complexes formed with the ligands and compositions including the ligands are useful catalysts, depending on the reaction.

Abstract: Methods and apparatus for combinatorial (i.e., high-throughput) materials research, such as catalysis research, that involves parallel apparatus for simultaneously effecting mechanical treatments such as grinding, mixing, pressing, crushing, sieving, and/or fractionating of such materials are disclosed. The methods and apparatus are useful for mechanically treating catalysis materials and other solid materials, including without limitation, electronic materials such as phosphors, colorants such as pigments, and pharmaceuticals such as crystalline drugs or drug candidates. The simultaneous protocols and parallel apparatus offer substantial improvements in overall throughput for preparing arrays of materials, such as catalysis materials.

Abstract: Fluid monitoring methods, systems and apparatus are disclosed. Preferred embodiments comprise one or more mechanical resonator sensing elements such as flexural resonator sensing elements. In preferred embodiments the sensing elements comprises one or more embedded electrodes.

Abstract: Computer-implemented methods, systems and apparatus implement techniques for generating custom coclasses. A runtime environment includes a client application implementing an object model, which includes a hierarchy of object classes that can be instantiated in the client application. The object model includes class templates, each having an associated class type, and includes class functionality information—including required class functionality and elective class functionality—for custom classes that can be implemented in the client application. When a user requests the creation of a custom class of a specified type, a design-time environment is launched and class functionality information is retrieved for a class template associated with the type. A custom class is created, based on a class definition defining a class having the required class functionality and the specified elective class functionality.

Abstract: Metal-ligand complexes that are useful as precursors to catalysts for the polymerization of olefins are provided. Certain of the catalysts are particularly effective at polymerizing ethylene and styrene into copolymers having novel properties, including a low molecular weight and close comparison between vinyl and methyl end groups.

Abstract: A method for measuring properties of a fluid that includes oscillating a tuning fork resonator in a fluid. The invention is particularly suitable for in-line monitoring of various physical and electrical properties of fluids flowing in a conduit.

Abstract: An apparatus for parallel processing of reaction mixtures comprises a plurality of vessels for holding a plurality of reaction mixtures for processing. A plurality of vessel supports are adapted for supporting the plurality of vessels. Caps sealingly engage the vessel supports for sealing the vessels within the vessel supports. The vessels, vessel supports, and caps define reaction chambers having bearings and stirrers rotatable therein. The stirrers each comprise a spindle rotatable in a respective bearing and at least one stirring implement extending from the spindle for contacting a respective reaction mixture. The stirrers further comprise at least one magnet adapted to be subjected to a rotating magnetic field in the vessel for causing the stirrer to rotate thereby to mix the respective reaction mixture.

Abstract: A library of materials is screened for mechanical properties such as strength, tack or other properties. A library of materials is provided. A stimulus such as a stress or force is provided to each member of the library. A response (e.g., a strain) of each of the materials due to the stimulus is measured and the response, the stimulus or both are recorded and related to provide data. Thereafter, the data is analyzed to reach conclusions regarding properties of the material samples.

Abstract: The invention provides methods, apparatus, and systems for performing high-throughput preparation and screening of salts and polymorphs of drug candidates. The invention is directed towards enhancing the pre-formulation discovery process used for drug development. In particular, processes that determine suitable salts and processes that discover substantially every polymorph that can form from a particular drug candidate are provided. The processes are performed using several apparatuses that are specifically configured to carry-out various steps in a high-throughput characterization process. One such apparatus is configured for synthesizing a plurality of library members based on, for example, a library model generated by a computer system. Another apparatus may filter the synthesized solution to provide a substantially pure mixture that can be subjected to salt or polymorph testing.

Abstract: A circuit for determining characteristics of a fluid under-test is provided. The circuit includes analog-to-digital processing circuitry for interfacing with a sensor and host electronics.

Abstract: The invention provides methods, apparatus, and systems for performing high-throughput preparation and screening of salts and polymorphs of drug candidates. The invention is directed towards enhancing the pre-formulation discovery process used for drug development. In particular, processes that determine suitable salts and processes that discover substantially every polymorph that can form from a particular drug candidate are provided. The processes are performed using several apparatuses that are specifically configured to carry-out various steps in a high-throughput characterization process. One such apparatus is configured for synthesizing a plurality of library members based on, for example, a library model generated by a computer system. Another apparatus may filter the synthesized solution to provide a substantially pure mixture that can be subjected to salt or polymorph testing.

Abstract: An apparatus and method for screening combinatorial libraries of materials by measuring the response of individual library members to mechanical perturbations is described. The apparatus generally includes a sample holder for containing the library members, an array of probes for mechanically perturbing individual library members, and an array of sensors for measuring the response of each of the library members to the mechanical perturbations. Library members undergoing screening make up a sample array, and individual library members constitute elements of the sample array that are confined to specific locations on the sample holder. During screening, the apparatus mechanically perturbs individual library members by displacing the sample array (sample holder) and the array of probes. Typically, all of the elements of the sample array are perturbed simultaneously, but the apparatus also can also perturb individual or groups of sample array elements sequentially.

Abstract: Metal-ligand complexes that are useful as precursors to catalysts for the polymerization of olefins are provided. Certain of the catalysts are particularly effective at polymerizing ethylene and styrene into copolymers having novel properties, including a low molecular weight and close comparison between vinyl and methyl end groups.

Abstract: Noble metal/reducible metal oxide catalysts effective for the direct amination of aromatic hydrocarbons and heterocyclic analogs thereof are disclosed. In one embodiment, the cataloxidant comprises a noble metal selected from Pd, Rh, Ir and/or Ru and a reducible metal oxide. In another embodiment, the cataloxidant comprises a noble metal and a reducible oxide of a metal selected from Ni, Mn, V, Ce, Th, Pr, Te, Re, Co, Fe, Cu and/or Bi. A preferred cataloxidant comprises one or more noble metals selected from Pd, Rh, Ir and/or Ru, in combination with nickel oxide and/or manganese oxide. In preferred applications, benzene can be aminated in the presence of the cataloxidants to form aniline. A benzene conversion of at least 5% is achieved, with more than 90% selectivity for aniline. Significantly, the cataloxidant can be regenerated without a substantial loss of performance.

Abstract: A method and apparatus for measurement of mass of small sample sizes. The method and apparatus is particularly adapted for providing microbalance measurement of solid materials as part of a combinatorial research program. The method and apparatus contemplate monitoring the response of a resonator holding a sample and correlating the response with mass change in the samples.

Abstract: Devices and methods for controlling and monitoring the progress and properties of multiple reactions are disclosed. The method and apparatus are especially useful for synthesizing, screening, and characterizing combinatorial libraries, but also offer significant advantages over conventional experimental reactors as well. The apparatus generally includes multiple vessels for containing reaction mixtures, and systems for controlling the stirring rate and temperature of individual reaction mixtures or groups of reaction mixtures. In addition, the apparatus may include provisions for independently controlling pressure in each vessel, and a system for injecting liquids into the vessels at a pressure different than ambient pressure.

Abstract: Methods and apparatus for screening diverse arrays of materials using infrared imaging techniques are provided. Typically, each of the individual materials on the array will be screened or interrogated for the same material characteristic. Once screened, the individual materials may be ranked or otherwise compared relative to each other with respect to the material characteristic under investigation. According to one aspect, infrared imaging techniques are used to identify the active sites within an array of compounds by monitoring the temperature change resulting from a reaction. This same technique can also be used to quantify the stability of each new material within an array of compounds. According to another aspect, identification and characterization of condensed phase products is achieved, wherein library elements are activated by a heat source serially, or in parallel.

Abstract: A catalyst suitable for use in a fuel cell, especially as an anode catalyst, that contains platinum, ruthenium, and nickel, wherein the nickel is at a concentration that is less than about 10 atomic percent.