Sunnyvale, CA, United States
Sunnyvale, CA, United States

Symyx Technologies, Inc. was a company that specialized in informatics and automation products. Symyx provided software solutions for scientific research, including Enterprise Laboratory Notebooks and products for combinatorial chemistry. The software part of the business became part of Accelrys, Inc. Symyx also offered laboratory robotics systems for performing automated chemical research, which on 2010, was spun out as Freeslate, Inc. Wikipedia.

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Williams A.J.,Royal Society of Chemistry | Ekins S.,Collaborations in Chemistry | Clark A.M.,Molecular Materials Informatics Inc. | Jack J.J.,Symyx | Apodaca R.L.,Metamolecular LLC
Drug Discovery Today | Year: 2011

Mobile hardware and software technology continues to evolve very rapidly and presents drug discovery scientists with new platforms for accessing data and performing data analysis. Smartphones and tablet computers can now be used to perform many of the operations previously addressed by laptops or desktop computers. Although the smaller screen sizes and requirements for touch-screen manipulation can present user-interface design challenges, especially with chemistry-related applications, these limitations are driving innovative solutions. In this early review of the topic, we collectively present our diverse experiences as software developer, chemistry database expert and naïve user, in terms of what mobile platforms could provide to the drug discovery chemist in the way of applications in the future as this disruptive technology takes off. © 2011 Elsevier Ltd.


Diamond G.M.,Rennovia | Hall K.A.,Symyx | Lapointe A.M.,Cornell University | Leclerc M.K.,University of California at Berkeley | And 3 more authors.
ACS Catalysis | Year: 2011

New nonmetallocene catalysts for the isospecific polymerization of propylene were discovered using high-throughput screening. These hafnium heteroaryl-amido catalysts are structural analogues of the highly successful hafnium pyridyl-amido catalysts. Initial primary and secondary screening of a library of five thiazole-amine ligands with Zr and Hf with propylene resulted in the discovery of highly active catalysts with high activity, high molecular weight capability, and stereoinduction that ranged from low to high, depending on the ligand and activation conditions. Subsequent screening revealed that bulky aryl substituents at the N-aryl (R1), thiazole ortho position (R2) and the bridge position (R3) were preferred for high activity, although stereoinduction was lower than that observed for the pyridyl-amidos. The thiazole-amine catalysts containing a 2-methoxyphenyl substituent at R2 and activation conditions that included B(C 6F 5) 3 formed highly isotactic polypropylene with low catalyst activity. Subsequent complexation and reactivity studies revealed that in the presence of B(C 6F 5) 3 and trialkylaluminum reagent, demethylation of the bound ligand ether occurred, resulting in binding of the ligand in a tridentate [O -, N, N -] fashion. The resulting thiazole-amido phenoxide complex was prepared independently and is a highly stereospecific catalyst for the polymerization of propylene, although it exhibited low activity relative to the other thiazole-amido catalysts. This structural clue suggested that expansion of the ring formed upon orthometalation at the R2 position might be advantageous for stereocontrol. A library of imidazole-amine and thiazole-amines containing 2-methylbenzothiophene (2-MeBZT) and 2-ethylbenzofuran substituents (2-EtBZF) at R2 was prepared, complexed to Hf, and screened with propylene at 110 °C. Many of the catalysts showed high activity, high molecular weight capability, and very good stereoinduction. © 2011 American Chemical Society.


Grasselli R.K.,University of Delaware | Grasselli R.K.,TU Munich | Lugmair C.G.,Symyx | Volpe Jr. A.F.,Symyx
Topics in Catalysis | Year: 2011

The M1 phase of the MoV(Nb,Ta)TeO system is one of the most effective catalysts for the ammoxidation and selective oxidation of propane to acrylonitrile (AN) and acrylic acid, respectively. The active centers of the M1 phase reside on the ab planes of this crystalline material (i.e., the (001) lattice face). Early on we proposed that the thus located active centers contain all key catalytic elements strategically placed for the conversion of propane to AN. These seven element comprising active centers contain: five metal oxide octahedra (2 V 0.32 5+ /Mo 0.68 6+, 1 V 0.62 4+ /Mo 0.38 6+, 2Mo 0.5 6+ /Mo 0.5 5+ ) and two Te 4+-oxygen sites. In this contribution we analyze the various compositional probabilities of the seven element active centers and their additional eight element surroundings and conclude that there are 32 possible compositional arrangements of this 15 element assembly. From the diverse structural arrangements, diverse catalytic properties can be assigned to the individual sites, leading to diverse propane reaction pathways. We conclude that there are 22% AN forming, 22% propylene, 10% waste and 46% inert sites. After normalization these sites are deemed to lead to the following product yields: 41% AN, 41% propylene and 18% waste. The highest experimentally attained AN yield from propane is 42%, employing M1 phase only, which coincides with the predicted value of a concerted mechanism. Higher AN yields are, however, anticipated, up to a lofty upper limit of 82%, by allowing also for a consecutive mechanism (C3° → C 3 = →AN). This possibility can be rationalized on the basis of the existence of vicinal C3° → C 3 = /C 3 = →AN sites whose presence is plentiful on the catalytically important ab planes of M1. The placement and efficiency of these sites is, however, not perfect; therefore the upper AN yield limit is not realized in practice. Our analysis of the elemental distribution at the active centers and their immediate surroundings provides us with new insights into the relationship between structure and catalytic reaction mechanisms of the M1 phase and might serve as a guide towards a redesign of the M1 composition, so as to attain higher AN yields from propane. It provides a challenging task for the synthetic chemist. © 2011 Springer Science+Business Media, LLC.


Metal complexes comprising certain polydentate heteroatom containing ligands, catalysts, and coordination polymerization processes employing the same are suitably employed to prepare polymers having desirable physical properties.


Metal complexes comprising certain polydentate heteroatom containing ligands, catalysts, and coordination polymerization processes employing the same are suitably employed to prepare polymers having desirable physical properties.


Patent
Symyx | Date: 2010-03-31

A reactor system includes a housing and a plurality of reactors at least partially contained in the housing. The reactors each have a containment structure enclosing an internal space in the reactor. The containment structure including a circumferential sidewall having opposite ends and surrounding at least a portion of said internal space. The sidewall has a thermal mass and a sidewall heater adjacent an exterior surface of the sidewall. The ratio of the thermal mass of the sidewall to a volume of the portion of the internal space that is surrounded by the sidewall is relatively low.


Patent
Honda Giken Kogyo Kabushiki Kaisha and Symyx | Date: 2010-07-14

A method of preparing a platinum-and sodium-containing catalyst comprising :impregnating all non-platinum-and non-sodium-containing components of the catalyst composition onto a surface to form a first surface;impregnating a platinum-containing solution to the first surface to form a platinum-containing surface;calcining the platinum-containing surface to form a calcined platinum containing coating;impregnating a sodium-containing solution to the calcined platinum-containing coating to form a second surface; anddrying the second surface.


The field of the invention relates generally to a method for preparing very-high or ultra-high molecular weight polyethylene. More particularly, the present invention related to a method of preparing very-high or ultra-high molecular weight polyethylene using a supported catalyst comprising a support, an activator and a metal-ligand complex, as well as the catalyst itself. The present invention additionally relates to a method of using a supported catalyst comprising a support, an activator and co-supported metal-ligand complexes to obtain a bi-modal molecular weight distribution of polyethylene.


Patent
Symyx | Date: 2010-05-26

A valve is disclosed for dispensing small quantities of solid material in powder or granular form. The valve includes a valve housing defining a generally vertical flow passage through the housing, and a valve member rotatable in the valve housing about a generally horizontal axis of rotation between open and closed positions. In one embodiment, a slot is provided in the valve body. The valve body and slot are configured such that the slot communicates with both the inlet and the outlet of the flow passage when the valve member is open, and such that the slot communicates with the inlet but not the outlet of the flow passage when the valve member is closed. Other embodiments are disclosed.


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