Crystal structure of N-[(1S,2S)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide

The title compound, C15H24N2O2S, was synthesized via a substitution reaction between the enanti­opure (1S,2S)-(+)-1,2-di­amino­cyclo­hexane and 2,4,6-tri­methyl­benzene-1-sulfonyl chloride. The cyclo­hexyl and phenyl substituents are oriented gauche around the sulfonamide S-N bond. In the crystal, mol­ecules are linked via N-HN hydrogen bonds, forming chains propagating along [100]

Crystal Structure of a Polysamarium (III) Nitrate Chain Crosslinked by a Di-CMPO Ligand

In the title compound poly[aqua­bis­(-nitrato-4O,O\u27:O,O\u27\u27)tetra­kis­(nitrato-2O,O\u27){4-tetra­ethyl [(ethane-1,2-diyl)bis(aza­nedi­yl)bis­(2-oxo­ethane-2,1-di­yl)]di­phospho­nate-2O,O\u27}disamarium(III)], [Sm2(NO3)6(C14H30N2O8P2)(H2O)]n, a 12-coordinate SmIII and a nine-coordinate SmIII cation are alternately linked via shared bis-bidentate nitrate anions into a corrugated chain extending parallel to the a axis. The nine-coordinate SmIII atom of this chain is also chelated by a bidentate, yet flexible, carbamoyl­methyl­phoshine oxide (CMPO) ligand and bears one water mol­ecule. This water mol­ecule is hydrogen bonded to nitrate groups bonded to the 12-coordinate SmIII cation. The CMPO ligand, which lies about an inversion center, links neighboring chains along the c axis, forming sheets parallel to the ac plane. Hydrogen bonds between the amide NH group and metal-bound nitrate anions are also present in these sheets. The sheets are packed along the b axis through only van der Waals inter­actions

Dynamic Data Driven Methods for Self-aware Aerospace Vehicles

A self-aware aerospace vehicle can dynamically adapt the way it performs missions by gathering information about itself and its surroundings and responding intelligently. Achieving this DDDAS paradigm enables a revolutionary new generation of self-aware aerospace vehicles that can perform missions that are impossible using current design, flight, and mission planning paradigms. To make self-aware aerospace vehicles a reality, fundamentally new algorithms are needed that drive decision-making through dynamic response to uncertain data, while incorporating information from multiple modeling sources and multiple sensor fidelities.In this work, the specific challenge of a vehicle that can dynamically and autonomously sense, plan, and act is considered. The challenge is to achieve each of these tasks in real time executing online models and exploiting dynamic data streams–while also accounting for uncertainty. We employ a multifidelity approach to inference, prediction and planning an approach that incorporates information from multiple modeling sources, multiple sensor data sources, and multiple fidelities

When Programs Collide - A Panel Discussion on the Competing Interests of Analytics and Security

The increasing demand for business analytics and cybersecurity professionals provides an exciting job outlook for graduates of information systems programs. However, the rapid proliferation of devices and systems that has spurred this trend has created a challenging ethical dilemma for those responsible for educating future generations of IT professionals. Many firms are collecting and storing as much data as possible in the hopes that technology might uncover useful insights in the future. This results in an ever-increasing challenge for those charged with protecting organizational assets and exerts pressure on executives seeking an analytical edge to remain profitable in a hyper-competitive marketplace. With this dilemma in mind, the panel will search for a delicate balance between unleashing the power of analytics and securing the sensitive data it consumes. Keyword

When Programs Collide: A Panel Report on the Competing Interests of Analytics and Security

The increasing demand for business analytics and cybersecurity professionals provides an exciting job outlook for graduates of information systems programs. However, the rapid proliferation of devices and systems that spurred this trend has created a challenging ethical dilemma for the individuals responsible for educating future generations of information technology professionals. Many firms collect and store as much data as possible in the hope that technology might uncover useful insights in the future. This behavior results in an ever-increasing challenge for those charged with protecting organizational assets and exerts pressure on executives seeking an analytical edge to remain profitable in a hyper-competitive marketplace. With this dilemma in mind, a recent panel discussion at the 14th Annual Midwest Association for Information Systems Conference explored the delicate balance between unleashing the power of analytics and securing the sensitive data it consumes while respecting consumer privacy. This paper reports on that discussion and its insights

Parenteral administration of factor Xa/IIa inhibitors limits experimental aortic aneurysm and atherosclerosis

Intraluminal thrombus is a consistent feature of human abdominal aortic aneurysm (AAA). Coagulation factor Xa (FXa) catalyses FII to thrombin (FIIa). We examined the effect of FXa/FIIa inhibition on experimental aortic aneurysm in apolipoprotein E-deficient (ApoE−/−) mice infused with angiotensin II (AngII). The concentration of FXa within the supra-renal aorta (SRA) correlated positively with SRA diameter. Parenteral administration of enoxaparin (FXa/IIa inhibitor) and fondaparinux (FXa inhibitor) over 14 days reduced to severity of aortic aneurysm and atherosclerosis in AngII-infused ApoE−/− mice. Enteral administration of the FIIa inhibitor dabigatran had no significant effect. Aortic protease-activated receptor (PAR)-2 expression increased in response to AngII infusion. Fondaparinux reduced SRA levels of FXa, FIIa, PAR-2, matrix metalloproteinase (MMP)2, Smad2/3 phosphorylation,and MOMA-2 positive cells in the mouse model. FXa stimulated Smad2/3 phosphorylation and MMP2 expression in aortic vascular smooth muscle cells (VSMC) in vitro. Expression of MMP2 in FXastimulated VSMC was downregulated in the presence of a PAR-2 but not a PAR-1 inhibitor. These findings suggest that FXa/FIIa inhibition limits aortic aneurysm and atherosclerosis severity due to down-regulation of vascular PAR-2-mediated Smad2/3 signalling and MMP2 expression. Inhibition of FXa/FIIa may be a potential therapy for limiting aortic aneurysm

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

Emergency Medicine Research Directors and Research Programs: Characteristics and Factors Associated with Productivity

: Background: Periodic surveys of research directors (RDs) in emergency medicine (EM) are useful to assess the specialty's development and evolution of the RD role. Objectives: To assess associations between characteristics and research productivity of RDs and EM programs. Methods: A survey of EM RDs was developed using the nominal group technique and pilot tested. RDs or surrogate respondents at programs certified by the Accreditation Council for Graduate Medical Education were contacted by e-mail in early 2005. The survey assessed programs' research infrastructure and productivity, as well as RD characteristics, responsibilities, and career satisfaction. Three measures of research productivity were empirically defined: research publications, grant awards, and grant revenue. Results: Responses were received from 86% of 123 EM programs. Productivity was associated with the presence of nonclinical faculty, dedicated research coordinators, and reduced clinical hours for research faculty. Programs with an RD did not have greater research productivity, using any measure, than those without an RD. The majority of RDs cited pursuing their own studies, obtaining funding, research mentoring, and research administration to be major responsibilities. The majority characterized internal research funding, grant development support, and support from other faculty as inadequate. Most RDs are satisfied with their careers and expect to remain in the position for three or more years. Conclusions: Research productivity of EM residency programs is associated with the presence of dedicated research faculty and staff and with reduced clinical demands for research faculty. Despite perceiving deficiencies in important resources, most RDs are professionally satisfied.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/72908/1/j.aem.2006.01.027.pd

Simultaneously Bound Guests and Chiral Recognition: A Chiral Self-Assembled Supramolecular Host Encapsulates Hydrophobic Guests

Driven by the hydrophobic effect, a water-soluble, chiral, self-assembled supramolecular host is able to encapsulate hydrophobic organic guests in aqueous solution. Small aromatics can be encapsulated in the supramolecular assembly, and the simultaneous encapsulation of multiple guests is observed in many cases. The molecular host assembly is able to recognize different substitutional isomers of disubstituted benzenes with ortho substitution leading to the encapsulation of two guests, but meta or para substitution leading to the encapsulation of only one guest. The scope of hydrophobic guest encapsulation is further explored with chiral natural product guests. Upon encapsulation of chiral guests into the racemic host, diastereomeric host-guest complexes are formed with observed diastereoselectivities of up to 78:22 in the case of fenchone

Review and Unification of Methods for Computing Derivatives of Multidisciplinary Systems

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/97061/1/AIAA2012-1589.pd