Minnesota functionals

Meta-GGA functionals incorporate the Laplacian of the electron density and generally depend on the electron kinetic energy density. These features allow a systematic improvement of results for many quantum chemical calculations. We have used the exchange functional BR89 (Becke-Roussel 1989 represented in analytic form) [87,90] and the correlation functional B94 (Becke 1994) [90, 91]. Minnesota functionals tested are M05 [92], M05-2X [93], M06-L [94], M06-HF [95], M06 [96], M06-2X [96], and Ml 1 [97]. Another global hybrid studied is BMK [98]. A hybrid extension of the nonempirical exchange-correlation TPSS (Tao, Perdew, Staroverov, and Scuseria) [99] and functional TPSSh [100] is also examined. 

Meta-CCA Functionals These contain in addition higher derivatives of the density, for example, the Laplacian V p(r), or essentially equivalently, the orbital kinetic energy density r (hence the prefix T in some DF acronyms). Calculation of the kinetic energy density does not require much additional computational efforts but a finer than usual grid is recommended. Examples of meta-GGAs are t-HGTH [43], VSXC [44], the TPSS family [45] and the Minnesota functionals M06-L and the dual-range Mll-L [46]. 

Mielke HW, Adams JL, Reagan PL, et al. 1989. Soil-dust lead and childhood lead exposure as a function of city size and community traffic flow The case for lead abatement in Minnesota. Environ Chem Health 9(Supp) 253-271. 

Because of concern about possible residual effects on personality profile or cognitive function, we not only gave the MMPI (Minnesota Multiphasic Personality Inventory) and IQ tests prior to selection but also repeated them one and six months post-exposure. Although there were a few differences in the MMPI scale scores one month post-test, they were close to the pre-test values when the Inventory was repeated five months later. 

In the single field study (Cozzarelliera/., 1990) where Fe(III) likely functioned as the predominant terminal electron acceptor, o-toluic acid was speculated to be an oxidized product of o-xylene decomposition at the Bemidji, Minnesota, aquifer site. This study provides presumptive evidence that o-xylene can be degraded under iron-reducing conditions. 

LIPSCOMB. WILLIAM N. l 1919—). An American chemist who won the Nobel prize fur chemistry in 1976 for his studies on ihe structure and bonding mechanisms of borancs. Much ol Hie research concerned structure and function of enzymes and natural products in organic and theoretical chemistry. He studied at (he Universities of Kentucky. California, and Minnesota. 

Brunetti, G., Plaza, C., Clapp, C. E., and Senesi, N. (2007b). Compositional and functional features of humic acids from organic amendments and amended soils in Minnesota, USA. Soil Biol. Biochem., doi 10.1016/j.soilbio.2006.12.012. 

To evaluate aspects of HRQL that are specific to a particular disease or condition, specific measures also may be used. Specific measures include only important aspects of HRQL that are relevant to the patients being studied, such as the loss of function patients experience from asthma or the amount of pain they have from arthritis. Disadvantages of using specific measures are that they are not comprehensive and cannot be used to compare across conditions. They also cannot measure unforeseen side effects or conditions. Examples of specific instruments for heart failure are the Minnesota Living with Heart Failure Questionnaire and the Chronic Heart Failure Questionnaire (Guyatt et al., 1989 Rector, Kubo, and Cohn, 1987). 

Another resource derived from BLOCKS and PRINTS is IDENTIFY, which, instead of encoding the exact information at each position in an alignment, tolerates alternative residues according to a set of prescribed groupings of related biochemical properties. IDENTIFY and its search software, eMOTIF (Huang and Brutlag, 2001), are accessible for use from the protein function Web server of the Biochemistry Department at Stanford University, http //dna.Stanford.edu/identify/. PANAL (http //mgd.ahc.umn.edu/panal/run panal.html) of Computational Biology Centers at the University of Minnesota is a combined resource for ProSite, BLOCKS, PRINTS, and Pfam (Bateman et al., 2000). 

Fig. 4.5 John Emmett Ellis (born in 1943), a native of California, received his Ph.D. in 1971 from MIT under the direction of Alan Davison who opened his eyes to the challenge and wonder of inorganic syntheses (J. E. E.). In 1971, John joined the faculty at the University of Minnesota, where he is Professor of Chemistry since 1984. His recent honors include a Humboldt Senior Scientist Award, spent in Wolfgang Beck s group in Miinchen, and the F. Albert Cotton Award in Synthetic Inorganic Chemistry for his studies on the synthesis and characterization of compounds containing d-block elements in their lowest known formal oxidation states. John s research also includes investigations on the reactions of polyarene radical anions with high-valent transition metal precursors as a route to new classes of homoleptic polyarene metal species, in particular anionic ones. Those species can function as highly reactive sources of naked metal anions which previously had only been detected in the gas phase (photo by courtesy of J. E. E.)...

For ancient chemogenic cherts, including cherts from the BIF of Gunflint, Ontario, and Biwabik, Minnesota, Perry (1967) established a functional relationship between the of silica and the time of deposition. On this basis it was concluded that the waters of the ancient ocean were depleted in the heavy oxygen isotope, and that the 5 0 value was about — 10 to — 12%o for the Proterozoic and up to — 18%o for the Archean (compared to the oxygen of recent ocean water, SMOW standard). 

Weitekamp MR, Holmes P, Walker ME. A double blind study on the effects of cefoperazone (CPZ), ceftizoxime (CTZ), moxalactam (MOX) on platelet function and prothrombin time in normal volunteers. In Abstracts, 25th Interscience Conference on Antimicrobial Agents and Chemotherapy. Minneapohs, Minnesota, 1985 959. 

Figure 2. High resolution NMR spectrum of C-2 and C-6 labeled 2,4-dichlorophenol enzymatically bound to a Minnesota Peat humic acid. The signals due to unreacted C-labeled 2,4-dichlorophenol are indicated on the spectra and the asterisk identifies the appropriate labeled carbon. The remaining signals in the spectrum result from the covalent binding of C-labeled carbons of DCP to functional groups in the humic acid and to other DCP molecules. (7)...

Professor of Laboratory Medicine Sr Pathology University of Minnesota School of Medicine Minneapolis, Minnesota Cardiac Function... 

While the effects of /3-blockers on survival prolongation and left ventricular reverse remodeling could be argued to be greater than those of any other drugs used in heart failure, this is not the case for their symptomatic benefits. Many, but not all studies, have shown improvements in the NYHA functional class, patient symptom scores or quality-of-life assessments (such as the Minnesota Living with Heart Failure Questionnaire), and exercise performance, as assessed by the 6-minute walk test. Thus it is important to educate patients that they will not necessarily notice dramatic symptomatic improvements with /3-blocker therapy. However, even in the absence of symptomatic... 

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