Chemodiversity and molecular plasticity: recognition processes as explored by property spaces.

In the last few years, a need to account for molecular flexibility in drug-design methodologies has emerged, even if the dynamic behavior of molecular properties is seldom made explicit. For a flexible molecule, it is indeed possible to compute different values for a given conformation-dependent property and the ensemble of such values defines a property space that can be used to describe its molecular variability; a most representative case is the lipophilicity space. In this review, a number of applications of lipophilicity space and other property spaces are presented, showing that this concept can be fruitfully exploited: to investigate the constraints exerted by media of different levels of structural organization, to examine processes of molecular recognition and binding at an atomic level, to derive informative descriptors to be included in quantitative structure--activity relationships and to analyze protein simulations extracting the relevant information. Much molecular information is neglected in the descriptors used by medicinal chemists, while the concept of property space can fill this gap by accounting for the often-disregarded dynamic behavior of both small ligands and biomacromolecules. Property space also introduces some innovative concepts such as molecular sensitivity and plasticity, which appear best suited to explore the ability of a molecule to adapt itself to the environment variously modulating its property and conformational profiles. Globally, such concepts can enhance our understanding of biological phenomena providing fruitful descriptors in drug-design and pharmaceutical sciences.

Comportamento produtivo de caupi em regimes irrigado e de sequeiro em Petrolina e Juazeiro

O caupi (Vigna unguiculata (L.) Walp.) é a cultura de grãos mais importante da região Semi-Árida brasileira. O objetivo deste trabalho foi avaliar a adaptabilidade e a estabilidade produtiva de 18 genótipos de caupi em regimes irrigado e de sequeiro, em quatro anos (1995 a 1998), nos Municípios de Petrolina, PE, e Juazeiro, BA. Os genótipos compuseram dois experimentos repetidos cinco vezes em delineamento de blocos casualizados, com quatro repetições. A produção de grãos foi corrigida por covariância no estande ideal de plantas e submetida a análises estatísticas. A presença de variações na fertilidade do solo, no manejo e no quadro pluviométrico, alterou o comportamento produtivo dos genótipos (P<0,01). O genótipo Balinha, selecionado e mantido por pequenos produtores, produziu 1.779 kg/ha em áreas irrigadas, comportamento, este, superior ou similar ao de cultivares das instituições de pesquisa. Em regime de sequeiro, os resultados indicam genótipos superiores, como a cultivar EPACE 10, com 1.343 kg/ha e a linhagem TE 901781F, com 1.176 kg/ha. A cultivar EPACE 11 apresentou bom comportamento produtivo, tanto em regime de sequeiro como em regime irrigado, com 1.497 kg/ha. Esses resultados indicam a necessidade do desenvolvimento de genótipos de caupi específicos para diferentes ambientes, com ênfase especial para áreas irrigadas.

Desempenho de ovinos e respostas de pastagens de Coastcross submetidas a regimes de desfolha sob lotação contínua

O objetivo deste estudo foi avaliar o desempenho de ovinos e as respostas de pastagens de Coastcross (Cynodon spp.) com quatro alturas de pasto (5, 10, 15 e 20 cm), em regime de lotação contínua, no período de agosto de 1998 a abril de 1999. As alturas de pasto foram alocadas às unidades experimentais, de acordo com um delineamento de blocos completos casualizados, com quatro repetições. As variáveis analisadas foram: valor nutritivo, composição morfológica da forragem coletada por simulação de pastejo e do perfil total do pasto, taxa de acúmulo de matéria seca, e desempenho animal. Os pastos apresentaram alto valor nutritivo da forragem pastejada, em ambas as estações do ano (primavera e verão), destacando-se os pastos de 5 cm, que apresentaram os melhores valores. As taxas de acúmulo de forragem foram maiores no verão, proporcionando, assim, maiores disponibilidades de forragem, e, conseqüentemente, desempenho animal mais elevado.

Iowa Historic Property Study of the Zeman Barn, 2009

The Zeman Barn (86-00028) is an early twentieth-century example of a gothic roofed barn and is part of the Zeman Farmstead located along U.S. Highway 30 in Otter Creek Township (Township 38N, Range 14W), Tama County, Iowa (Figures 1 and 2). The farmstead was initially evaluated in a reconnaissance architectural survey conducted in 1998 by The Louis Berger Group, Inc (Berger). An intensive architectural survey of the property by Berger’s Principal Architectural Historian, Martha H. Bowers, evaluated the farmstead as not being eligible for listing in the National Register of Historic Places (National Register) but noted that the barn appears to be eligible for listing in the National Register under Criterion C (Bowers 1998). At the request of the Iowa Department of Transportation, Berger completed the recordation project to provide a documentary record of the Zeman Barn in accordance with the guidelines set forth by the Iowa State Historic Preservation Office regarding historic property studies for barns. Background research for this project was conducted in September 2008 and April 2009. The property was inspected and photographed in May 2008. Information on the property was gathered through background research, interviews with Zeman family members, field investigation, and photo documentation. Historical maps of the project area were used to collect data necessary for developing regional and local historic contexts. The research for this report was conducted at the Tama County Courthouse and the Tama County Historical Museum Genealogical Library, both in Toledo. Much of the background research for the project was conducted by Camilla Deiber and Michael Dulle. Ms. Deiber also prepared the photographic documentation, plan drawings, and the graphics used in this report. Mr. Roger L. Ciuffo conducted interviews with Zeman family members and wrote this report.

Crescimento inicial do cafeeiro Rubi em resposta a doses de nitrogênio, fósforo e potássio e a regimes hídricos

O objetivo deste trabalho foi avaliar o crescimento da parte aérea do cafeeiro (Coffea arabica L.) cultivar Rubi MG 1192 submetido a três doses de N, P e K e dois regimes hídricos durante o primeiro ano após o transplante, em 20 de novembro de 2000. O crescimento da planta foi avaliado aos 134, 196, 236, 284, 334 e 383 dias após o transplante (dat). Houve resposta ao N e ao K no crescimento em número de ramos plagiotrópicos por planta, ao passo que no número de nós com gemas por planta, observou-se resposta apenas ao nitrogênio. Não houve resposta ao N, P e K no aumento da massa seca da parte aérea e no índice de área foliar. Além de mostrar efeito significativo no crescimento do cafeeiro, a irrigação antecipou o rápido crescimento para julho (236 dat) proporcionando plantas mais vigorosas. Nas plantas não-irrigadas, o rápido crescimento ocorreu em meados de outubro (334 dat). Entretanto, a irrigação não impediu a queda na taxa de crescimento durante o inverno. O desenvolvimento das gemas em frutos ou ramos secundários nas plantas não-irrigadas alterou a distribuição de matéria seca e reduziu o crescimento do caule, ramos e folhas.

Welfare regimes and change in the employment structure: Britain, Denmark and Germany since 1990

Welfare states are often reduced to their role as providers of social protection and redistribution. In 1990, Esping-Andersen argued that they also affect employment creation and the class structure. We analyse the stratification outcomes for three welfare regimes - Britain, Germany and Denmark - over the 1990s and 2000s. Based on individual-level surveys, we observe a disproportionate increase among professionals and managers, and a decline among production workers and clerks. The result is clear-cut occupational upgrading in Denmark and Germany. In Britain, high and low-end service jobs expanded, resulting in a polarized version of upgrading. Growth in low-end service jobs - and thus polarization - is no precondition for full employment. Both Britain and Denmark halved their low-educated unemployment rate between 1995 and 2008. Yet low-end service jobs expanded only in Britain, not in Denmark. The cause is the evolution of labour supply: rising educational attainment means that fewer low-educated workers look for low-skilled jobs.

Testing a large-scale forestry scenario model by means of successive inventories on a forest property

Abstract

Issue review : city property tax for fiscal year 2009.

This issue review provides fiscal year 2009 city taxable value, tax rate and property tax revenue statistics, with comparisons to FY 2008 and to FY 2001. A discussion of the impact of the residential rollback on the tax base of cities and the growth in tax increment financing, or TIF, is also included.

Formation of virus-like clusters is an intrinsic property of the tumor necrosis factor family member BAFF (B cell activating factor).

The oligomeric state of BAFF (B cell activing factor), a tumor necrosis factor (TNF) family cytokine that plays a critical role in B cell development and survival, has been the subject of recent debate. Myc-tagged BAFF starting at residue Gln136 was previously reported to crystallize as trimers at pH 4.5, whereas a histidine-tagged construct of BAFF, starting at residue Ala134, formed a virus-like cluster containing 60 monomers when crystallized at pH 9.0. The formation of the BAFF 60-mer was pH dependent, requiring pH &gt;or= 7.0. More recently, 60-mer formation was suggested to be artificially induced by the histidine tag, and it was proposed that BAFF, like all other TNF family members, is trimeric. We report here that a construct of BAFF with no amino-terminal tag (Ala134-BAFF) can form a 60-mer in solution. Using size exclusion chromatography and static light scattering to monitor trimer to 60-mer ratios in BAFF preparations, we find that 60-mer formation is pH-dependent and requires histidine 218 within the DE loop of BAFF. Biacore measurements established that the affinity of Ala134-BAFF for the BAFF receptor BAFFR/BR3 is similar to that of myc-Gln136-BAFF, which is exclusively trimeric in solution. However, Ala134-BAFF is more efficacious than myc-Gln136-BAFF in inducing B cell proliferation in vitro. We additionally show that BAFF that is processed and secreted by 293T cells transfected with full-length BAFF, or by a histiocytic lymphoma cell line (U937) that expresses BAFF endogenously, forms a pH-dependent 60-mer in solution. Our results indicate that the formation of the 60-mer in solution by the BAFF extracellular domain is an intrinsic property of the protein, and therefore that this more active form of BAFF may be physiologically relevant.

Iowa Historic Property Study: Iowa-Illinois Memorial Bridge Carrying I-74 and U.S. 6 over Mississippi River between Bettendorf, Scott County, Iowa and Moline, Rock Island County, Illinois, 2012

The 1935 Iowa-Illinois Memorial Bridge is being documented at this time to fulfill the requirements of the Memorandum of Agreement regarding the removal of the Iowa-Illinois Memorial Bridge and the Iowana Farms Milk Company Building for the proposed improvements to Interstate 7 4 in Bettendorf, Iowa, and Moline, Illinois.1 The 1959 twin suspension bridge will be removed as well, but it was determined to be ineligible for the National Register of Historic Places. Discussion of the history of the 1959 twin span is included, however, in the current report as part of the overall history of the Iowa-Illinois Memorial Bridge. Fieldwork for the documentation occurred in November 2009 and October 2010 (Fig. 1). Limitations on photography included limited shoreline access on the Illinois side, making good views of the bridge from the south somewhat challenging. Also, photographs on the bridge deck were not possible because of interstate traffic and prohibitions on pedestrian traffic. Within the last few years, online primary sources have proliferated, along with historical materials regarding the Iowa-Illinois Memorial Bridge. Sources available online for this report included numerous historical photographs, as well as historical Davenport, Iowa, and U.S. newspapers that document the bridge planning and construction. Additional primary source material was found at the University of Iowa Libraries, the State Historical Society of Iowa in Iowa City, the Bettendorf Public Library, the Richardson-Sloane Special Collections Center at the Davenport Public Library, and the Iowa State University Special Collections in Ames.

Iowa Historic Property Study: Iowana Farms Milk Company, 1416 State Street, City of Bettendorf, Scott County, Iowa, 2012

The Iowana Farms Milk Company factory building was considered to retain sufficient integrity and possess sufficient significance to be considered eligible for the National Register of Historic Places under Criteria A and C for its historical and architectural significance in the Bettendorf community. The Iowana Farms Milk Company was an important early to mid-twentieth-century business in Bettendorf, and was among the few that was not owned or operated by the Bettendorf Company. It was a strong and thriving business for many years, and its products were well known in the Quad Cities region. The importance of this property becomes even more significant when one considers that most of the buildings once associated with the actual Bettendorf Company, which was undeniably the most important business and industry in town, are now gone. As a result, the Iowana Farms Milk Company factory building was a physical vestige of the once-thriving commercial industries that made Bettendorf into a city in the twentieth century. This property was further significant for its representation of the evolution of the dairy industry in the twentieth century from farm to factory production. It also reflected the changes to the industry based on scientific discoveries, mechanical innovations, and governmental regulations related to improved sanitation and the pure milk movement. The Iowana Farms Milk Company represented a model plant for the time, and the marketing strategies it employed followed the trends of the industry. The Iowana Farms Milk Company plant had to be removed to make room for a new I-74 bridge over the Mississippi River at Bettendorf. The construction of the new bridge also required removal of the historic Iowa-Illinois Memorial Bridge. The documentation reported herein and for that of the Iowa-Illinois Memorial Bridge fulfills the requirements of the Memorandum of Agreement regarding the removal of these historic properties.

Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis.

OBJECTIVES: This study aimed at measuring the lipophilicity and ionization constants of diastereoisomeric dipeptides, interpreting them in terms of conformational behavior, and developing statistical models to predict them. METHODS: A series of 20 dipeptides of general structure NH(2) -L-X-(L or D)-His-OMe was designed and synthetized. Their experimental ionization constants (pK(1) , pK(2) and pK(3) ) and lipophilicity parameters (log P(N) and log D(7.4) ) were measured by potentiometry. Molecular modeling in three media (vacuum, water, and chloroform) was used to explore and sample their conformational space, and for each stored conformer to calculate their radius of gyration, virtual log P (preferably written as log P(MLP) , meaning obtained by the molecular lipophilicity potential (MLP) method) and polar surface area (PSA). Means and ranges were calculated for these properties, as was their sensitivity (i.e., the ratio between property range and number of rotatable bonds). RESULTS: Marked differences between diastereoisomers were seen in their experimental ionization constants and lipophilicity parameters. These differences are explained by molecular flexibility, configuration-dependent differences in intramolecular interactions, and accessibility of functional groups. Multiple linear equations correlated experimental lipophilicity parameters and ionization constants with PSA range and other calculated parameters. CONCLUSION: This study documents the differences in lipophilicity and ionization constants between diastereoisomeric dipeptides. Such configuration-dependent differences are shown to depend markedly on differences in conformational behavior and to be amenable to multiple linear regression. Chirality 24:566-576, 2012. © 2012 Wiley Periodicals, Inc.

Health consultation : Contamination of sump within residential property, Carroll County, Iowa (2007)

The Iowa Department of Natural Resources (IDNR) has been involved in an investigation surrounding the appearance of an unknown oil within the sump in the basement of a residence in Carroll, Iowa. The IDNR has requested the Iowa Department of Public Health (IDPH) to prepare a health consultation regarding their investigation. The IDPH, in cooperation with the Agency for Toxic Substances and Disease Registry (ATSDR), prepared this health consultation to review the current status of the IDNR investigation and to provide an evaluation of the public health implications of exposure to the unknown oil within the sump. The information in this health consultation was current at the time of writing. Data that emerges later could alter this document’s conclusions and recommendations.

Do geographic distribution, niche property and life form explain plants' vulnerability to global change?

We modelled the future distribution in 2050 of 975 endemic plant species in southern Africa distributed among seven life forms, including new methodological insights improving the accuracy and ecological realism of predictions of global changes studies by: (i) using only endemic species as a way to capture the full realized niche of species, (ii) considering the direct impact of human pressure on landscape and biodiversity jointly with climate, and (iii) taking species' migration into account. Our analysis shows important promises for predicting the impacts of climate change in conjunction with land transformation. We have shown that the endemic flora of Southern Africa on average decreases with 41% in species richness among habitats and with 39% on species distribution range for the most optimistic scenario. We also compared the patterns of species' sensitivity with global change across life forms, using ecological and geographic characteristics of species. We demonstrate here that species and life form vulnerability to global changes can be partly explained according to species' (i) geographical distribution along climatic and biogeographic gradients, like climate anomalies, (ii) niche breadth or (iii) proximity to barrier preventing migration. Our results confirm that the sensitivity of a given species to global environmental changes depends upon its geographical distribution and ecological proprieties, and makes it possible to estimate a priori its potential sensitivity to these changes.