Utilizing Structure Property Correlations to Predict and Analyze Two Derivatives of an Ampicillin Homologous Series

Structure Property Correlation methods such as regression analysis and pattern recognition are applied to predict the molecular properties of two members of an ampicillin homologous series. The pentyl and hexyl esters of ampicillin are also evaluated for their similarity to other penicillins by use of multiple regression, contingency tables, cluster analysis, correspondence analysis, self organizing tree algorithms, factor analysis, principal component analysis, box plots, and other graphing methods. Other members of the homologous series include methyl, ethyl, propyl, and butyl esters of ampicillin which have been previously synthesized and tested in tissue culture against Escherichia coli. All of the tested esters of ampicillin significantly inhibited penicillin susceptible and ampicillin resistant bacteria, as well as streptomycin resistant bacteria. Drug homologous series has been observed with other antibiotics and medicinal compounds. Homologous series activity is a trend observed for ampicillin by graphing the reciprocal equi-effective concentrations versus the number of carbons comprising the ester group. Regression analysis and contingency tables predict the molecular properties of the hexyl and pentyl esters, while cluster analysis, factor analysis, correspondence analysis, principal component analysis, and tree algorithms correlate them to the parent ampicillin and other members of the ß - lactam class of antibiotics. This work demonstrates the effectiveness of applying numerical analysis methods to drug design and development

Gerrymandering in Redlands, California

In April 2016, the City of Redlands, California, began the process of creating council electoral districts to comply with voting rights acts and avoid litigation. Several maps prepared by a consultant were being considered when, in May 2017, a group of graduate students from the University of Redlands produced this map. The Council agreed that this map was as good as or better than the consultant’s maps, but it was too late to consider a new map giving the legislative requirements. It will be considered after the 2018 elections

Processing and Transmission of Information

Contains reports on three research projects

Fecal Bacteria Survival and Infiltration through a Shallow Agricultural Soil: Timing and Tillage Effects

Human and livestock exposure to fecal pathogens via contaminated surface or groundwater is an important water quality concern for soils receiving animal wastes. The effects of manure application timing (spring or fall application) and soil management (no-tillage or conservation tillage) on fecal bacteria infiltration through shallow karst soils in central Kentucky (the Bluegrass region) have not been evaluated. We performed a field experiment to measure fecal coliforms and fecal streptococci in leachate from dairy manure-amended no-tillage and conservation tillage soils. Manure significantly increased fecal bacteria in leachate compared with unmanured treatments. After manure application, the leachate that collected in zero-tension lysimeters 90 cm below the soil surface contained up to 6 × 104fecal coliforms/100 mL and generally exceeded 3 × 103 fecal coliforms/100 mL. Neither the timing nor the tillage method significantly affected fecal coliform concentrations in leachate. Fecal bacteria in leachate declined to nondetectable levels within 60 d of manure application. In the well structured soil used in this experiment, fecal bacteria moved below the crop root zone whenever there was rainfall of sufficient duration or intensity to cause flow after manure application. Manure application to no-tillage soil in spring did not accelerate water contamination by fecal coliforms relative to fall manure applications. No-tillage did not accelerate water contamination by fecal coliforms relative to tilled soils. The potential for groundwater contamination depended on soil structure and water flow more than on fecal bacteria survival at the soil surface

The 1.14 Å Crystal Structure of Yeast Cytosine Deaminase Evolution of Nucleotide Salvage Enzymes and Implications for Genetic Chemotherapy

AbstractCytosine deaminase (CD) catalyzes the deamination of cytosine and is only present in prokaryotes and fungi, where it is a member of the pyrimidine salvage pathway. The enzyme is of interest both for antimicrobial drug design and gene therapy applications against tumors. The structure of Saccharomyces cerevisiae CD has been determined in the presence and absence of a mechanism-based inhibitor, at 1.14 and 1.43 Å resolution, respectively. The enzyme forms an α/β fold similar to bacterial cytidine deaminase, but with no similarity to the α/β barrel fold used by bacterial cytosine deaminase or mammalian adenosine deaminase. The structures observed for bacterial, fungal, and mammalian nucleic acid deaminases represent an example of the parallel evolution of two unique protein folds to carry out the same reaction on a diverse array of substrates

The Structure of a Bacterial DUF199/WhiA Protein: Domestication of an Invasive Endonuclease

SummaryProteins of the DUF199 family, present in all Gram-positive bacteria and best characterized by the WhiA sporulation control factor in Streptomyces coelicolor, are thought to act as genetic regulators. The crystal structure of the DUF199/WhiA protein from Thermatoga maritima demonstrates that these proteins possess a bipartite structure, in which a degenerate N-terminal LAGLIDADG homing endonuclease (LHE) scaffold is tethered to a C-terminal helix-turn-helix (HTH) domain. The LHE domain has lost those residues critical for metal binding and catalysis, and also displays an extensively altered DNA-binding surface as compared with homing endonucleases. The HTH domain most closely resembles related regions of several bacterial sigma70 factors that bind the −35 regions of bacterial promoters. The structure illustrates how an invasive element might be transformed during evolution into a larger assemblage of protein folds that can participate in the regulation of a complex biological pathway

Fertilizer, Tillage, and Dairy Manure Contributions to Nitrate and Herbicide Leaching

Few studies have examined the water quality impact of manure use in no-tillage systems. A lysimeter study in continuous corn (Zea mays L.) was performed on Maury silt loam (fine, mixed, semiactive, mesic Typic Paleudalf) to evaluate the effect(s) of tillage (no-till [NT] and chisel-disk [CD]), nitrogen fertilizer rate (0 and 168 kg N ha−1), and dairy manure application timing (none, spring, fall, or fall plus spring) on NO3–N, atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine), and alachlor [2-chloro-2′-6′-diethyl-N-(methoxymethyl)acetanilide] concentrations in leachate collected at a 90-cm depth. Herbicides were highest immediately after application, declining to less than 4 μg L−1 in about two months. Manure and manure timing by tillage interactions had little effect on leachate herbicides; rather, the data suggest that macropores rapidly transmitted atrazine and alachlor through the soil. Tillage usually did not significantly affect leachate NO3–N, but no-tillage tended to cause higher NO3–N. Manuring caused higher NO3–N concentrations; spring manuring had more impact than fall, but fall manure contained about 78% of the N found in spring manure. Nitrate under spring “only fertilizer” treatment exceeded 10 mg L−138% of the time, compared with 15% for spring only manure treatment. After three years, manured soil leachate NO3–N exceeded that for soil receiving only N fertilizer. Soil profile (90 cm) NO3–N after corn harvest exceeding 22 kg N ha−1 was associated with winter leachate NO3–N greater than 10 mg N L−1 Manure can be used effectively in conservation tillage systems on this and similar soils. Accounting for all N inputs, including previous manure applications, will be important

Fertilizer, Tillage, and Dairy Manure Contributions to Nitrate and Herbicide Leaching

Few studies have examined the water quality impact of manure use in no-tillage systems. A lysimeter study in continuous corn (Zea mays L.) was performed on Maury silt loam (fine, mixed, semiactive, mesic Typic Paleudalf) to evaluate the effect(s) of tillage (no-till [NT] and chisel-disk [CD]), nitrogen fertilizer rate (0 and 168 kg N ha−1), and dairy manure application timing (none, spring, fall, or fall plus spring) on NO3–N, atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine), and alachlor [2-chloro-2′-6′-diethyl-N-(methoxymethyl)acetanilide] concentrations in leachate collected at a 90-cm depth. Herbicides were highest immediately after application, declining to less than 4 μg L−1 in about two months. Manure and manure timing by tillage interactions had little effect on leachate herbicides; rather, the data suggest that macropores rapidly transmitted atrazine and alachlor through the soil. Tillage usually did not significantly affect leachate NO3–N, but no-tillage tended to cause higher NO3–N. Manuring caused higher NO3–N concentrations; spring manuring had more impact than fall, but fall manure contained about 78% of the N found in spring manure. Nitrate under spring “only fertilizer” treatment exceeded 10 mg L−138% of the time, compared with 15% for spring only manure treatment. After three years, manured soil leachate NO3–N exceeded that for soil receiving only N fertilizer. Soil profile (90 cm) NO3–N after corn harvest exceeding 22 kg N ha−1 was associated with winter leachate NO3–N greater than 10 mg N L−1 Manure can be used effectively in conservation tillage systems on this and similar soils. Accounting for all N inputs, including previous manure applications, will be important

Infiltration of Fecal Bacteria Through Soils: Timing and Tillage Effects

Land-applying animal wastes potentially exposes humans and animals to fecal pathogens, either by direct contact with soil and produce, or via ground water contamination. Some of these organisms are Salmonella, certain pathogenic Escherichia coli strains, protozoa such as Cryptosporidium and Giardia, and enteric viruses. Whether soil adequately filters these pathogens before they reach ground water depends on the interaction of porosity, texture, depth, water content, rainfall intensity and duration, and soil management