CHLOROPHYLL ALGORITHMS FOR OCEAN COLOR SENSORS - OC4, OC5 & OC6.

A high degree of consistency and comparability among chlorophyll algorithms is necessary to meet the goals of merging data from concurrent overlapping ocean color missions for increased coverage of the global ocean and to extend existing time series to encompass data from recently launched missions and those planned for the near future, such as PACE, OLCI, HawkEye, EnMAP and SABIA-MAR. To accomplish these goals, we developed 65 empirical ocean color (OC) maximum band ratio (MBR) algorithms for 25 satellite instruments using the largest available and most globally representative database of coincident in situ chlorophyll a and remote sensing reflectances. Excellent internal consistency was achieved across these OC 'Version -7' algorithms, as demonstrated by a median regression slope and coefficient of determination (R2) of 0.985 and 0.859, respectively, between 903 pairwise comparisons of OC-modeled chlorophyll. SeaWiFS and MODIS-Aqua satellite-to-in situ match-up results indicated equivalent, and sometimes superior, performance to current heritage chlorophyll algorithms. During the past forty years of ocean color research the violet band (412 nm) has rarely been used in empirical algorithms to estimate chlorophyll concentrations in oceanic surface water. While the peak in chlorophyll-specific absorption coincides with the 443 nm band present on most ocean color sensors, the magnitude of chlorophyll-specific absorption at 412 nm can reach upwards of ~70% of that at 443 nm. Nearly one third of total chlorophyll-specific absorption between 400 and 700 nm occurs below 443 nm, suggesting that bands below 443 nm, such as the 412 nm band present on most ocean color sensors, may also be useful in detecting chlorophyll under certain conditions and assumptions. The 412 nm band is also the brightest band (that is, with the most dominant magnitude) in remotely sensed reflectances retrieved by heritage passive ocean color instruments when chlorophyll is less than ~0.1 mg m-3, which encompasses ~24% of the global ocean. To attempt to exploit this additional spectral information, we developed two new families of OC algorithms, the OC5 and OC6 algorithms, which include the 412 nm band in the MBR. By using this brightest band in MBR empirical chlorophyll algorithms, the highest possible dynamic range of MBR may be achieved in these oligotrophic areas. The terms oligotrophic, mesotrophic, and eutrophic get frequent use in the scientific literature to designate trophic status; however, quantitative definitions in terms of chlorophyll levels are arbitrarily defined. We developed a new, reproducible, bio-optically based index for trophic status based on the frequency of the brightest, maximum band in the MBR for the OC6_SEAWIFS algorithm, along with remote sensing reflectances from the entire SeaWiFS mission. This index defines oligotrophic water as chlorophyll less than ~0.1 mg m-3, eutrophic water as chlorophyll above 1.67 mg m-3 and mesotrophic water as chlorophyll between 0.1 and 1.67 mg m-3. Applying these criteria to the 40-year mean global ocean chlorophyll data set revealed that oligotrophic, mesotrophic, and eutrophic water occupy ~24%, 67%, and 9%, respectively, of the area of the global ocean on average.

Novel pentadecenyl tetrazole enhances susceptibility of methicillin-resistant Staphylococcus aureus biofilms to gentamicin.

One method that bacteria employ to reduce their susceptibility to antibiotics is the formation of biofilms. We developed a robust 6-well plate biofilm assay to evaluate early-stage discovery compounds against methicillin-resistant Staphylococcus aureus (MRSA). Tissue culture-treated 6-well plates were selected for this assay because they facilitate the adherence of MRSA and enable accurate determination of the number of CFU in each well. The MRSA biofilms formed in this assay exhibit increased tolerances to clinically used antibiotics. Using this biofilm assay, we identified a novel potentiator of gentamicin against MRSA biofilms. The combination of gentamicin and pentadecenyl tetrazole is superior to clinically used MRSA antibiotics against these MRSA biofilms. This novel combination also exhibits synergistic effects on MRSA planktonic cells. This plant-derived compound reveals promise for its effectiveness and warrants further lead optimization as an antibiotic and aminoglycoside potentiator.

Modeling the dynamics of continental shelf carbon.

Continental margin systems are important contributors to global nutrient and carbon budgets. Effort is needed to quantify this contribution and how it will be modified under changing patterns of climate and land use. Coupled models will be used to provide projections of future states of continental margin systems. Thus, it is appropriate to consider the limitations that impede the development of realistic models. Here, we provide an overview of the current state of modeling carbon cycling on continental margins as well as the processes and issues that provide the next challenges to such models. Our overview is done within the context of a coupled circulation-biogeochemical model developed for the northeastern North American continental shelf region. Particular choices of forcing and initial fields and process parameterizations are used to illustrate the consequences for simulated distributions, as revealed by comparisons to observations using quantitative statistical metrics.

Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring.

Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta are supportive of this approach to improve selectivity in this structural class.

Acyl sulfonamide anti-proliferatives. Part 2: activity of heterocyclic sulfonamide derivatives.

The anti-proliferative activity of acylated heterocyclic sulfonamides is described in Vascular Endothelial Growth Factor-dependent Human Umbilical Vascular Endothelial Cells (VEGF-HUVEC) and in HCT116 tumor cells in a soft agar diffusion assay.

Design, synthesis and evaluation of bicyclic benzamides as novel 5-HT1F receptor agonists.

Several fused bicyclic systems have been investigated to serve as the core structure of potent and selective 5-HT1F receptor agonists. Replacement of the indole nucleus in 2 with indazole and 'inverted' indazole provided more potent and selective 5-HT1F receptor ligands. Indoline and 1,2-benzisoxazole systems also provided potent 5-HT1F receptor agonists, and the 5-HT1A receptor selectivity of the indoline- and 1,2-benzisoxazole-based 5-HT1F receptor agonists could be improved with modification of the benzoyl moiety of the benzamides. Through these studies, we found that the inherent geometries of the templates, not the nature of hybridization of the linking atom, were important for the 5-HT1F receptor recognition.

Acyl sulfonamide anti-proliferatives: benzene substituent structure-activity relationships for a novel class of antitumor agents.

Two closely related diaryl acylsulfonamides were recently reported as potent antitumor agents against a broad spectrum of human tumor xenografts (colon, lung, breast, ovary, and prostate) in nude mice. Especially intriguing was their activity against colorectal cancer xenografts. In this paper, rapid parallel synthesis along with traditional medicinal chemistry techniques were used to quickly delineate the structure-activity relationships of the substitution patterns in both phenyl rings of the acylsufonamide anti-proliferative scaffold. Although the molecular target of the compounds remains unclear, we determined that the vascular endothelial growth factor-dependent human umbilical vein endothelial cells assay in combination with a soft agar disk diffusion assay allowed for optimization of potency in the series. The pharmacokinetic properties and in vivo activity in an HCT116 xenograft model are reported for representative compounds.

NOAA-NASA Coastal Zone Color Scanner reanalysis effort.

Satellite observations of global ocean chlorophyll span more than two decades. However, incompatibilities between processing algorithms prevent us from quantifying natural variability. We applied a comprehensive reanalysis to the Coastal Zone Color Scanner (CZCS) archive, called the National Oceanic and Atmospheric Administration and National Aeronautics and Space Administration (NOAA-NASA) CZCS reanalysis (NCR) effort. NCR consisted of (1) algorithm improvement (AI), where CZCS processing algorithms were improved with modernized atmospheric correction and bio-optical algorithms and (2) blending where in situ data were incorporated into the CZCS AI to minimize residual errors. Global spatial and seasonal patterns of NCR chlorophyll indicated remarkable correspondence with modern sensors, suggesting compatibility. The NCR permits quantitative analyses of interannual and interdecadal trends in global ocean chlorophyll.