MCP Server Proto-OKN

## Query Perfluorooctanoic acid (PFOA) is an environmental contaminant. What type of ADME and toxicology data are available in @biobrick-sparkl ## Model Sonnet 4.5 ## Response Based on my exploration, it appears that PFOA (Perfluorooctanoic acid) data in the BioBricks ICE knowledge graph is currently limited to only two datasets. Let me provide you with a summary of what's available: ## ADME and Toxicology Data Available for PFOA in BioBricks ICE Based on my exploration of the BioBricks ICE knowledge graph, here's what I found for **Perfluorooctanoic acid (PFOA, CAS: 335-67-1, DTXSID8031865)**: ### **ADME (Absorption, Distribution, Metabolism, Excretion) Data Available:** The BioBricks ICE KG contains ADME parameter data for PFOA from the httk (high-throughput toxicokinetics) package: 1. **Human Hepatic Intrinsic Clearance (Clint)** - Values: 0 and 1.644 μL/min/10⁶ cells - Indicates very low hepatic clearance in humans 2. **Human Plasma Fraction Unbound (Fu)** - Values: 0.002929 and 0.004779 (unitless) - Indicates very high plasma protein binding (~99.5-99.7%) 3. **Rat Hepatic Intrinsic Clearance (Clint)** - Available in the dataset 4. **Rat Plasma Fraction Unbound (Fu)** - Available in the dataset ### **Other Data Available:** - **Chemical Functional Use Categories**: Information about predicted functional uses of PFOA ### **Toxicology Data Status:** The knowledge graph contains the following toxicology dataset categories, but **PFOA does not appear to have data** in these datasets currently: - Cancer Data (IARC, IRIS, NTP, OPP carcinogenicity; genotoxicity) - DART (Developmental and Reproductive Toxicity) Data - Acute Oral/Dermal/Inhalation Toxicity Data - Endocrine (In Vitro and In Vivo) Data - Eye/Skin Irritation and Sensitization Data ### **Summary:** The BioBricks ICE knowledge graph currently provides **ADME pharmacokinetic parameters** for PFOA but appears to have **limited traditional toxicology endpoint data** for this compound within the structured knowledge graph itself. However, it does link to the EPA CompTox Dashboard (DTXSID8031865), which would contain more comprehensive toxicology information. Would you like me to search for PFOA data in other available knowledge graphs, or would you like more details about the ADME parameters that are available? ## Query ## Model Sonnet 4.5 ## Response Based on the data from the SPOKE knowledge graph, I've found comprehensive information about PFOA detection locations. Let me provide you with a summary of the key findings: ## **PFOA Detection Locations - Summary** **Total Detections:** PFOA (Perfluorooctanoic acid) has been detected in **1,734 locations** across the United States. ### **Top Counties with PFOA Detection:** The counties with the highest number of ZIP codes where PFOA has been detected include: 1. **Suffolk County** (Long Island, NY) - 84 ZIP codes 2. **Jefferson County** (multiple states) - 40 ZIP codes 3. **Broward County** (Florida) - 36 ZIP codes 4. **Sacramento County** (California) - 33 ZIP codes 5. **Monmouth County** (New Jersey) - 32 ZIP codes 6. **Tarrant County** (Texas) - 29 ZIP codes 7. **Los Angeles County** (California) - 27 ZIP codes 8. **Summit County** (Ohio) - 26 ZIP codes 9. **Dallas County** (Texas) - 24 ZIP codes 10. **Rockland County** (New York) - 24 ZIP codes ### **Geographic Distribution:** Based on the ZIP code patterns, PFOA contamination has been found across numerous states, including: - **Northeastern US:** Connecticut, Massachusetts, New Hampshire, New Jersey, New York, Pennsylvania, Rhode Island - **Mid-Atlantic:** Delaware, Maryland, Virginia - **Southern US:** Alabama, Florida, Georgia, North Carolina, South Carolina, Tennessee, Texas - **Midwest:** Indiana, Kentucky, Michigan, Ohio - **Western US:** Arizona, California, Nevada, Washington - **Puerto Rico** (ZIP codes starting with 00) The contamination is particularly widespread in: - **New Jersey** (extensive detection across multiple counties) - **New York** (especially Long Island/Suffolk County) - **Florida** (multiple southern counties) - **California** (various regions) - **North Carolina** (Robeson County and coastal areas) This data demonstrates that PFOA is a widespread environmental contaminant affecting communities across the entire United States, with particularly high concentrations in densely populated areas and regions with industrial activity. ## Query Perfluorooctanoic acid (PFOA) is an environmental contaminant. Find data about this compound in @sawgraph-sparql ## Model Sonnet 4.5 ## Response Summary of PFOA Data in SAWGraph I found comprehensive data about **perfluorooctanoic acid (PFOA)** in the SAWGraph knowledge graph! Here's what the data contains: ### **Key Findings:** **1. Data Volume:** - **20,387 total observations** of PFOA across the database - Data collected from **7,748 unique sampling locations** - Multiple PFOA variants tracked (PFOA, PFOA_A, PFOA_A_BR, PFOA_A_L) **2. Measurement Values:** - **Maximum concentration detected:** 36,000 ng/L (nanograms per liter) - **Minimum:** Non-detect (below detection limits) - Measurements include method detection limits (MDL) and reporting limits (RL) **3. Geographic Coverage:** - Primarily focused on **Maine** (based on the ME-EGAD data source) - Sample points include precise GPS coordinates (latitude/longitude) - Locations include various water systems, indicated by sample point types like "PWSW" (Public Water Supply Well) **4. Recent Observations (2024):** Sample measurements from various locations showing PFOA concentrations ranging from: - As low as 0.537 ng/L (187 Albion Rd) - As high as 180 ng/L (12 Silas Warren Drive) - Multiple measurements at addresses like Depot St, Main St, and various rural roads **5. Data Structure:** Each observation includes: - **Sample identification** and location - **Date/time** of collection and analysis - **Laboratory** that performed the analysis (e.g., lab "AA") - **Analysis method** (e.g., EPA Method 537M) - **Actual concentration values** with units - **Quality control** indicators (validation levels, detection/reporting limits) **6. Identifiers:** - PFOA has CAS number: 335-67-1 (represented as 335671 in the database) - Substance ID: 45285516 This knowledge graph provides detailed environmental monitoring data for PFOA contamination in water systems, which is valuable for tracking and managing this persistent environmental contaminant.