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The analytical and data processing methodology have been described in Wozniak et al. (2013, 2015). The full citations for these references are below. A summary of the methods is quoted here:
Aerosol WSOM was minimally diluted with D2O and analyzed on a Bruker Biospin Avance III 400 MHz NMR with a broadband inverse solution state probe at ODU’s College of Sciences Major Instrumentation Cluster facility using a water suppression technique described previously (e.g., Wozniak et al., 2013). WSOM samples were diluted to a final composition of 9:1 sample:D2O and 500 µL of this solution was added to 5 mm glass NMR tubes and analyzed without further manipulation. Spectra were acquired using a 2 s recycle delay, a 119 ms acquisition time, a time domain of 16 k, and co-adding 8000 scans. The summed free induction decay signal was exponentially multiplied and zero-filled once. The spectra were processed with a line broadening of 3 Hz.

* During data processing for publications from this work (Wozniak et al., 2013, 2015), spectral chemical shifts corresponding to potential solvent interferences from hydrogens in residual water (region excluded: 4.6 ppm to 4.8 ppm), methanol (region excluded: 3.28 ppm to 3.46 ppm), and tetramethylsilane (region excluded: <0.095 ppm) were set to 0. The data archived here do not have these sections set to 0.

** The data for samples 7587, 8044, and 8045 have been flagged as bad and are not included here. Multiple attempts were made to rerun these samples, but adequate spectra were not obtained.

References:
Wozniak, A. S., R. L. Sleighter, H. Abdulla, A. S. Priest, P. L. Morton, R. U. Shelley, W. M. Landing, and P. G. Hatcher. 2013. Relationships among aerosol water soluble organic matter, iron and aluminum in European, North African, and Marine air masses from the 2010 US GEOTRACES cruise. Marine Chemistry, 154, 24-33. doi:10.1016/j.marchem.2013.04.011

Wozniak, A. S., R. U. Shelley, S. M. McElhenie, A. S. Willoughby, W. M. Landing, P. G. Hatcher. 2015. Insights into potential Fe-binding aerosol water soluble organic ligands from the 2011 US GEOTRACES cruise. Marine Chemistry, 173, 162-172, doi:10.1016/j.marchem.2014.11.002

1d:T12bf,Much of this text appeared in an article published in OCB News, October 2008, by the OCB Project Office. The first U.S. GEOTRACES Atlantic Section will be specifically centered around a sampling cruise to be carried out in the North Atlantic in 2010. Ed Boyle (MIT) and Bill Jenkins (WHOI) organized a three-day planning workshop that was held September 22-24, 2008 at the Woods Hole Oceanographic Institution. The main goal of the workshop, sponsored by the National Science Foundation and the U.S. GEOTRACES Scientific Steering Committee, was to design the implementation plan for the first U.S. GEOTRACES Atlantic Section. The primary cruise design motivation was to improve knowledge of the sources, sinks and internal cycling of Trace Elements and their Isotopes (TEIs) by studying their distributions along a section in the North Atlantic (Figure 1). The North Atlantic has the full suite of processes that affect TEIs, including strong meridional advection, boundary scavenging and source effects, aeolian deposition, and the salty Mediterranean Outflow. The North Atlantic is particularly important as it lies at the "origin" of the global Meridional Overturning Circulation. It is well understood that many trace metals play important roles in biogeochemical processes and the carbon cycle, yet very little is known about their large-scale distributions and the regional scale processes that affect them. Recent advances in sampling and analytical techniques, along with advances in our understanding of their roles in enzymatic and catalytic processes in the open ocean provide a natural opportunity to make substantial advances in our understanding of these important elements. Moreover, we are motivated by the prospect of global change and the need to understand the present and future workings of the ocean's biogeochemistry. The GEOTRACES strategy is to measure a broad suite of TEIs to constrain the critical biogeochemical processes that influence their distributions. In addition to these "exotic" substances, more traditional properties, including macronutrients (at micromolar and nanomolar levels), CTD, bio-optical parameters, and carbon system characteristics will be measured. The cruise starts at Line W, a repeat hydrographic section southeast of Cape Cod, extends to Bermuda and subsequently through the North Atlantic oligotrophic subtropical gyre, then transects into the African coast in the northern limb of the coastal upwelling region. From there, the cruise goes northward into the Mediterranean outflow. The station locations shown on the map are for the "fulldepth TEI" stations, and constitute approximately half of the stations to be ultimately occupied. Figure 1. The proposed 2010 Atlantic GEOTRACES cruise track plotted on dissolved oxygen at 400 m depth. Data from the World Ocean Atlas (Levitus et al., 2005) were plotted using Ocean Data View (courtesy Reiner Schlitzer). [click on the image to view a larger version] Hydrography, CTD and nutrient measurements will be supported by the Ocean Data Facility (J. Swift) at Scripps Institution of Oceanography and funded through NSF Facilities. They will be providing an additional CTD rosette system along with nephelometer and LADCP. A trace metal clean Go-Flo Rosette and winch will be provided by the group at Old Dominion University (G. Cutter) along with a towed underway pumping system. The North Atlantic Transect cruise began in 2010 with KN199 leg 4 (station sampling) and leg 5 (underway sampling only) (Figure 2). KN199-04 Cruise Report (PDF) Figure 2. The red line shows the cruise track for the first leg of the US Geotraces North Atlantic Transect on the R/V Knorr in October 2010. The rest of the stations (beginning with 13) will be completed in October-December 2011 on the R/V Knorr (courtesy of Bill Jenkins, Chief Scientist, GNAT first leg). [click on the image to view a larger version] The section completion effort resumed again in November 2011 with KN204-01A,B (Figure 3). KN204-01A,B Cruise Report (PDF) Figure 3. Station locations occupied on the US Geotraces North Atlantic Transect on the R/V Knorr in November 2011. [click on the image to view a larger version] Data from the North Atlantic Transect cruises are available under the Datasets heading below, and consensus values for the SAFe and North Atlantic GEOTRACES Reference Seawater Samples are available from the GEOTRACES Program Office: Standards and Reference Materials ADCP data are available from the Currents ADCP group at the University of Hawaii at the links below: KN199-04 (leg 1 of 2010 cruise; Lisbon to Cape Verde) KN199-05 (leg 2 of 2010 cruise; Cape Verde to Charleston, NC) KN204-01A (part 1 of 2011 cruise; Woods Hole, MA to Bermuda) KN204-01B (part 2 of 2011 cruise; Bermuda to Cape Verde)1e:Ta37,Description from NSF award abstract: The atmospheric delivery of soluble Fe to the ocean is an important process contributing to oceanic primary production and the drawdown of atmospheric CO2. Combustion influenced air masses carry highly soluble Fe, but the reasons for this increased solubility remain unclear despite the importance to global carbon cycling. Acidic organic matter (OM) components (e.g., -COOH groups) can complex with trace metals, yet no study to date has investigated the comprehensive molecular characteristics of aerosol OM for their role as a determinant of Fe solubility. In this project, researchers at Old Dominion University will study the relationship between the molecular characteristics of marine aerosol water soluble OM (WSOM) and Fe solubility. Marine particulate aerosols collected during GEOTRACES cruises will be examined to identify WSOM characteristics that may play a role in delivering soluble and bioavailable Fe to the N. Atlantic Ocean. Aerosol WSOM will be characterized using advanced molecular and chemometric techniques to test whether: (1) continental combustion-influenced aerosol samples show molecular characteristics unique from those of continental dust influenced samples, having characteristics consistent with higher contributions from OM with acidic functional group; (2) aerosol WSOM examined along a gradient of Fe solubility show concurrent changes in the relative magnitude of highly oxygenated compounds and contributions from acidic functional groups; and (3) 2D HMBC NMR reveal unique components in composite continental combustion influenced samples relative to marine and dust-influenced samples, and these unique components include OM with carboxyl functional groups that can bind Fe. This project will be the first of its kind to extensively examine WSOM molecular characteristics and Fe solubility on concurrently collected aerosol samples. The results will be useful for understanding Fe distributions and biogeochemical cycling in the ocean. A potentially transformative aspect of this proposal will be the identification of aerosol WSOM molecular components unique to combustion influenced air masses that have the potential to facilitate aerosol Fe solubility. The findings of this project are expected to be highly relevant to oceanic and global biogeochemical cycling of OM and many trace metals that form organic complexes. Combustion-influenced OM associations may help explain patterns in the global oceanic distribution of other trace metals and provide key insights into oceanic processes (e.g., primary production, biological pump).6:["$","$L1b",null,{"dataset":{"_id":"652808","description":"

The sampling details and identities of each of the samples is provided in addtion to the NMR data. This includeds: starting and ending locations (latitudes and longitudes) and times (Greenwich mean time) as well as the sampling rates (m3 min-1) and calculated sample volumes (m3) for each of the aerosol samples. The run times (measured in hours) and sample volumes account for periods when the sampler was stopped due to potential contamination from the ship’s stack. The NMR data are reported as spectral intensity units, which are non-quantitative, and chemical shift - at parts per million difference from a reference signal, the hydrogens in tetramethylsilane. Spectral images are also provided as JPEG files. These images show the NMR spectra from which the numerical data are derived.

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BCO-DMO Processing:
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\n- replaced missing data with 'nd';
\n- converted date-time fields to ISO format;
\n- changed longitude values to negative.
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\n","bcodmoProcessing":"","title":"Spectral magnitude data for 0.0008 ppm bands from aerosol water soluble organic matter 1H NMR spectra from R/V Knorr GEOTRACES cruises KN199-04 and KN204-01 in the Subtropical northern Atlantic Ocean in 2010 and 2011","nickname":"GT10-11 - Aerosol 1H NMR","dataUrl":"","currentState":"Final no updates expected","currentStateId":"7","validated":true,"restricted":false,"version":"29 Dec 2015","version_date":"2015-12-29T05:00:00.000Z","abstract":"","citation":"Wozniak, A. S., Hatcher, P. G. (2015) Spectral magnitude data for 0.0008 ppm bands from aerosol water soluble organic matter 1H NMR spectra from R/V Knorr GEOTRACES cruises KN199-04 and KN204-01 in the Subtropical northern Atlantic Ocean in 2010 and 2011. Biological and Chemical Oceanography Data Management Office (BCO-DMO). 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Cruise identifer

","units":{"_id":"","name":"unitless"},"type":{"_id":"1102","name":"cruise_id","description":"

cruise designation; name

"}},{"_id":"658232","name":"sample_GEOTRC","format":"","frictionlessType":"","description":"

GEOTRACES sample number

","units":{"_id":"","name":"unitless"},"type":{"_id":"960","name":"sample","description":"

unique sample identification or number; any combination of alpha numeric characters; precise definition is file dependent

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GEOTRACES event number; added from the BCO-DMO GEOTRACES NAT master events file.

","units":{"_id":"","name":"unitless"},"type":{"_id":"829","name":"event","description":"

Event or operation identifier; event or operation number; often derived from date/time (MMDDHHmm) of sampling and when combined with year (YYYY) is a unique sampling identifier/data processing key. Date/time is not necessarily in GMT.

"}},{"_id":"658234","name":"station","format":"","frictionlessType":"","description":"

Station number; added from the BCO-DMO GEOTRACES NAT master events file.

","units":{"_id":"","name":"unitless"},"type":{"_id":"1103","name":"sta","description":"

station number; generally sequential; a unique number designating a general geographic location at which one or more sampling activities may occur.

This term has been deprecated and replaced by station.

"}},{"_id":"658235","name":"filter_size","format":"","frictionlessType":"","description":"

Filter size. Whatman QMA filters are typically sold as 8\"x10\" sheets in the U.S.

","units":{"_id":"","name":"inches"},"type":{"_id":"1733","name":"filter_size","description":"

Filter mesh size

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Filter type

","units":{"_id":"","name":"unitless"},"type":{"_id":"1073","name":"no_bcodmo_term","description":"

An association with a community-wide standard parameter has not yet been made.

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Latitude at the start of the sampling event.

","units":{"_id":"","name":"decimal degrees"},"type":{"_id":"870","name":"lat_start","description":"

latitude at start time of measurement; in decimal degrees (negative denotes South)

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Longitude at the start of the sampling event.

","units":{"_id":"","name":"decimal degrees"},"type":{"_id":"883","name":"lon_start","description":"

longitude at starting time of measurement (west is negative), in decimal degrees

"}},{"_id":"658239","name":"ISO_DateTime_UTC_Start","format":"","frictionlessType":"","description":"

Date and time, formatted to ISO8601 standard, at the start of the sampling event. Format: YYYY-mm-ddTHH:MM:SS.xx

","units":{"_id":"","name":"unitless"},"type":{"_id":"1908","name":"ISO_DateTime_UTC","description":"

Date/Time (UTC) ISO formatted
\nThis standard is based on ISO 8601:2004(E) and takes on any of the following forms:
\n2009-08-30T09:05:00[.xx] (local time)
\n2009-08-30T14:05:00[.xx]Z (UTC time)
\n2009-08-30T14:05:00[.xx]-05:00
\nThe dashes and the colons can be dropped.
\nThe T can also be dropped \"by mutual agreement\", but one needs the trailing Z if the time is UTC.

Sample ISO_datetime_utc:
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Format: YYYY-mm-ddTHH:MM:SS[.xx]Z (UTC time)

"}},{"_id":"658240","name":"lat_end","format":"","frictionlessType":"","description":"

Latitude at the end of the sampling event.

","units":{"_id":"","name":"decimal degrees"},"type":{"_id":"869","name":"lat_end","description":"

latitude at end time of measurement; in decimal degrees (negative denotes South)

"}},{"_id":"658241","name":"lon_end","format":"","frictionlessType":"","description":"

Longitude at the end of the sampling event.

","units":{"_id":"","name":"decimal degrees"},"type":{"_id":"884","name":"lon_end","description":"

longitude at end time of measurement; in decimal degrees (negative denotes West)

"}},{"_id":"658242","name":"ISO_DateTime_UTC_End","format":"","frictionlessType":"","description":"

Date and time, formatted to ISO8601 standard, at the end of the sampling event. Format: YYYY-mm-ddTHH:MM:SS.xx

","units":{"_id":"","name":"unitless"},"type":{"_id":"1908","name":"ISO_DateTime_UTC","description":"

Sample ISO_datetime_utc:
\n2009-08-30T14:05:00[.xx]Z (UTC time)

Format: YYYY-mm-ddTHH:MM:SS[.xx]Z (UTC time)

"}},{"_id":"658243","name":"run_time","format":"","frictionlessType":"","description":"

Run time in hours

","units":{"_id":"","name":"hours"},"type":{"_id":"1073","name":"no_bcodmo_term","description":"

An association with a community-wide standard parameter has not yet been made.

"}},{"_id":"658244","name":"flow_rate","format":"","frictionlessType":"","description":"

Sampling rate

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An association with a community-wide standard parameter has not yet been made.

"}},{"_id":"658245","name":"total","format":"","frictionlessType":"","description":"

Total sample size

","units":{"_id":"","name":"cubic meters (m3)"},"type":{"_id":"1073","name":"no_bcodmo_term","description":"

An association with a community-wide standard parameter has not yet been made.

"}},{"_id":"658246","name":"NMR_spectral_image","format":"","frictionlessType":"","description":"

Link to spectral image (JPEG file) showing the NMR spectra from which the data are derived.

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An association with a community-wide standard parameter has not yet been made.

"}},{"_id":"658247","name":"chemical_shift","format":"","frictionlessType":"","description":"

Chemical shift measured as parts per million difference from a reference signal, the hydrogens in tetramethylsilane.

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An association with a community-wide standard parameter has not yet been made.

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Spectral intensity

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An association with a community-wide standard parameter has not yet been made.

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