Publications de Satoshi Takahama

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Organic species within atmospheric particles vary widely in molecular structure. The variety of molecules that comprise the aerosol make it rich in information about its sources and chemical life cycle but also make particulate organic matter (OM) difficul ...

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, organic carbon is measured from a quartz fiber filter that has been exposed to a volume of ambient air and analyzed using thermal methods such as therm ...

Functional group (FG) analysis provides a means by which functionalization in organic aerosol can be attributed to the abundances of its underlying molecular structures. However, performing this attribution requires additional, unobserved details about the ...

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as thermal-optical refl ...

Various vibrational modes present in molecular mixtures of laboratory and atmospheric aerosols give rise to complex Fourier transform infrared (FT-IR) absorption spectra. Such spectra can be chemically informative, but they often require sophisticated algo ...

Organic carbon (OC) and elemental carbon (EC) are major components of atmospheric particulate matter (PM), which has been associated with increased morbidity and mortality, climate change, and reduced visibility. Typically OC and EC concentrations are meas ...

Globally, billions of people burn fuels indoors for cooking and heating, which contributes to millions of chronic illnesses and premature deaths annually. Additionally, residential burning contributes significantly to black carbon emissions, which have the ...

Water activity and related thermodynamic properties are calculated for several aqueous solutions using equilibrium molecular dynamics in conjunction with the recent extension of the Kirkwood-Buff (KB) theory for closed systems. The general applicability of ...

AIRSpec is a platform consisting of several chemometric packages developed for analysis of Fourier transform infrared (FTIR) spectra of atmospheric aerosols. The packages are accessible through a browser-based interface, which also generates the necessary ...

Organic matter (OM) is a major constituent of fine particulate matter, which contributes significantly to degradation of visibility and radiative forcing, and causes adverse health effects. However, due to its sheer compositional complexity, OM is difficul ...

In developing partial least squares calibration models, selecting the number of latent variables used for their construction to minimize both model bias and model variance remains a challenge. Several metrics exist for incorporating these trade-offs, but t ...

Atmospheric particulate matter (PM) is a complex mixture of many different substances and requires a suite of instruments for chemical characterization. Fourier transform infrared (FT-IR) spectroscopy is a technique that can provide quantification of multi ...

A growing body of research on statistical applications for characterization of atmospheric aerosol Fourier transform infrared (FT-IR) samples collected on polytetrafluoroethylene (PTFE) filters (e.g., Russell et al., 2011; Ruthenburg et al., 2014) and a ri ...

We present a comprehensive review of methods and applications of molecular simulations of interfacial systems. We give a detailed overview of the main techniques and major challenges in the following aspects of solid and fluid surfaces: adsorption at solid ...

Primary emissions from wood and pellet stoves were aged in an atmospheric simulation chamber under daytime and nighttime conditions. The aerosol was analyzed with online aerosol mass spectrometry and offline Fourier transform infrared spectroscopy (FTIR). ...

We investigate the temporal trends of peak ozone in Switzerland for the 1990-2014 time period. The meteorological conditions have a large influence on ozone formation and drive a large part of the variability in ozone observations. Therefore, the influence ...

Liquid-liquid phase-separated (LLPS) aerosol particles are known to exhibit increased cloud condensation nuclei (CCN) activity compared to well-mixed ones due to a complex effect of low surface tension and non-ideal mixing. The relation between the two con ...

Infrared (IR) spectroscopy is a direct measurement technique for chemical characterization of aerosols that can be applied without solvent extraction thermal treatment a priori. This technique has been used for chemical speciation, source apportionment, an ...

Secondary organic aerosol (SOA) formed by alpha-pinene and 1,3,5-trimethylbenzene photooxidation under different NOx regimes is simulated using the Master Chemical Mechanism v3.2 (MCM) coupled with an absorptive gas-particle partitioning module. Vapor pres ...

Peak fitting (PF) and partial least squares (PLS) regression have been independently developed for estimation of functional groups (FGs) from Fourier transform infrared (FTIR) spectra of ambient aerosol collected on Teflon filters. PF is a model that quant ...

Satoshi Takahama

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Quantifying organic matter and functional groups in particulate matter filter samples from the southeastern United States - Part 2: Spatiotemporal trends

Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: organic carbon

Technical note: Relating functional group measurements to carbon types for improved model-measurement comparisons of organic aerosol composition

Predicting ambient aerosol thermal–optical reflectance measurements from infrared spectra: elemental carbon

Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: sparse methods for statistical selection of relevant absorption bands

Predicting ambient aerosol thermal–optical reflectance (TOR) measurements from infrared spectra: extending the predictions to different years and different sites

Quantifying functional group compositions of household fuel-burning emissions

Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory

An open platform for Aerosol InfraRed Spectroscopy analysis - AIRSpec

Estimating mean molecular weight, carbon number, and OM∕OC with mid-infrared spectroscopy in organic particulate matter samples from a monitoring network

Model selection for partial least squares calibration and implications for analysis of atmospheric organic aerosol samples with mid-infrared spectroscopy

Atmospheric particulate matter characterization by Fourier transform infrared spectroscopy: a review of statistical calibration strategies for carbonaceous aerosol quantification in US measurement networks

An automated baseline correction protocol for infrared spectra of atmospheric aerosols collected on polytetrafluoroethylene (Teflon) filters

Molecular simulations of interfacial systems: challenges, applications and future perspectives

Chemical evolution of primary and secondary biomass burning aerosols during daytime and nighttime

Trends of surface maximum ozone concentrations in Switzerland based on meteorological adjustment for the period 1990-2014

Molecular scale description of interfacial mass transfer in phase separated aqueous secondary organic aerosol

Design and fabrication of an electrostatic precipitator for infrared spectroscopy

Model-measurement comparison of functional group abundance in α-pinene and 1,3,5-trimethylbenzene secondary organic aerosol formation

Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: systematic intercomparison of calibration methods for US measurement network samples