Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

Koziol, Lucas; Goldman, Nir

doi:10.1088/0004-637X/803/2/91

Title: Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

Abstract

We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extended structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.

Authors:

Koziol, Lucas ^[1]; Goldman, Nir ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Publication Date:: Tue Apr 21 00:00:00 EDT 2015

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1252616

Report Number(s):: LLNL-JRNL-665284
Journal ID: ISSN 1538-4357

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: The Astrophysical Journal (Online)

Additional Journal Information:: Journal Name: The Astrophysical Journal (Online); Journal Volume: 803; Journal Issue: 2; Journal ID: ISSN 1538-4357

Publisher:: Institute of Physics (IOP)

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 79 ASTRONOMY AND ASTROPHYSICS; 58 GEOSCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; origins of life; prebiotic chemistry; shock compression; comet impact; extreme thermodynamic conditions

Citation Formats


                    Koziol, Lucas, and Goldman, Nir. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures.  United States: N. p., 2015. 
Web.  doi:10.1088/0004-637X/803/2/91.

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                    Koziol, Lucas, & Goldman, Nir. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures.  United States.  https://doi.org/10.1088/0004-637X/803/2/91

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                    Koziol, Lucas, and Goldman, Nir. Tue .  
"Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures".  United States.  https://doi.org/10.1088/0004-637X/803/2/91.  https://www.osti.gov/servlets/purl/1252616.

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@article{osti_1252616,

  title        = {Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures},

  author       = {Koziol, Lucas and Goldman, Nir},

  abstractNote = {We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extended structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.},

  doi          = {10.1088/0004-637X/803/2/91},

  journal      = {The Astrophysical Journal (Online)},

  number       = 2,

  volume       = 803,

  place        = {United States},

  year         = {Tue Apr 21 00:00:00 EDT 2015},

  month        = {Tue Apr 21 00:00:00 EDT 2015}

}

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Works referencing / citing this record:

Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions
journal, January 2019

Kroonblawd, Matthew P.; Lindsey, Rebecca K.; Goldman, Nir
Chemical Science, Vol. 10, Issue 24
DOI: 10.1039/c9sc00155g

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We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extendedmore »« less
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Title: Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

Abstract

Citation Formats

Electron-Ion Coupling in Shocked Energetic Materials journal, November 2011

X-ray scattering intensities of water at extreme pressure and temperature journal, April 2007

Comets and the Formation of Biochemical Compounds on the Primitive Earth journal, April 1961

“Comet-tail” ejecta streaks: A predicted cratering landform unique to Titan journal, April 2004

First principles simulation of a superionic phase of hydrogen fluoride (HF) at high pressures and temperatures journal, July 2006

Pre-biotic organic synthesis: laboratory simulation experiments and their significance for the origin of life in the solar system conference, September 2011

DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method † journal, July 2007

Extending the Density Functional Tight Binding Method to Carbon Under Extreme Conditions journal, November 2011

Organic Molecules in the Interstellar Medium, Comets, and Meteorites: A Voyage from Dark Clouds to the Early Earth journal, September 2000

Gas flow and dust acceleration in a cometary Knudsen layer journal, August 1999

A Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Hydrogen under Extreme Thermodynamic Conditions journal, July 2014

Prebiotic Chemistry within a Simple Impacting Icy Mixture journal, May 2013

Ab initio simulation of the equation of state and kinetics of shocked water journal, March 2009

Prebiotic-like chemistry on Titan journal, January 2012

Amino acids from ultraviolet irradiation of interstellar ice analogues journal, March 2002

Carbonaceous components in the comet Halley dust journal, October 1994

Multi-center semi-empirical quantum models for carbon under extreme thermodynamic conditions journal, February 2015

Comet nucleus size distributions from HST and Keck telescopes journal, August 2004

On the formation of polyacetylenes and cyanopolyacetylenes in Titan's atmosphere and their role in astrobiology journal, January 2012

Structural Investigation of HCN Polymer Isotopomers by Solution-State Multidimensional NMR journal, May 2012

High-energy chemistry of formamide: A unified mechanism of nucleobase formation journal, December 2014

Chemical effects of large impacts on the Earth's primitive atmosphere journal, January 1986

Detection of cometary amines in samples returned by Stardust journal, February 2008

Cometary glycine detected in samples returned by Stardust journal, September 2009

Assessing the origins of aliphatic amines in the Murchison meteorite from their compound-specific carbon isotopic ratios and enantiomeric composition journal, September 2014

Shock Synthesis of Amino Acids in Simulated Primitive Environments journal, April 1970

Thermodynamic Potential for the Abiotic Synthesis of Adenine, Cytosine, Guanine, Thymine, Uracil, Ribose, and Deoxyribose in Hydrothermal Systems journal, June 2008

From Interstellar Amino Acids to Prebiotic Catalytic Peptides: A Review journal, April 2007

Nitrogen Oxides As a Chemistry Trap in Detonating Oxygen-Rich Materials journal, April 2014

FORMATION OF KETENE (H 2 CCO) IN INTERSTELLAR ANALOGOUS METHANE (CH 4 )-CARBON MONOXIDE (CO) ICES: A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY journal, June 2014

Hydrogen cyanide polymers, comets and the origin of life journal, January 2006

Organic astrochemistry: observations of interstellar ketene journal, June 2007

Ultrafast Shock Initiation of Exothermic Chemistry in Hydrogen Peroxide journal, October 2013

Long-Wavelength Ultraviolet Photoproduction of Amino Acids on the Primitive Earth journal, July 1971

Racemic amino acids from the ultraviolet photolysis of interstellar ice analogues journal, March 2002

Microscopic View of Structural Phase Transitions Induced by Shock Waves journal, May 2002

Antinociceptive activity of the endogenous fatty acid amide, palmitylethanolamide journal, May 2001

Organic Synthesis in Experimental Impact Shocks journal, April 1997

Cometary Impact and Amino Acid Survival − Chemical Kinetics and Thermochemistry † journal, June 2006

Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures journal, April 2013

Thermal Synthesis of Natural Amino-Acids from a Postulated Primitive Terrestrial Atmosphere journal, January 1964

A Production of Amino Acids Under Possible Primitive Earth Conditions journal, May 1953

Organic Compound Synthes on the Primitive Eart: Several questions about the origin of life have been answered, but much remains to be studied journal, July 1959

Experimentally Tracing the Key Steps in the Origin of Life: The Aromatic World journal, June 2006

Origin and Evolution of Prebiotic Organic Matter As Inferred from the Tagish Lake Meteorite journal, June 2011

The Chemical Composition of Comets—Emerging Taxonomies and Natal Heritage journal, September 2011

Cometary delivery of organic molecules to the early Earth journal, July 1990

Identification of primary amines in Titan tholins using microchip nonaqueous capillary electrophoresis journal, October 2014

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

From Interstellar Amino Acids to Prebiotic Catalytic Peptides: A Review journal, June 2007

Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions journal, January 2019

Electron-Ion Coupling in Shocked Energetic Materials
journal, November 2011

X-ray scattering intensities of water at extreme pressure and temperature
journal, April 2007

Comets and the Formation of Biochemical Compounds on the Primitive Earth
journal, April 1961

“Comet-tail” ejecta streaks: A predicted cratering landform unique to Titan
journal, April 2004

First principles simulation of a superionic phase of hydrogen fluoride (HF) at high pressures and temperatures
journal, July 2006

Pre-biotic organic synthesis: laboratory simulation experiments and their significance for the origin of life in the solar system
conference, September 2011

DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method ^†
journal, July 2007

Extending the Density Functional Tight Binding Method to Carbon Under Extreme Conditions
journal, November 2011

Organic Molecules in the Interstellar Medium, Comets, and Meteorites: A Voyage from Dark Clouds to the Early Earth
journal, September 2000

Gas flow and dust acceleration in a cometary Knudsen layer
journal, August 1999

A Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Hydrogen under Extreme Thermodynamic Conditions
journal, July 2014

Prebiotic Chemistry within a Simple Impacting Icy Mixture
journal, May 2013

Ab initio simulation of the equation of state and kinetics of shocked water
journal, March 2009

Prebiotic-like chemistry on Titan
journal, January 2012

Amino acids from ultraviolet irradiation of interstellar ice analogues
journal, March 2002

Carbonaceous components in the comet Halley dust
journal, October 1994

Multi-center semi-empirical quantum models for carbon under extreme thermodynamic conditions
journal, February 2015

Comet nucleus size distributions from HST and Keck telescopes
journal, August 2004

On the formation of polyacetylenes and cyanopolyacetylenes in Titan's atmosphere and their role in astrobiology
journal, January 2012

Structural Investigation of HCN Polymer Isotopomers by Solution-State Multidimensional NMR
journal, May 2012

High-energy chemistry of formamide: A unified mechanism of nucleobase formation
journal, December 2014

Chemical effects of large impacts on the Earth's primitive atmosphere
journal, January 1986

Detection of cometary amines in samples returned by Stardust
journal, February 2008

Cometary glycine detected in samples returned by Stardust
journal, September 2009

Assessing the origins of aliphatic amines in the Murchison meteorite from their compound-specific carbon isotopic ratios and enantiomeric composition
journal, September 2014

Shock Synthesis of Amino Acids in Simulated Primitive Environments
journal, April 1970

Thermodynamic Potential for the Abiotic Synthesis of Adenine, Cytosine, Guanine, Thymine, Uracil, Ribose, and Deoxyribose in Hydrothermal Systems
journal, June 2008

From Interstellar Amino Acids to Prebiotic Catalytic Peptides: A Review
journal, April 2007

Nitrogen Oxides As a Chemistry Trap in Detonating Oxygen-Rich Materials
journal, April 2014

FORMATION OF KETENE (H ₂ CCO) IN INTERSTELLAR ANALOGOUS METHANE (CH ₄ )-CARBON MONOXIDE (CO) ICES: A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY
journal, June 2014

Hydrogen cyanide polymers, comets and the origin of life
journal, January 2006

Organic astrochemistry: observations of interstellar ketene
journal, June 2007

Ultrafast Shock Initiation of Exothermic Chemistry in Hydrogen Peroxide
journal, October 2013

Long-Wavelength Ultraviolet Photoproduction of Amino Acids on the Primitive Earth
journal, July 1971

Racemic amino acids from the ultraviolet photolysis of interstellar ice analogues
journal, March 2002

Microscopic View of Structural Phase Transitions Induced by Shock Waves
journal, May 2002

Antinociceptive activity of the endogenous fatty acid amide, palmitylethanolamide
journal, May 2001

Organic Synthesis in Experimental Impact Shocks
journal, April 1997

Cometary Impact and Amino Acid Survival − Chemical Kinetics and Thermochemistry ^†
journal, June 2006

Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures
journal, April 2013

Thermal Synthesis of Natural Amino-Acids from a Postulated Primitive Terrestrial Atmosphere
journal, January 1964

A Production of Amino Acids Under Possible Primitive Earth Conditions
journal, May 1953

Organic Compound Synthes on the Primitive Eart: Several questions about the origin of life have been answered, but much remains to be studied
journal, July 1959

Experimentally Tracing the Key Steps in the Origin of Life: The Aromatic World
journal, June 2006

Origin and Evolution of Prebiotic Organic Matter As Inferred from the Tagish Lake Meteorite
journal, June 2011

The Chemical Composition of Comets—Emerging Taxonomies and Natal Heritage
journal, September 2011

Cometary delivery of organic molecules to the early Earth
journal, July 1990

Identification of primary amines in Titan tholins using microchip nonaqueous capillary electrophoresis
journal, October 2014

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

From Interstellar Amino Acids to Prebiotic Catalytic Peptides: A Review
journal, June 2007

Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions
journal, January 2019