Article
Environmental Sciences
Narcisse Tsona Tchinda, Lin Du, Ling Liu, Xiuhui Zhang
Summary: Using quantum chemical calculations and a cluster dynamics model, the role of pyruvic acid (PA) in the formation of sulfuric acid (SA) and aerosol particles was investigated. It was found that PA can potentially compete with water-catalyzed reaction in SA production and enhance particle formation in dry and polluted areas. The inclusion of this mechanism in aerosol models may reduce uncertainties in modeling the aerosol impact on climate.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Shendong Tan, Xiaomeng Zhang, Yongjian Lian, Xi Chen, Shi Yin, Lin Du, Maofa Ge
Summary: Organosulfates (OSs) are commonly found in atmospheric aerosol particles and their formation mechanism is crucial to understand. This study investigates the reaction of alpha-hydroxy acids (HAs) with SO3 at the surface of liquid aerosols, revealing the significant impact of OH group orientation on the formation of OSs. The air-water interface plays a crucial role in the physicochemical behaviors of alpha-hydroxy acids, leading to different properties for the SO3 colliding reaction.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Engineering, Environmental
Jose Maria Carvajal-Arroyo, Stephen J. Andersen, Ramon Ganigue, Rene A. Rozendal, Largus T. Angenent, Korneel Rabaey
Summary: Microbial chain elongation can convert organic wastes and agroindustrial sidestreams into medium chain carboxylic acids (MCCAs), which can be used in various industries. Up-scaling production of MCCAs from thin stillage and separating them into oil at kilogram scale with a high MCCA content was achieved in this study. By decreasing the fermentation pH, the production rate of MCCAs and oil was doubled without the need for additional NaOH dosage.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Lucy C. Ward, Ellie Goulding, Daniel J. Rigden, Faye E. Allan, Alessandro Pellis, Harry Hatton, Georg M. Guebitz, Jesus Enrique Salcedo-Sora, Andrew J. Carnell
Summary: Mutation of the FtpM enzyme from Aspergillus fumigatus, named R166M, was reported to catalyze the quantitative conversion of bio-derived 2,5-furandicarboxylic acid (FDCA) to its dimethyl ester (FDME), the precursor of bioplastics. The AlphaFold 2 model revealed that the mutant had a highly electropositive active site, with 4 arginine residues facilitating the binding of the dicarboxylic acid over the intermediate monoester. The R166M mutation improved both binding and turnover of the monoester, allowing near quantitative conversion to the target dimethyl ester product, and showed improved activity for other diacids and monoacids.
Article
Chemistry, Physical
Taichi Yumura, Takeshi Nanjo, Yoshiji Takemoto
Summary: This article reports an efficient hybrid photo-redox catalyst that enables radical cyclization of unsaturated carboxylic acids previously requiring harsh reaction conditions. Mechanistic studies have revealed that the catalyst promotes single electron transfer and leads to unconventional cis-trans isomerization of the cyclobutane rings.
Article
Multidisciplinary Sciences
Arvin Hekmati, Mitul Luhar, Bhaskar Krishnamachari, Maja Mataric
Summary: This study investigates the airborne transmission risk of conducting in-person classes on university campuses, considering the original strain and a more contagious variant of SARS-CoV-2. The findings suggest that moving classes online and using masks can significantly reduce new cases. However, for the more contagious variant, a high vaccination rate is required even with universal mask usage to ensure safety.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Shanshan Luo, David Adam, Simone Giaveri, Sebastian Barthel, Stefano Cestellos-Blanco, Dominik Hege, Nicole Paczia, Leonardo Castaneda-Losada, Melanie Klose, Fabian Arndt, Johann Heider, Tobias J. Erb
Summary: This study presents a new-to-nature electrobiological module, the acid/aldehyde ATP cycle, which enables the direct conversion of electrical energy into ATP. The cycle does not require membrane-based charge separation and shows the potential for continuous, electricity-driven regeneration of ATP. It is also compatible with complex cell-free systems.
Article
Green & Sustainable Science & Technology
M. Bortoli, C. E. Hollas, R. L. R. Steinmetz, A. Coldebella, A. Kunz, A. Cunha Jr, M. C. de Pra, H. M. Soares
Summary: High greenhouse gas emissions, high water demand, and waste with high pollution potential are critical points for waste management generated in animal production. Sustainable practices for agriculture are fundamental to mitigate global climate change and protect water resources. The reuse of NO3- rich effluents in swine production can reduce greenhouse gas emissions and environmental impacts.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Organic
Chris M. Seong, Annabel Q. Ansel, Courtney C. Roberts
Summary: The construction of alkyl-alkyl bonds is an important tool in organic synthesis. In this study, a photocatalytic coupling of carboxylic acids to form bibenzyls was reported. The redox-opposite relationship between carboxylic acids and their redox-active esters was explored for the first time, providing mechanistic insights and potential applications in catalysis.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Viet D. Nguyen, Ramon Trevino, Samuel G. Greco, Hadi D. Arman, Oleg V. Larionov
Summary: Dual catalytic systems involving photocatalytic activation and transition metal-catalyzed steps have enabled innovative approaches to the construction of carbon-carbon and carbon-heteroatom bonds. This study reports a dual catalytic process that enables the direct conversion of carboxylic acids to important synthetic intermediates using a three-component decarboxysulfonylative cross-coupling. Detailed mechanistic and computational studies revealed the roles of different catalysts and ions in channeling the reaction.
Article
Chemistry, Multidisciplinary
Paula Andrea Hernandez, Miaomiao Zhou, Igor Vassilev, Stefano Freguia, Yang Zhang, Jurg Keller, Pablo Ledezma, Bernardino Virdis
Summary: By utilizing an electrodialysis system, carboxylic acids can be concentrated from a model solution mimicking the effluent of a microbial electrochemical system, achieving a 60% recovery rate and enabling the phase separation of caproic acid as an immiscible oil with 76% purity.
Article
Chemistry, Physical
Ernesto Marceca, Jennifer A. Noble, Claude Dedonder-Lardeux, Christophe Jouvet
Summary: The decarboxylation mechanism of cold monodeprotonated phthalic acid was studied, revealing different fragmentation pathways in the deprotonated anion and in the radical generated upon electron photodetachment. Unlike other aryl carboxylic acids, a double loss of CO2 molecules takes place in the phthalic monoanion, with a statistical distribution of product translational energies at higher excitation energies.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Applied
Haoyue Han, Shangzhi Ding, Yanling Geng, Zhaoyu Qiao, Xuemei Li, Rongyu Wang, Xiqing Zhang, Wenhua Ji
Summary: In this study, a pyridine-functionalized covalent organic framework (Py-COF) was synthesized and used as a coating for solid-phase microextraction (SPME) method for the efficient determination of PFECAs in food. The method showed satisfactory sensitivity and accuracy, making it suitable for the analysis of trace PFECAs in food.
Article
Polymer Science
Muhammad Kamran, Matthew G. Davidson, Sicco de Vos, Vasilios Tsanaktsis, Bahar Yeniad
Summary: Polyphthalamides (PPAs) are promising engineering thermoplastics used in demanding applications, with most commercially available PPAs currently derived from non-renewable petroleum resources. The synthesis of a semi-aromatic polyamide, PA6F, based on a bio-based monomer FDCA, using catalysts Ti-isopropoxide (TIPT) and Ti-citrate (TIC) resulted in improved molecular weights and glass transition temperatures. Incorporating hexamethylenediamine (HMDA) led to further enhancement in glass transition temperature, with PA6F showing high glass transition temperature and elastic modulus.
Article
Energy & Fuels
Jose de Jesus Jesus Montoya-Rosales, Paulina Nunez-Valenzuela, Aura Ontiveros-Valencia, Marcia Morales-Ibarria, Sergio Revah, Elias Razo-Flores
Summary: Bioproduction of short chain carboxylic acids (SCCAs) and medium chain carboxylic acids (MCCAs) is an alternative strategy for upgrading low-value organic waste and reducing fossil fuel consumption. Syngas fermentation and chain elongation offer sustainable pathways for the synthesis of fuels and chemicals. However, the management of microbial communities remains a challenge for efficient production of carboxylic acids.
BIOENERGY RESEARCH
(2023)
Article
Chemistry, Analytical
Hannah K. Maben, Paul J. Ziemann
Summary: Atmospheric organic aerosol particles have significant impacts on climate, human health, and environmental health. Secondary organic aerosol (SOA), formed by the gas-to-particle partitioning of oxidized volatile organic compounds (VOCs), contributes a large fraction of the organic material in aerosols. This study investigated the accretion reactions of compounds containing reactive hydroperoxide, hydroxyl, carboxyl, aldehyde, and ketone groups in organic/aqueous mixtures. The reactions and products were characterized, and the rate and equilibrium constants were determined. These findings provide valuable insights into the formation of atmospheric aerosols and can improve the modeling of SOA chemistry.
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
(2023)
Article
Engineering, Environmental
Zhe Peng, Shelly L. Miller, Jose L. Jimenez
Summary: Air disinfection using germicidal ultraviolet light (GUV) has gained attention during the COVID-19 pandemic. This study investigates the impact of GUV on indoor-air-quality by modeling the chemistry initiated by GUV in a typical indoor setting. The analysis shows that GUV can photolyze ozone (O3) and generate hydroxyl radicals (OH) that oxidize indoor volatile organic compounds (VOCs) into more oxidized VOCs. GUV also leads to the formation of secondary organic aerosol (SOA).
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2023)
Article
Meteorology & Atmospheric Sciences
Carsten Warneke, Joshua P. Schwarz, Jack Dibb, Olga Kalashnikova, Gregory Frost, Jassim Al-Saad, Steven S. Brown, Wm Alan Brewer, Amber Soja, Felix C. Seidel, Rebecca A. Washenfelder, Elizabeth B. Wiggins, Richard H. Moore, Bruce E. Anderson, Carolyn Jordan, Tara Yacovitch, Scott C. Herndon, Shang Liu, Toshihiro Kuwayama, Daniel Jaffe, Nancy Johnston, Vanessa Selimovic, Robert Yokelson, David M. Giles, Brent N. Holben, Philippe Goloub, Ioana Popovici, Michael Trainer, Aditya Kumar, R. Bradley Pierce, David Fahey, James Roberts, Emily M. Gargulinski, David A. Peterson, Xinxin Ye, Laura H. Thapa, Pablo E. Saide, Charles H. Fite, Christopher D. Holmes, Siyuan Wang, Matthew M. Coggon, Zachary C. J. Decker, Chelsea E. Stockwell, Lu Xu, Georgios Gkatzelis, Kenneth Aikin, Barry Lefer, Jackson Kaspari, Debora Griffin, Linghan Zeng, Rodney Weber, Meredith Hastings, Jiajue Chai, Glenn M. Wolfe, Thomas F. Hanisco, Jin Liao, Pedro Campuzano Jost, Hongyu Guo, Jose L. Jimenez, James Crawford
Summary: The NOAA/NASA Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) experiment aimed to study the impact of fires on regional and global environments and air quality. The experiment measured trace gas and aerosol emissions, observed fire dynamics, assessed fire modeling, and examined connections to ground and satellite observables. The experiment involved aircraft, satellites, mobile laboratories, and ground sites.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2023)
Article
Engineering, Environmental
Emily B. Franklin, Lindsay D. Yee, Rebecca Wernis, Gabriel Isaacman-VanWertz, Nathan Kreisberg, Robert Weber, Haofei Zhang, Brett B. Palm, Weiwei Hu, Pedro Campuzano-Jost, Douglas A. Day, Antonio Manzi, Paulo Artaxo, Rodrigo A. F. De Souza, Jose L. Jimenez, Scot T. Martin, Allen H. Goldstein
Summary: Urbanization and fires have a significant impact on the quantities and composition of organic aerosol in the central Amazon, affecting radiative forcing and public health. The composition of ambient organic aerosol is complex and not fully understood, with limited knowledge about the different compounds present. Through analysis of aerosol samples, it was found that fires and urban emissions have distinct effects on the chemical signatures, and only a portion of compounds were observed in both seasons. This study highlights the need for further research to fill the knowledge gaps in understanding the speciation of organic aerosol in the Amazon.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Geosciences, Multidisciplinary
Yuk-Chun Chan, Lyatt Jaegle, Pedro Campuzano-Jost, David C. Catling, Jihong Cole-Dai, Vasile I. Furdui, W. Andrew Jackson, Jose L. Jimenez, Dongwook Kim, Alanna E. Wedum, Becky Alexander
Summary: In this study, a global three-dimensional chemical transport model was used to simulate the production, transport, and deposition of perchlorate in the Earth's atmosphere. The model predictions were compared to observations, and it was found that the model could not fully explain the high levels of perchlorate observed at near-surface sites and the low O-17-excess observed in perchlorate sampled from pristine environments. Four hypotheses were discussed to explain these discrepancies and recommendations were made for further laboratory and field observations.
GEOPHYSICAL RESEARCH LETTERS
(2023)
Article
Multidisciplinary Sciences
Emily Matthews, Thomas J. Bannan, M. Anwar H. Khan, Dudley E. Shallcross, Harald Stark, Eleanor C. Browne, Alexander T. Archibald, Archit Mehra, Stephane J. -B. Bauguittei, Chris Reed, Navaneeth M. Thamban, Huihui Wu, Patrick Barker, James Lee, Lucy J. Carpenter, Mingxi Yang, Thomas G. Bell, Grant Allen, John T. Jayne, Carl J. Percival, Gordon McFiggansa, Martin Gallaghera, Hugh Coe
Summary: This study reveals the presence and importance of urea in the atmosphere, originating primarily from the ocean. It also highlights the potential long-range transport of urea from biomass-burning plumes. The presence of urea has significant implications for marine ecosystems, carbon dioxide uptake, and climate.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Multidisciplinary Sciences
J. M. Katich, E. C. Apel, I. Bourgeois, C. A. Brock, T. P. Bui, P. Campuzano-Jost, R. Commane, B. Daube, M. Dollner, M. Fromm, K. D. Froyd, A. J. Hills, R. S. Hornbrook, J. L. Jimenez, A. Kupc, K. D. Lamb, K. McKain, F. Moore, D. M. Murphy, B. A. Nault, J. Peischl, A. E. Perring, D. A. Peterson, E. A. Ray, K. H. Rosenlof, T. Ryerson, G. P. Schill, J. C. Schroder, B. Weinzierl, C. Thompson, C. J. Williamson, S. C. Wofsy, P. Yu, J. P. Schwarz
Summary: Pyrocumulonimbus (pyroCb) are wildfire-generated convective clouds that can inject smoke directly into the stratosphere. In situ measurements of pyroCb smoke reveal its distinctive and exceptionally stable aerosol properties and define the long-term influence of pyroCb activity on the stratospheric aerosol budget. Analysis of 13 years of airborne observations shows that pyroCb are responsible for 10 to 25% of the black carbon and organic aerosols in the present-day lower stratosphere, with similar impacts in both the North and South Hemispheres. These results suggest that, should pyroCb increase in frequency and/or magnitude in future climates, they could generate dominant trends in stratospheric aerosol.
Article
Meteorology & Atmospheric Sciences
J. F. Brewer, D. J. Jacob, S. H. Jathar, Y. He, A. Akherati, S. Zhai, D. S. Jo, A. Hodzic, B. A. Nault, P. Campuzano-Jost, J. L. Jimenez, R. J. Park, Y. J. Oak, H. Liao
Summary: We propose a new Volatility Basis Set (VBS) representation for aromatic Secondary Organic Aerosol (SOA) and apply it to atmospheric chemistry models. Our scheme was able to simulate the observations of organic aerosol (OA) from the KORUS-AQ field campaign better than the default schemes used in GEOS-Chem, showing improved representation of vertical profiles, diurnal cycle, and partitioning between hydrocarbon-like OA and oxidized OA. Our results confirm the significant contributions of oxidized primary OA, aromatic SOA, and semi- and intermediate volatile organic compounds (S/IVOCs) to the OA budget in South Korea.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2023)
Article
Chemistry, Multidisciplinary
Olivia J. Jenks, Marla P. DeVault, Anna C. Ziola, Melissa A. Morris, Melinda K. Schueneman, Harald Stark, Jose L. Jimenez, Paul J. Ziemann, Joost A. de Gouw
Summary: Organic aerosols have various impacts on climate, visibility, and human health. This study investigates the oxidation of biogenic volatile organic compounds by NO3 radicals to form secondary organic aerosols. The analysis of the first-generation gas-phase products of this reaction provides insights into the sources of organic nitrate in the atmosphere. The results can aid in the interpretation of field data and improve the representation of this chemistry in models.
ACS EARTH AND SPACE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Tran B. Nguyen, Kelvin H. Bates, Reina S. Buenconsejo, Sophia M. Charan, Eric E. Cavanna, David R. Cocker III, Douglas A. Day, Marla P. DeVault, Neil M. Donahue, Zachary Finewax, Luke F. Habib, Anne V. Handschy, Lea Hildebrandt Ruiz, Chung-Yi S. Hou, Jose L. Jimenez, Taekyu Joo, Alexandra L. Klodt, Weimeng Kong, Chen Le, Catherine G. Masoud, Matthew S. Mayernik, Nga L. Ng, Eric J. Nienhouse, Sergey A. Nizkorodov, John J. Orlando, Jeroen J. Post, Patrick O. Sturm, Bridget L. Thrasher, Geoffrey S. Tyndall, John H. Seinfeld, Steven J. Worley, Xuan Zhang, Paul J. Ziemann
Summary: ICARUS is an open access infrastructure for storing, sharing, discovering, and utilizing atmospheric chamber data. It supports the evaluation and revision of atmospheric model mechanisms, intercomparison of data and models, and the development of new model frameworks.
ACS EARTH AND SPACE CHEMISTRY
(2023)
Article
Engineering, Environmental
Zhe Peng, Douglas A. Day, Guy A. Symonds, Olivia J. Jenks, Harald Stark, Anne V. Handschy, Joost A. de Gouw, Jose L. Jimenez
Summary: Lamps emitting at 222 nm, a type of germicidal ultraviolet disinfection (GUV222), have recently gained attention. However, this study found that these lamps can generate significant amounts of ozone (O-3), which can lead to particulate matter formation and negative health impacts. The production of O-3 by these lamps is influenced by factors such as the removal of optical filters and undesired internal electrical discharge. Guidelines should be developed to limit indoor pollution caused by GUV222, and lower fluence rates should be used if possible, especially in low-ventilation conditions. Low-cost sensors for O-3 and particulate matter were found to be ineffective for investigating the chemistry induced by GUV222.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2023)
Correction
Engineering, Environmental
Zhe Peng, Shelly L. Miller, Jose L. Jimenez
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2023)
Article
Environmental Sciences
Kevin J. Nihill, Matthew M. Coggon, Christopher Y. Lim, Abigail R. Koss, Bin Yuan, Jordan E. Krechmer, Kanako Sekimoto, Jose L. Jimenez, Joost de Gouw, Christopher D. Cappa, Colette L. Heald, Carsten Warneke, Jesse H. Kroll
Summary: Biomass burning is a significant source of reactive organic carbon in the atmosphere. Experiments conducted as part of the FIREX FireLab campaign reveal that the atmospheric oxidation of organic carbon from biomass burning leads to the formation of smaller and more oxidized species. The oxidative evolution of biomass burning emissions appears to be independent of fuel type, resulting in a common aged distribution of gas-phase compounds consisting of small volatile oxygenates and various minor oxidized species and secondary organic aerosols.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2023)
Article
Environmental Sciences
Haihui Zhu, Randall V. Martin, Betty Croft, Shixian Zhai, Chi Li, Liam Bindle, Jeffrey R. Pierce, Rachel Y. -W. Chang, Bruce E. Anderson, Luke D. Ziemba, Johnathan W. Hair, Richard A. Ferrare, Chris A. Hostetler, Inderjeet Singh, Deepangsu Chatterjee, Jose L. Jimenez, Pedro Campuzano-Jost, Benjamin A. Nault, Jack E. Dibb, Joshua S. Schwarz, Andrew Weinheimer
Summary: This study uses a global chemical transport model to analyze airborne measurements from the United States and South Korea, and proposes a parameterization method for representing aerosol size. This method improves the agreement between the simulation model and ground-measured data.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2023)
