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  1. Book ; Online: Biomass Modification, Characterization and Process Monitoring Analytics to Support Biofuel and Biomaterial Production

    Lupoi, Jason / Simmons, Blake / Henry, Robert

    2016  

    Abstract: The conversion of lignocellulosic biomass into renewable fuels and other commodities has provided an appealing alternative towards supplanting global dependence on fossil fuels. The suitability of multitudes of plants for deconstruction to useful ... ...

    Abstract The conversion of lignocellulosic biomass into renewable fuels and other commodities has provided an appealing alternative towards supplanting global dependence on fossil fuels. The suitability of multitudes of plants for deconstruction to useful precursor molecules and products is currently being evaluated. These studies have probed a variety of phenotypic traits, including cellulose, non-cellulosic polysaccharide, lignin, and lignin monomer composition, glucose and xylose production following enzymatic hydrolysis, and an assessment of lignin-carbohydrate and lignin-lignin linkages, to name a few. These quintessential traits can provide an assessment of biomass recalcitrance, enabling researchers to devise appropriate deconstruction strategies. Plants with high polysaccharide and lower lignin contents have been shown to breakdown to monomeric sugars more readily. Not all plants contain ideal proportions of the various cell wall constituents, however.-

    The capabilities of biotechnology can alleviate this conundrum by tailoring the chemical composition of plants to be more favorable for conversion to sugars, fuels, etc. Increases in the total biomass yield, cellulose content, or conversion efficiency through, for example, a reduction in lignin content, are pathways being evaluated to genetically improve plants for use in manufacturing biofuels and bio-based chemicals. Although plants have been previously domesticated for food and fiber production, the collection of phenotypic traits prerequisite for biofuel production may necessitate new genetic breeding schemes. Given the plethora of potential plants available for exploration, rapid analytical methods are needed to more efficiently screen through the bulk of samples to hone in on which feedstocks contain the desired chemistry for subsequent conversion to valuable, renewable commodities.-

    The standard methods for analyzing biomass and related intermediates and finished products are laborious, potentially toxic, and/or destructive. They may also necessitate a complex data analysis, significantly increasing the experimental time and add unwanted delays in process monitoring, where delays can incur in significant costs. Advances in thermochemical and spectroscopic techniques have enabled the screening of thousands of plants for different phenotypes, such as cell-wall cellulose, non-cellulosic polysaccharide, and lignin composition, lignin monomer composition, or monomeric sugar release. Some instrumental methods have been coupled with multivariate analysis, providing elegant chemometric predictive models enabling the accelerated identification of potential feedstocks.-
    Keywords Biotechnology ; Engineering (General). Civil engineering (General)
    Size 1 electronic resource (156 p.)
    Publisher Frontiers Media SA
    Document type Book ; Online
    Note English ; Open Access
    HBZ-ID HT020090588
    ISBN 9782889198672 ; 2889198677
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  2. Article ; Online: Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents.

    Mohan, Mood / Demerdash, Omar N / Simmons, Blake A / Singh, Seema / Kidder, Michelle K / Smith, Jeremy C

    ACS omega

    2024  Volume 9, Issue 17, Page(s) 19548–19559

    Abstract: Carbon dioxide ( ... ...

    Abstract Carbon dioxide (CO
    Language English
    Publishing date 2024-04-19
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.4c01175
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Valorization of Hemp-Based Packaging Waste with One-Pot Ionic Liquid Technology.

    Choi, Julius / Rodriguez, Alberto / Simmons, Blake A / Gladden, John M

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 3

    Abstract: The range of applications for industrial hemp has consistently increased in various sectors over the years. For example, hemp hurd can be used as a resource to produce biodegradable packaging materials when incorporated into a fungal mycelium composite, ... ...

    Abstract The range of applications for industrial hemp has consistently increased in various sectors over the years. For example, hemp hurd can be used as a resource to produce biodegradable packaging materials when incorporated into a fungal mycelium composite, a process that has been commercialized. Although these packaging materials can be composted after usage, they may present an opportunity for valorization in a biorefinery setting. Here, we demonstrate the potential of using this type of discarded packaging composite as a feedstock for biofuel production. A one-pot ionic liquid-based biomass deconstruction and conversion process was implemented, and the results from the packaging material were compared with those obtained from untreated hemp hurd. At a 120 °C reaction temperature, 7.5% ionic liquid loading, and 2 h reaction time, the packaging materials showed a higher lignocellulosic sugar yield and sugar concentrations than hemp hurd. Hydrolysates prepared from packaging materials also promoted production of higher titers (1400 mg/L) of the jet-fuel precursor bisabolene when used to cultivate an engineered strain of the yeast
    MeSH term(s) Lignin ; Ionic Liquids ; Cannabis ; Sugars ; Technology ; Biofuels ; Biomass
    Chemical Substances Lignin (9005-53-2) ; Ionic Liquids ; Sugars ; Biofuels
    Language English
    Publishing date 2023-02-02
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules28031427
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Multiscale molecular simulations for the solvation of lignin in ionic liquids.

    Mohan, Mood / Simmons, Blake A / Sale, Kenneth L / Singh, Seema

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 271

    Abstract: Lignin, the second most abundant biopolymer found in nature, has emerged as a potential source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as technologies for efficient and affordable lignin dissolution and ... ...

    Abstract Lignin, the second most abundant biopolymer found in nature, has emerged as a potential source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as technologies for efficient and affordable lignin dissolution and depolymerization, are major obstacles in the conversion of lignin to value-added products. Certain ionic liquids (ILs) are capable of dissolving and depolymerizing lignin but designing and developing an effective IL for lignin dissolution remains quite challenging. To address this issue, the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) model was used to screen 5670 ILs by computing logarithmic activity coefficients (ln(γ)) and excess enthalpies (H
    MeSH term(s) Ionic Liquids/chemistry ; Lignin/chemistry ; Solvents/chemistry ; Molecular Dynamics Simulation ; Anions/chemistry ; Cations/chemistry
    Chemical Substances Ionic Liquids ; Lignin (9005-53-2) ; Solvents ; Anions ; Cations
    Language English
    Publishing date 2023-01-06
    Publishing country England
    Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-022-25372-2
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: An Engineered Laccase from

    Pham, Le Thanh Mai / Deng, Kai / Choudhary, Hemant / Northen, Trent R / Singer, Steven W / Adams, Paul D / Simmons, Blake A / Sale, Kenneth L

    Biomolecules

    2024  Volume 14, Issue 3

    Abstract: Laccases from white-rot fungi catalyze lignin depolymerization, a critical first step to upgrading lignin to valuable biodiesel fuels and chemicals. In this study, a wildtype laccase from the ... ...

    Abstract Laccases from white-rot fungi catalyze lignin depolymerization, a critical first step to upgrading lignin to valuable biodiesel fuels and chemicals. In this study, a wildtype laccase from the basidiomycete
    MeSH term(s) Lignin/chemistry ; Laccase/metabolism ; Basidiomycota/metabolism ; Carbohydrates ; Cellulases ; Sugars ; Ethers
    Chemical Substances lignocellulose (11132-73-3) ; Lignin (9005-53-2) ; Laccase (EC 1.10.3.2) ; Carbohydrates ; Cellulases (EC 3.2.1.-) ; Sugars ; Ethers
    Language English
    Publishing date 2024-03-08
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2701262-1
    ISSN 2218-273X ; 2218-273X
    ISSN (online) 2218-273X
    ISSN 2218-273X
    DOI 10.3390/biom14030324
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

    Mohan, Mood / Keasling, Jay D. / Simmons, Blake A. / Singh, Seema

    Green chemistry. 2022 May 23, v. 24, no. 10

    2022  

    Abstract: Plastic waste is currently produced at an alarmingly high rate, nearing 400 Mt per year. The accumulation of plastics in the environment is growing rapidly, yet our knowledge of their persistence is very limited. Efficient and affordable dissolution and ... ...

    Abstract Plastic waste is currently produced at an alarmingly high rate, nearing 400 Mt per year. The accumulation of plastics in the environment is growing rapidly, yet our knowledge of their persistence is very limited. Efficient and affordable dissolution and chemical upcycling of plastic wastes are also a significant hurdle in the conversion of plastic polymers to value-added chemicals, and finding a suitable solvent is also a major concern. Ionic liquids (ILs) have recently demonstrated their ability to dissolve and convert polyethylene terephthalate (PET) into valuable products. However, identifying an optimal IL from the large number of anion and cation combinations possible is quite challenging. To address this issue, the COSMO-RS (COnductor-like Screening MOdel for Real Solvents) model has emerged as a reliable computational tool that can screen numerous ILs based on the different thermodynamic properties that are needed for polymer dissolution. The current study demonstrates the dissolution behavior of plastic wastes in ILs using the COSMO-RS model. In this study, 99 cations and 95 anions were chosen and combined to form 9405 ILs, which were evaluated by predicting logarithmic activity coefficient (ln(γ)) and excess enthalpies (Hᴱ) of typical plastic wastes (PET, polystyrene, polypropylene, and polyvinylchloride). Based on the COSMO-RS predicted thermodynamic properties (ln(γ) and Hᴱ), anions such as acetate, formate, glycinate, and N-methylcarbamate in combination with the cations like superbase, ammonium, and pyrrolidinium are predicted to be suitable solvents for plastic dissolution. The predicted ln(γ) and Hᴱ results are further validated with the experimental results and the predicted thermodynamic properties and experimental results are in good alignment. An excess enthalpy calculation demonstrated that strong hydrogen bond interactions between the polymer and the IL are vital factors for efficient dissolution to occur, with the anion and the cation of the IL having a similar effect on the process.
    Keywords acetates ; ammonium ; computer simulation ; enthalpy ; formates ; green chemistry ; hydrogen bonding ; models ; poly(vinyl chloride) ; polyethylene terephthalates ; polypropylenes ; polystyrenes ; value added ; wastes
    Language English
    Dates of publication 2022-0523
    Size p. 4140-4152.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 2006274-6
    ISSN 1463-9270 ; 1463-9262
    ISSN (online) 1463-9270
    ISSN 1463-9262
    DOI 10.1039/d1gc03464b
    Database NAL-Catalogue (AGRICOLA)

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  7. Article ; Online: Development of dual-inducible duet-expression vectors for tunable gene expression control and CRISPR interference-based gene repression in Pseudomonas putida KT2440.

    Gauttam, Rahul / Mukhopadhyay, Aindrila / Simmons, Blake A / Singer, Steven W

    Microbial biotechnology

    2021  Volume 14, Issue 6, Page(s) 2659–2678

    Abstract: The development of P. putida as an industrial host requires a sophisticated molecular toolbox for strain improvement, including vectors for gene expression and repression. To augment existing expression plasmids for metabolic engineering, we developed a ... ...

    Abstract The development of P. putida as an industrial host requires a sophisticated molecular toolbox for strain improvement, including vectors for gene expression and repression. To augment existing expression plasmids for metabolic engineering, we developed a series of dual-inducible duet-expression vectors for P. putida KT2440. A number of inducible promoters (P
    MeSH term(s) Gene Expression ; Gene Expression Regulation, Bacterial ; Metabolic Engineering ; Plasmids/genetics ; Pseudomonas putida/genetics
    Language English
    Publishing date 2021-05-19
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 2406063-X
    ISSN 1751-7915 ; 1751-7915
    ISSN (online) 1751-7915
    ISSN 1751-7915
    DOI 10.1111/1751-7915.13832
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Complete Genome Sequences of Five Isolated Pseudomonas Strains that Catabolize Pentose Sugars and Aromatic Compounds Obtained from Lignocellulosic Biomass.

    Park, Mee-Rye / Fong, Bonnie / Tofaha, Taqwa / Simmons, Blake A / Singer, Steven

    Microbiology resource announcements

    2022  Volume 11, Issue 4, Page(s) e0098721

    Abstract: We report on complete genome sequences of five Pseudomonas soil isolates that are capable of metabolizing pentose sugars and aromatic monomers. These complete genome sequence data provide insight into possible alternative hosts for the production of ... ...

    Abstract We report on complete genome sequences of five Pseudomonas soil isolates that are capable of metabolizing pentose sugars and aromatic monomers. These complete genome sequence data provide insight into possible alternative hosts for the production of biofuels and bio-based chemicals from lignocellulosic feedstock.
    Language English
    Publishing date 2022-04-04
    Publishing country United States
    Document type Journal Article
    ISSN 2576-098X
    ISSN (online) 2576-098X
    DOI 10.1128/mra.00987-21
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Renewable Schiff-Base Ionic Liquids for Lignocellulosic Biomass Pretreatment.

    Choudhary, Hemant / Pidatala, Venkataramana R / Mohan, Mood / Simmons, Blake A / Gladden, John M / Singh, Seema

    Molecules (Basel, Switzerland)

    2022  Volume 27, Issue 19

    Abstract: Growing interest in sustainable sources of chemicals and energy from renewable and reliable sources has stimulated the design and synthesis of renewable Schiff-base (iminium) ionic liquids (ILs) to replace fossil-derived ILs. In this study, we report on ... ...

    Abstract Growing interest in sustainable sources of chemicals and energy from renewable and reliable sources has stimulated the design and synthesis of renewable Schiff-base (iminium) ionic liquids (ILs) to replace fossil-derived ILs. In this study, we report on the synthesis of three unique iminium-acetate ILs from lignin-derived aldehyde for a sustainable “future” lignocellulosic biorefinery. The synthesized ILs contained only imines or imines along with amines in their structure; the ILs with only imines group exhibited better pretreatment efficacy, achieving >89% sugar release. Various analytical and computational tools were employed to understand the pretreatment efficacy of these ILs. This is the first study to demonstrate the ease of synthesis of these renewable ILs, and therefore, opens the door for a new class of “Schiff-base ILs” for further investigation that could also be designed to be task specific.
    MeSH term(s) Aldehydes ; Amines ; Biomass ; Hydrolysis ; Imines ; Ionic Liquids/chemistry ; Lignin/chemistry ; Sugars
    Chemical Substances Aldehydes ; Amines ; Imines ; Ionic Liquids ; Sugars ; lignocellulose (11132-73-3) ; Lignin (9005-53-2)
    Language English
    Publishing date 2022-09-23
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules27196278
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Characterization of the acoustic cavitation in ionic liquids in a horn-type ultrasound reactor.

    Schieppati, Dalma / Mohan, Mood / Blais, Bruno / Fattahi, Kobra / Patience, Gregory S / Simmons, Blake A / Singh, Seema / Boffito, Daria C

    Ultrasonics sonochemistry

    2023  Volume 102, Page(s) 106721

    Abstract: Most ultrasound-based processes root in empirical approaches. Because nearly all advances have been conducted in aqueous systems, there exists a paucity of information on sonoprocessing in other solvents, particularly ionic liquids (ILs). In this work, ... ...

    Abstract Most ultrasound-based processes root in empirical approaches. Because nearly all advances have been conducted in aqueous systems, there exists a paucity of information on sonoprocessing in other solvents, particularly ionic liquids (ILs). In this work, we modelled an ultrasonic horn-type sonoreactor and investigated the effects of ultrasound power, sonotrode immersion depth, and solvent's thermodynamic properties on acoustic cavitation in nine imidazolium-based and three pyrrolidinium-based ILs. The model accounts for bubbles, acoustic impedance mismatch at interfaces, and treats the ILs as incompressible, Newtonian, and saturated with argon. Following a statistical analysis of the simulation results, we determined that viscosity and ultrasound input power are the most significant variables affecting the intensity of the acoustic pressure field (P), the volume of cavitation zones (V), and the magnitude of the maximum acoustic streaming surface velocity (u). V and u increase with the increase of ultrasound input power and the decrease in viscosity, whereas the magnitude of negative P decreases as ultrasound power and viscosity increase. Probe immersion depth positively correlates with V, but its impact on P and u is insignificant. 1-alkyl-3-methylimidazolium-based ILs yielded the largest V and the fastest acoustic jets - 0.77 cm
    Language English
    Publishing date 2023-12-13
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1208333-1
    ISSN 1873-2828 ; 1350-4177
    ISSN (online) 1873-2828
    ISSN 1350-4177
    DOI 10.1016/j.ultsonch.2023.106721
    Database MEDical Literature Analysis and Retrieval System OnLINE

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