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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report

The Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report outlines key insights and actionable recommendations for accelerating the scale-up of disruptive chemical manufacturing technologies. Convened in October 2024, the workshop brought together approximately fifty experts from academia, industry, national laboratories, and government agencies to address the barriers and solutions for maturing technologies from proof-of-concept to commercialization. The report identifies seven critical themes for enabling faster scale-up. These themes were explored through general discussions and breakout sessions focused on three specific chemical manufacturing technologies—electrochemical, thermochemical, and biological conversion processes. The findings emphasize the importance of interdisciplinary collaboration, robust funding mechanisms, and shared resources to overcome technical barriers and accelerate technology deployment. The report also highlights technology-specific challenges and opportunities, including the need for advanced materials, scalable manufacturing processes, and integrated testing environments. For electrochemical manufacturing processes, durability and material optimization are key priorities, while thermochemical processes require novel reactor designs and better supply chain integration. Biological conversion processes face hurdles in strain engineering, reactor design, and process integration. Across all technologies, the workshop emphasized the importance of leveraging computational tools, standardized protocols, and collaborative networks to address knowledge gaps and technical barriers. By acting on these insights, stakeholders can reduce the timeline for scaling up critical chemical manufacturing technologies, ensuring their timely impact on manufacturing competitiveness, and environmental sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Phosphoketolase pathway engineering for carbon-efficient biocatalysis

Recent advances in metabolic engineering have facilitated the development of microbial biocatalysts capable of producing an array of bio-products, ranging from fuels to drug molecules. These bio-products are commonly generated through an acetyl-CoA intermediate, which serves as a key precursor in the biological conversion of carbon substrates. Moreover, conventional biocatalytic upgrading strategies proceeding through this route are limited by low carbon efficiencies, in large part due to carbon losses associated with pyruvate decarboxylation to acetyl-CoA. Bypass of pyruvate decarboxylation offers a means to dramatically enhance carbon yields and, in turn, bioprocess economics. Here, we discuss recent advances and prospects for employing the phosphoketolase pathway for direct biosynthesis of acetyl-CoA from carbon substrates, and phosphoketolase-based metabolic engineering strategies for carbon efficient biocatalysis.

09 BIOMASS FUELS↗
DOE OSTI2026

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗
NASA NTRS1978

Bioconversion study conducted by JPL

The Jet Propulsion Laboratory (JPL) of Caltech conducted a study of bioconversion as a means of identifying the role of biomass for meeting the national energy fuel and chemical requirements and the role and means for JPL-Caltech involvement in bioconversion. The bioconversion study included the following categories; biomass sources, chemicals from biomass, thermochemical conversion of biomass to fuels, biological conversion of biomass to fuels and chemicals, and basic bioconversion sciences. A detailed review is included of the bioconversion fields cited with specific conclusions and recommendations given for future research and development and overall biomass system engineering and economic studies.

Kalvinskas, J.↗
DOE OSTI2020

Nanoporous Catalysts for Biomass Conversion

Transforming plant biomass to biofuel and chemicals has become a global effort as results of increasing fuel demand but diminishing fossil-based energy preservation and rising concerns of climate and environmental impact. Various conversion routes involving thermochemical and biological conversions have been established and well-studied. Heterogeneous catalysis is playing a critical role in the biomass conversion and, with some unique catalytic properties, nanoporous catalysts have been extensively utilized in catalytic process of biomass conversion and exhibited exciting catalytic performance. This chapter will be devoted to nanoporous catalysts used in biomass conversion. It will start with a brief introduction of current biomass conversion technologies and then a detailed review of the application of various nanoporous materials in a large diversity of catalytic reactions in biomass conversion. The nanoporous materials include zeolites and zeotypes, metal-organic frameworks (MOFs), nanoporous carbons and carbon nitrides, nanoporous oxides, hydroxides and complex oxide forms, porous organic polymers (POPs), and porous metals.

Shi, Hui↗
DOE OSTI2020

Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation

As efforts to move a renewable economy grow, it will be necessary to make use of microbial conversion strategies for the production of novel materials or the upgrading of waste to high-value products. One critical technical challenge currently limiting waste upgrading remains the difficulty in obtaining single-pot conversion techniques where physical, chemical, and biological conversion are performed in a single step. To overcome this challenge, a detailed understanding of how different stresses impact microbial membrane stability will be necessary. In this work, using all-atom molecular dynamics simulations, we examine the impacts of moderate concentrations of NaCl and CaCl 2 on a model yeast plasma membrane. Weak, though statistically significant, changes in membrane morphology and dynamics functions are observed that are consistent with swelling and stiffening. Additionally, an examination of the ion-lipid contacts and the behavior of water at the water-membrane interface suggests that the impacts of these common salts may, in part, be mediated through changes to water-membrane hydrogen-bonding and hydration water dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

BETO 2021 Peer Review - Catalytic Upgrading of Biochemical Intermediates (CUBI) 2.3.1.101-104

The Catalytic Upgrading of Biochemical Intermediates (CUBI) project is a multi-lab effort within ChemCatBio (CCB) that is focused on improving the catalytic upgrading of intermediates from biochemical deconstruction and/or biological conversion (i.e. fermentation) to fuels and chemical co-products. This is accomplished by developing catalysts with improved performance and durability, mitigating the impact of biogenically-derived inhibitors (including water), and evaluating intensified processes to reduce separations requirements and improve carbon utilization. Specific catalytic upgrading routes being developed are: 1) fermentation-derived 2,3-butanediol (BDO); 2) fermentation-derived carboxylic acids; and 3) lignocellulosic sugar-derived furfurals. These routes represent key technology pathways being investigated within BETO's biochemical conversion portfolio. By utilizing experimental and characterization capabilities and modeling tools across the 4 CUBI labs and collaborations with CCB Enabling Projects, the CUBI project is advancing catalytic upgrading process performance and robustness. Its impact is already well-established by several high-impact journal articles and patent publications, along with industrial engagement in related, competitively-awarded collaborations. The CUBI project will result in >25% MFSP cost reduction in the catalytic upgrading section of integrated biochemical conversion routes, as quantified by ongoing TEA modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Use of the lignocellulose-degrading bacterium Caldicellulosiruptor bescii to assess recalcitrance and conversion of wild-type and transgenic poplar

Abstract Background Biological conversion of lignocellulosic biomass is significantly hindered by feedstock recalcitrance, which is typically assessed through an enzymatic digestion assay, often preceded by a thermal and/or chemical pretreatment. Here, we assay 17 lines of unpretreated transgenic black cottonwood ( Populus trichocarpa ) utilizing a lignocellulose-degrading, metabolically engineered bacterium, Caldicellulosiruptor bescii . The poplar lines were assessed by incubation with an engineered C. bescii strain that solubilized and converted the hexose and pentose carbohydrates to ethanol and acetate. The resulting fermentation titer and biomass solubilization were then utilized as a measure of biomass recalcitrance and compared to data previously reported on the transgenic poplar samples. Results Of the 17 transgenic poplar lines examined with C. bescii , a wide variation in solubilization and fermentation titer was observed. While the wild type poplar control demonstrated relatively high recalcitrance with a total solubilization of only 20% and a fermentation titer of 7.3 mM, the transgenic lines resulted in solubilization ranging from 15 to 79% and fermentation titers from 6.8 to 29.6 mM. Additionally, a strong inverse correlation ( R 2 = 0.8) between conversion efficiency and lignin content was observed with lower lignin samples more easily converted and solubilized by C. bescii . Conclusions Feedstock recalcitrance can be significantly reduced with transgenic plants, but finding the correct modification may require a large sample set to identify the most advantageous genetic modifications for the feedstock. Utilizing C. bescii as a screening assay for recalcitrance, poplar lines with down-regulation of coumarate 3-hydroxylase 3 (C3H3) resulted in the highest degrees of solubilization and conversion by C. bescii . One such line, with a growth phenotype similar to the wild-type, generated more than three times the fermentation products of the wild-type poplar control, suggesting that excellent digestibility can be achieved without compromising fitness of the tree.

09 BIOMASS FUELS↗
DOE OSTI2024

Sustainable aviation fuels from biomass and biowaste via bio- and chemo-catalytic conversion: Catalysis, process challenges, and opportunities

Sustainable aviation fuel (SAF) production from biomass and biowaste streams is an attractive option for decarbonizing the aviation sector, one of the most-difficult-to-electrify transportation sectors. Despite ongoing commercialization efforts using ASTM-certified pathways (e.g., lipid conversion, Fischer-Tropsch synthesis), production capacities are still inadequate due to limited feedstock supply and high production costs. New conversion technologies that utilize lignocellulosic feedstocks are needed to meet these challenges and satisfy the rapidly growing market. Combining bio- and chemo-catalytic approaches can leverage advantages from both methods, i.e., high product selectivity via biological conversion, and the capability to build C-C chains more efficiently via chemical catalysis. Herein, conversion routes, catalysis, and processes for such pathways are discussed, while key challenges and meaningful R&D opportunities are identified to guide future research activities in the space. Bio and chemo-catalytic conversion primarily utilize the carbohydrate fraction of lignocellulose, leaving lignin as a waste product. This makes lignin conversion to SAF critical in order to utilize whole biomass, thereby lowering overall production costs while maximizing carbon efficiencies. Thus, lignin valorization strategies are also reviewed herein with vital research areas identified, such as facile lignin depolymerization approaches, highly integrated conversion systems, novel process configurations, and catalysts for the selective cleavage of aryl C–O bonds. The potential efficiency improvements available via integrated conversion steps, such as combined biological and chemo-catalytic routes, along with the use of different parallel pathways, are identified as key to producing all components of a cost-effective, 100% SAF.

09 BIOMASS FUELS↗
DOE OSTI2023

Accelerating the development of a sustainable bioenergy portfolio through stable isotopes

Bioenergy could help limit global warming to 2°C above pre-industrial levels while supplying almost a fourth of the world's renewable energy needs by 2050. However, the deployment of bioenergy raises concerns that adoption at meaningful scales may lead to unintended negative environmental consequences. Meanwhile, the full consolidation of a bioenergy industry is currently challenged by a sufficient, resilient, and resource-efficient biomass supply and an effective conversion process. Here, we provide a comprehensive analysis of how stable isotope approaches have accelerated the development of a robust bioeconomy by advancing knowledge about environmental sustainability, feedstock development, and biological conversion. We show that advances in stable isotope research have generated crucial information to (1) gain mechanistic insight into the potential of bioenergy crops to mitigate climate change as well as their impact on water and nutrient cycling; (2) develop high-yielding, resilient feedstocks that produce high-value bioproducts in planta; and (3) engineer microbes to enhance feedstock conversion to bioenergy products. Further, we highlight knowledge gaps that could benefit from future research facilitated by stable isotope approaches. We conclude that advances in mechanistic knowledge and innovations within the field of stable isotopes in cross-disciplinary research actions will greatly contribute to breaking down the barriers to establishing a robust bioeconomy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Chapter 8. Hybrid Biological–Inorganic Systems for CO 2 Conversion to Fuels

The biological reduction of CO 2 into organic carbon is integral to the formation and maintenance of all life on earth. An urgent need to mitigate the effects of CO 2 on our atmosphere has provided an imperative to exploit biological CO 2 fixation for the conversion of CO2 into valuable and energy rich fuels. Photosynthesis uses only sunlight, water, and CO2 as starting materials to form all biomass.

CO2 Conversion to Fuels↗
DOE OSTI2019

Coupling biology to synthetic nanomaterials for semi-artificial photosynthesis

Biohybrid artificial photosynthesis intends to combine the advantages of biological specificity with a range of synthetic nanomaterials to create innovative semi-synthetic systems for solar-to-chemical conversion. Biological systems utilize highly efficient molecular catalysts for reduction-oxidation reactions. They can operate with minimal overpotentials while selectively channeling reductant energy into specific transformation chemistries and product forming pathways. Nanomaterials can be synthesized to have efficient light-absorption capacity and tuneability of charge separation by manipulation of surface chemistries and bulk compositions. These complementary aspects have been combined in a variety of ways, for example, where biological light-harvesting complexes function as antenna for nanoparticle catalysts or where nanoparticles function as light capture, charge separation components for coupling to chemical conversion by redox enzymes and whole cells. The synthetic diversity that is possible with biohybrids is still being explored. The progress emerging from creative approaches is generating new model systems to inspire scale-up technologies and generate understanding of the fundamental mechanisms that control energy conversion at the molecular scale. These attempts are leading to discoveries of essential design principles that can enable the development of scalable artificial photosynthesis systems.

09 BIOMASS FUELS↗
DOE OSTI2022

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products (2021 State of Technology and Future Research)

The annual State of Technology (SOT) assessment is an essential activity for biochemical platform research. It allows the impact of research progress to be quantified in terms of economic improvements in the overall cellulosic biofuel production process for a particular conversion pathway. As such, initial benchmarks can be established for currently demonstrated performance and progress can be tracked towards out-year goals to ultimately demonstrate cost-competitive cellulosic biofuel technology. The purpose of this report is to benchmark the latest experimental developments across a number of potential bioconversion pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this state of technology, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL's recently-published 2018 biochemical design report focused on those two pathways. The models were run across three scenarios for lignin utilization, namely combustion, conversion to coproducts based on "base case" performance with biomass hydrolysate, and conversion to coproducts based on "high" performance demonstrated with model lignin monomer components. A key improvement reflected in the 2021 SOT is centered around making use of the latest lignin conversion data, which over the past year focused primarily on production of ß-ketoadipate (BKA) as a more optimal molecule compared to the closely-related adipic acid coproduct of prior recent focus, both in terms of superior product properties and biology, as well as reduced processing complexity (reducing two steps for sequential production of muconate followed by hydrogenation to adipic acid down to a single step for direct production of BKA). This update translated to a roughly 17% increase in mass yield of final coproduct output at a nearly four-fold increase in fermentation productivity on lignin monomers relative to prior 2020 SOT benchmarks for muconic/adipic acid production.

09 BIOMASS FUELS↗
DOE OSTI2014

Techno-Economic Analysis of Bioconversion of Methane into Biofuel and Biochemical (Poster)

In light of the relatively low price of natural gas and increasing demands of liquid transportation fuels and high-value chemicals, attention has begun to turn to novel biocatalyst for conversion of methane (CH4) into biofuels and biochemicals [1]. A techno-economic analysis (TEA) was performed for an integrated biorefinery process using biological conversion of methane, such as carbon yield,process efficiency, productivity (both lipid and acid), natural gas and other raw material prices, etc. This analysis is aimed to identify research challenges as well provide guidance for technology development.

03 NATURAL GAS↗
DOE OSTI2015

PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems

These funds were used for partial support of the PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems, that was held on 8-11 August, 2013, at Washington University, St. Louis, MO. This conference, held in conjunction with the 16th International Congress on Photosynthesis/St. Louis, continued a long tradition of light-harvesting satellite conferences that have been held prior to the previous six international photosynthesis congresses. In this Workshop, the basis was explored for the current interest in replacing fossil fuels with energy sources derived form direct solar radiation, coupled with light-driven electron transport in natural photosynthetic systems and how they offer a valuable blueprint for conversion of sunlight to useful energy forms. This was accomplished through sessions on the initial light-harvesting events in the biological conversion of solar energy to chemically stored energy forms, and how these natural photosynthetic processes serve as a guide to the development of robust bio-hybrid and artificial systems for solar energy conversion into both electricity or chemical fuels. Organized similar to a Gordon Research Conference, a lively, informal and collegial setting was established, highlighting the exchange of exciting new data and unpublished results from ongoing studies. A significant amount of time was set aside for open discussion and interactive poster sessions, with a special session devoted to oral presentations by talented students and postdoctoral fellows judged to have the best posters. This area of research has seen exceptionally rapid progress in recent years, with the availability of a number of antenna protein structures at atomic resolution, elucidation of the molecular surface architecture of native photosynthetic membranes by atomic force microscopy and the maturing of ultrafast spectroscopic and molecular biological techniques for the investigation and manipulation of photosynthetic systems. The conferees represented a diverse international and multidisciplinary group, with over 160 individuals attending from a total of 17 different countries. Attendees came from a wide range of fields assuring that the widest possible interdisciplinary exchanges. They included prominent biochemists, biophysicists, plant physiologists, chemical physicists, as well as theoretical and computational physical chemists, who presented their research findings or to hear the latest advances in this very dynamic field. In the choice of speakers, a balance was created between established scientists and young, emerging researchers, given this opportunity to showcase their results. Sessions were held on electronic and vibrational coherence including coherent sharing of excitations among donor and acceptor molecules during excitation energy transfer, nonphotochemical quenching, acclimation to light environments, evolution, adaptation and biodiversity of light-harvesting pigment-protein complexes, their structure and membrane organization, spectroscopy and dynamics, as well as artificial antenna systems. A joint session was also held with the participants from the Cyanobacterial Satellite Conference. A special issue of Photosynthesis Research devoted to light harvesting (Volume 121, Issue No. 1, July 2014) has recently appeared which contains peer-reviewed original research contributions arising from talks and posters presented at the PS2013 Satellite Workshop on Photosynthetic Light-Harvesting Systems. Edited by the Organizers of the Workshop, Robert E. Blankenship, Harry A. Frank and Robert A. Niederman, it includes topics ranging from the isolation of new bacteriochlorophyll species from green bacteria, temperature effects on the excited states of the newly discovered chlorophyll (Chl) ƒ, new architectures for enhancing energy capture by biohybrid light-harvesting complexes, forces governing the formation of light-harvesting rings, spectroscopy of carotenoids of algae and diatoms and the supramolecular organization of caroteno-Chl proteins in diatoms, the molecular basis for urea dissociation of phycocyanin trimers and the role of vibronic molecular excitation theory in describing the spectral dynamics of pigment-protein complexes.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

CO2-Based Manufacturing System for Recombinant Protein Production

Space biomanufacturing is a potential In Situ Resource Utilization (ISRU) strategy to provide critical consumables and products while minimizing the launched mass for long-duration, deep space missions. On Earth, the primary biological conversion of CO 2 to biomass is through photosynthesis, and sugars from photosynthetic organisms are used as feedstocks for microbial biomanufacturing. The efficiency of non-biological reduction of CO 2 to organic molecules, such as acetate or ethanol, has greatly increased in recent years. We are designing a biomanufacturing system to rely on electrochemical CO 2 conversion products for carbon substrates to support microbial growth and production of recombinant proteins. The preliminary design includes a gas-permeable membrane bioreactor with dry salts that are rehydrated and mixed with the carbon source to support growth of bacteria or yeast. The system architecture has a partially automated bioprocessing system to concentrate biomass and purify recombinant protein. This system is designed to operate semi-autonomously with minimal crew intervention. The specific use-case scenario is to produce a thermal stable carbonic anhydrase to increase the efficiency of a proposed liquid amine CO 2 removal subsystem of an environmental control and life-support system (ECLSS) on Mars.

Biomanufacturing↗
NASA NTRSDate not supplied

Development of a Space Compatible Biomanufacturing System

Space biomanufacturing is a potential In Situ Resource Utilization (ISRU) strategy to provide critical consumables and products while minimizing the launched mass for long-duration, deep space missions. On Earth, the primary biological conversion of CO 2 to biomass is through photosynthesis, and sugars from photosynthetic organisms are used as feedstocks for microbial biomanufacturing. The efficiency of non-biological reduction of CO 2 to organic molecules, such as acetate or ethanol, has greatly increased in recent years. We are designing a biomanufacturing system to rely on electrochemical CO 2 conversion products for carbon substrates to support microbial growth and production of recombinant proteins. The preliminary design includes a gas-permeable membrane bioreactor with dry salts that are rehydrated and mixed with the carbon source to support growth of bacteria or yeast. The system architecture has a partially automated bioprocessing system to concentrate biomass and purify recombinant protein. This system is designed to operate semi-autonomously with minimal crew intervention. The specific use-case scenario is to produce a thermal stable carbonic anhydrase to increase the efficiency of a proposed liquid amine CO 2 removal subsystem of an environmental control and life-support system (ECLSS) on Mars.

Recombinant↗