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Summary: Current solutions to global challenges place tension between global benefits and local impacts. The result is increasing opposition to implementation of beneficial climate policies. Prioritizing investment in projects with tangible local benefits that also contribute to global climate change can resolve this tension and make local communities’ partners instead of antagonists to change; the approach advocated is a new take on “thinking globally, acting locally”. This approach is a departure from the usual strategy of focusing resources on solutions perceived to have the largest potential global impact, without regards to local concerns. Reclamation of polluted mine sites by using fast growing bamboo to remove heavy metals provides a case study to show what is possible. Effective implementation of thinking globally while acting locally will require increased coordination between different types of researchers, new educational models, and greater stakeholder participation in problem identification and solution development. more...

Hydrothermal liquefaction (HTL) has remarkable potential for efficient conversion of abundant, decentralized organic wastes into renewable fuels. Because waste is a highly distributed resource with context-dependent economic viability, selection of optimal deployment sites is slowed by the need to develop detailed techno-economic analyses (TEA) for the thousands of potential deployment locations, each with their own unique combinates of scale, proximity to infrastructure/markets, and feedstock properties. An economic modeling framework that requires only easily obtainable inputs for assessing economic performance would therefore allow multiplexed analysis of many thousands of cases, whereas traditional TEA would not be possible for more than a handful of cases. Within such a context, the present study uses machine learning to guide development of a TEA and modeling framework which provides accurate cost predictions using three key inputs – feedstock cost, biocrude yield, and process scale – to estimate the minimum fuel selling price (MFSP) that an HTL process can achieve. The structure of the proposed framework is informed and based on empirical observations of cost projections made by a detailed TEA over a wide range of feedstock costs, biocrude yields, and process scales. A machine learning guided process was used to identify, train, and test a series of models using auto-generated data for training and independently reported data for testing. The most accurate model consists of three terms and requires 6 adjustable parameters to predict independently published values of MFSP (N = 28) to within an average value of ± 20.4%. It is demonstrated that the reduced-order model’s predictions fall within 40% of the corresponding published values 95% of the time, and in the worst case, the associated discrepancy is 45.9%, suggesting that the accuracy of the machine learned model is indeed comparable to the TEAs that were used to build it. Moreover, the terms in the model are physically interpretable, conferring greater reliability to the use of its predictions. The model can be used to predict the dependence of MSFP on biocrude yield, scale, and feedstock cost; interestingly, MFSP is insensitive to biocrude yield and/or scale under many situations of interest and identifying the critical value for a given application is crucial to optimizing economic performance. The proposed model can be also extended to evaluate economic performance of newly developed HTL-based processes, including catalytic HTL, and the methodological framework used in this study is deemed appropriate for the development of machine learned TEA models in cases of other similar waste-to-energy technologies. more...

Abstract MF-LOGP, a new method for determining a single component octanol–water partition coefficients ( $$LogP$$ LogP ) is presented which uses molecular formula as the only input. Octanol–water partition coefficients are useful in many applications, ranging from environmental fate and drug delivery. Currently, partition coefficients are either experimentally measured or predicted as a function of structural fragments, topological descriptors, or thermodynamic properties known or calculated from precise molecular structures. The MF-LOGP method presented here differs from classical methods as it does not require any structural information and uses molecular formula as the sole model input. MF-LOGP is therefore useful for situations in which the structure is unknown or where the use of a low dimensional, easily automatable, and computationally inexpensive calculations is required. MF-LOGP is a random forest algorithm that is trained and tested on 15,377 data points, using 10 features derived from the molecular formula to make $$LogP$$ LogP predictions. Using an independent validation set of 2713 data points, MF-LOGP was found to have an average $$RMSE$$ RMSE = 0.77 ± 0.007, $$MAE$$ MAE = 0.52 ± 0.003, and $${R}^{2}$$ R 2 = 0.83 ± 0.003. This performance fell within the spectrum of performances reported in the published literature for conventional higher dimensional models ( $$RMSE$$ RMSE = 0.42–1.54, $$MAE$$ MAE = 0.09–1.07, and $${R}^{2}$$ R 2 = 0.32–0.95). Compared with existing models, MF-LOGP requires a maximum of ten features and no structural information, thereby providing a practical and yet predictive tool. The development of MF-LOGP provides the groundwork for development of more physical prediction models leveraging big data analytical methods or complex multicomponent mixtures. Graphical Abstract more...

Summary: β-glucan is the major component of the extracellular matrix (ECM) of many fungi, including wood degrading fungi. Many of these species also secrete oxalate into the ECM. Our research demonstrates that β-glucan forms a novel, previously unreported, hydrogel at room temperature with oxalate. Oxalate was found to alter the rheometric properties of the β-glucan hydrogels, and modeling showed that β-glucan hydrogen bonds with oxalate in a non-covalent matrix. Change of oxalate concentration also impacted the diffusion of a high-molecular-weight protein through the gels. This finding has relevance to the diffusion of extracellular enzymes into substrates and helps to explain why some types of wood-decay fungi rely on non-enzymatic degradation schemes for carbon cycling. Further, this research has potential impact on the diffusion of metabolites in association with pathogenic/biomedical fungi. more...

A systematic and structure-agnostic method for identifying heterogeneous activity of solid acids for catalyzing cellulose hydrolysis is presented. The basis of the method is preparation of a supernatant liquid by exposing the solid acid to reaction conditions and subsequent use of the supernatant liquid as a cellulose hydrolysis catalyst to determine the effects of in situ generated homogeneous acid species. The method was applied to representative solid acid catalysts, including polymer-based, carbonaceous, inorganic, and bifunctional materials. In all cases, supernatant liquids produced from these catalysts exhibited catalytic activity for cellulose hydrolysis. Direct comparison of the activity of the solid acid catalysts and their supernatants could not provide unambiguous detection of heterogeneous catalysis. A reaction pathway kinetic model was used to evaluate potential false-negative interpretation of the supernatant liquid test and to differentiate heterogeneous from homogeneous effects on cellulose hydrolysis. Lastly, differences in the supernatant liquids obtained in the presence and absence of cellulose were evaluated to understand possibility of false-positive interpretation, using structural evidence from the used catalysts to gain a fresh understanding of reactant–catalyst interactions. While many solid acid catalysts have been proposed for cellulose hydrolysis, to our knowledge, this is the first effort to attempt to differentiate the effects of heterogeneous and homogeneous activities. The resulting supernatant liquid method should be used in all future attempts to design and develop solid acids for cellulose hydrolysis. more...

Low- and middle-income countries have tremendous potential for renewable energy production, including production of renewable carbon from locally prolific crops. In this work, bamboo endemic to West Africa (Bambusa vulgaris) was studied as a feedstock for the production of renewable sugars as the gateway to the local production of biofuels and bio-based chemical products. The effectiveness of delignification and amorphization pretreatments was evaluated, with the observation that quantitative (97 ± 4%) sugar yields could be obtained with a rapid initial hydrolysis rate (82 ± 4 mg g−1 h−1) but only when amorphization was performed following delignification. Experimental measurements and further characterization using 13C solid state nuclear magnetic resonance (NMR) helped establish the importance of amorphization and delignification and explained why the order of these treatments determined their effectiveness. The economics of the bamboo-based process were compared with those projected for corn stover, selected as a well-studied benchmark crop. Because of the higher bamboo growth rate compared with corn stover and the effectiveness of the pretreatment, the projected net present value (NPV) of the bamboo biorefinery was positive ($190 MM, U.S.), whereas the corn biorefinery projected to negative NPV (−$430 MM, U.S.). A socially sustainable framework for deployment of a bamboo biorefinery in a low- or middle-income economy was then proposed, guided by the principle of local ownership and stakeholder buy-in. The findings presented here motivate further investment in development of bamboo cultivation and conversion to sugars as a rapid route to decarbonization of low- and middle-income economies. more...

End-product toxicity, culture contamination, and energy efficient product recovery are long-standing issues in bioprocessing. Here, the authors address these problems using a fermentation strategy that combines microbial production of branched alcohols with supercritical carbon dioxide extraction. more...

Approximately 15 million dry tons of food waste is produced annually in the United States (USA), and 92% of this waste is disposed of in landfills where it decomposes to produce greenhouse gases and water pollution. Hydrothermal liquefaction (HTL) is an attractive technology capable of converting a broad range of organic compounds, especially those with substantial water content, into energy products. The HTL process produces a bio-oil precursor that can be further upgraded to transportation fuels and an aqueous phase containing water-soluble organic impurities. Converting small oxygenated compounds that partition into the water phase into larger, hydrophobic compounds can reduce aqueous phase remediation costs and improve energy yields. HTL was investigated at 300 °C and a reaction time of 1 h for conversion of an institutional food waste to bio-oil, using either homogeneous Na2CO3 or heterogeneous CeZrOx to promote in situ conversion of water-soluble organic compounds into less oxygenated, oil-soluble products. Results with food waste indicate that CeZrOx improves both bio-oil higher heating value (HHV) and energy recovery when compared both to non-catalytic and Na2CO3-catalyzed HTL. The aqueous phase obtained using CeZrOx as an HTL catalyst contained approximately half the total organic carbon compared to that obtained using Na2CO3—suggesting reduced water treatment costs using the heterogeneous catalyst. Experiments with model compounds indicated that the primary mechanism of action was condensation of aldehydes, a reaction which simultaneously increases molecular weight and oxygen-to-carbon ratio—consistent with the improvements in bio-oil yield and HHV observed with institutional food waste. The catalyst was stable under hydrothermal conditions (≥16 h at 300 °C) and could be reused at least three times for conversion of model aldehydes to water insoluble products. Energy and economic analysis suggested favorable performance for the heterogeneous catalyst compared either to non-catalytic HTL or Na2CO3-catalyzed HTL, especially once catalyst lifetime differences were considered. The results of this study establish the potential of heterogeneous catalysts to improve HTL economics and energetics. more...