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At least 1,081 records · Page 60

A network model for natural ventilation simulation in deep buried underground structures

The study of underground natural ventilation opportunities has become increasingly significant in recent years with its promise of wide application in underground structures such as underground hydro power stations, metro stations, underground parking and laboratories. It is recognized that deployment of natural ventilation constitutes a passive technology that can lead to significant energy conservation if applied judiciously. This paper focuses on underground buildings that are buried deeply and typically consist of an underground complex network of connected structures. The other characteristic is that these structures house machinery and devices that generate heat, leading to elevated internal air temperatures. Combined with the deep location, it implies that buoyancy forces are significant which make natural ventilation through vertical shaft openings a viable option. These characteristics demand a study of the heat transfer processes between ambient conditions, soil and underground buildings. In this paper, we present a dynamic flow network model with loops for multizone airflow and apply it to deep buried underground structures considering the dominant heat transfer characteristics, not only through the elements of the network but also the heat exchange with the envelope and adjacent soil mass. Finally, a small-scale experiment of occurring airflow is conducted and compared with the outcomes of the dynamic simulation of the proposed model. The comparison serves as validation and illustration of the application potential of the network model for natural ventilation investigation and consecutive optimization of its use in underground buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ten questions concerning energy flexibility in buildings

Demand side energy flexibility is increasingly being viewed as an essential enabler for the swift transition to a low-carbon energy system that displaces conventional fossil fuels with renewable energy sources while maintaining, if not improving, the operation of the energy system. Building energy flexibility may address several challenges facing energy systems and electricity consumers as society transitions to a low-carbon energy system characterized by distributed and intermittent energy resources. For example, by changing the timing and amount of building energy consumption through advanced building technologies, electricity demand and supply balance can be improved to enable greater integration of variable renewable energy. Although the benefits of utilizing energy flexibility from the built environment are generally recognized, solutions that reflect diversity in building stocks, customer behavior, and market rules and regulations need to be developed for successful implementation. In this paper, we pose and answer ten questions covering technological, social, commercial, and regulatory aspects to enable the utilization of energy flexibility of buildings in practice. In particular, we provide a critical overview of techniques and methods for quantifying and harnessing energy flexibility. We discuss the concepts of resilience and multi-carrier energy systems and their relation to energy flexibility. We argue the importance of balancing stakeholder engagement and technology deployment. Finally, we highlight the crucial roles of standardization, regulation, and policy in advancing the deployment of energy flexible buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Smart thermostat data-driven U.S. residential occupancy schedules and development of a U.S. residential occupancy schedule simulator

Occupancy schedule is one of the key inputs in Building Energy Modeling (BEM) to reflect the interaction between buildings and occupants. Over the past decades, standardized occupancy schedules, developed mainly by engineering rule-of-thumb, have been widely used in BEM due to its simplicity and lack of real measured occupancy data. However, the BEM community has recognized their association with uncertainty and reliability in simulation results from BEM. This study introduces representative occupancy schedules in the U.S. residential buildings, derived from a large smart thermostat dataset and time-series K-means clustering, and an open-source tool to generate a stochastic residential occupancy schedule. Over 90,000 residential occupancy schedules were estimated from the ecobee Donate Your Data dataset. Then, the representative occupancy schedules were identified through clustering. This study further investigated the impacts of three parameters (day, house type, and state) on residential occupancy schedules. Then, a tool, the Residential Occupancy Schedule Simulator (ROSS), is developed using the representative occupancy schedules derived in this study. Details of this tool are presented in this paper. In conclusion, the derived representative occupancy schedules and the ROSS tool can help improve the energy modeling of residential buildings.

42 ENGINEERING↗

The future low-temperature geochemical data-scape as envisioned by the U.S. geochemical community

Data sharing benefits the researcher, the scientific community, and the public by allowing the impact of data to be generalized beyond one project and by making science more transparent. However, many scientific communities have not developed protocols or standards for publishing, citing, and versioning datasets. One community that lags in data management is that of low-temperature geochemistry (LTG). This paper resulted from an initiative from 2018 through 2020 to convene LTG and data scientists in the U.S. to strategize future management of LTG data. Through webinars, a workshop, a preprint, a townhall, and a community survey, the group of U.S. scientists discussed the landscape of data management for LTG – the data-scape. Currently this data-scape includes a “street bazaar” of data repositories. This was deemed appropriate in the same way that LTG scientists publish articles in many journals. The variety of data repositories and journals reflect that LTG scientists target many different scientific questions, produce data with extremely different structures and volumes, and utilize copious and complex metadata. Nonetheless, the group agreed that publication of LTG science must be accompanied by sharing of data in publicly accessible repositories, and, for sample-based data, registration of samples with globally unique persistent identifiers. LTG scientists should use certified data repositories that are either highly structured databases designed for specialized types of data, or unstructured generalized data systems. Recognizing the need for tools to enable search and cross-referencing across the proliferating data repositories, the group proposed that the overall data informatics paradigm in LTG should shift from “build data repository, data will come” to “publish data online, cybertools will find”. Funding agencies could also provide portals for LTG scientists to register funded projects and datasets, and forge approaches that cross national boundaries. Finally, the needed transformation of the LTG data culture requires emphasis in student education on science and management of data.

58 GEOSCIENCES↗

The role of ozone in the formation and structural evolution of graphene oxide obtained from nanographite

Chemical exfoliation of graphite under strong oxidizing conditions yields graphene oxide nanosheets with oxy functional groups on the carbon basal plane. The importance of ozone in the chemical oxidation mechanism of graphite by the widely-used Hummers' method has been largely overlooked. Herein we demonstrate that the ozonolysis of graphite leads to the formation of secondary epoxy and perox-ymonosulfate ester functional groups arising from a rotationally hindered Criegee intermediate and sulfuric acid, in a strongly favored thermodynamic process. This mechanistic step is followed by formation of adjacent epoxy and hydroxy groups as major functionalities on graphene oxides via a radical process, and leaves a significant amount of unreacted peroxides well above levels previously recognized. The thermal decomposition of graphene releases sulfur oxygen species (SO 2 and SO), but does not appear to release ozone even if this reaction pathway is moderately favored thermodynamically. Here we propose anew structural model for graphene oxide based on detailed chemical and spectroscopic data that provides insight into observed chemical reactivity and physical properties, including the antimicrobial activity and protein deactivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Inverse design of two-dimensional graphene/h-BN hybrids by a regressional and conditional GAN

Design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. To tackle this challenge, in this work we propose a novel regressional and conditional generative adversarial network (RCGAN) for inverse design of representative two-dimensional materials, the graphene and boron-nitride (BN) hybrids. RCGAN incorporates a supervised regressor network, thus overcoming the common technical barrier in the traditional unsupervised GANs, which cannot generate data when fed with continuous and quantitative labels. RCGAN can autonomously generate graphene/BN hybrids given any target bandgap values. These structures are distinguished from the ones used for training and exhibit high diversity for a given bandgap. Moreover, they exhibit high fidelity, yielding bandgaps within ~10% MAE F of the desired bandgaps as validated by density functional theory (DFT) calculations. Analysis by the principle component analysis (PCA) and modified locally linear embedding (MLLE) reveals that the generator has successfully generated structures following the statistical distribution of the real structures. It implies the possibility of the RCGAN in recognizing physical rules hidden in the high-dimensional data. The novel strategy for designing regressional GAN architecture together with the successful application to inverse design of materials would inspire further exploration in research fields beyond materials.

36 MATERIALS SCIENCE↗

Organo-mineral interactions in active layer and permafrost soils along aging Arctic landscapes

Rising temperatures are accelerating permafrost thaw, exposing large soil organic carbon (SOC) stocks to microbial decomposition with implications for global climate. Understanding how permafrost carbon is stored and protected through associations with minerals is critical for predicting its vulnerability to decomposition upon thaw. However, how landscape age, substrate chemistry, and soil depth influence mineral associations remain relatively unexplored. We investigated organo-mineral associations in active layer and permafrost soils across a landscape age and geochemical gradient on Alaska’s North Slope, spanning three glaciated (~11,500–125,000 years) and one unglaciated site. Using selective dissolution extractions, X-ray diffraction, and Mössbauer spectroscopy, we characterized minerals and their relationship with SOC. The three recently deglaciated sites had low soil pH that decreased with age and greater abundances of pyrophosphate- and oxalate-extractable Al and Fe, whereas the oldest unglaciated site exhibited near-neutral pH, greater pyrophosphate-extractable Ca, and distinct mineralogy. Across sites, SOC was positively associated with Al and Fe mineral phases, with stronger relationships in acidic soils. Pyrophosphate-extractable Ca also showed strong relationships with SOC at the acidic sites (up to ~10x greater), suggesting that Ca-mediated protection may operate beyond traditionally recognized high-pH soils. Permafrost soils showed depth-related changes in pH, SOC, and Fe mineralogy, suggesting chemically active, heterogeneous layers may shape mineral dynamics and associated carbon. Our results highlight how landscape age, parent material, and depth create distinct geochemical environments that govern mineral-organic associations. As thaw exposes soil to new conditions, these mineral-mediated protection mechanisms may be altered, potentially affecting the permafrost carbon-climate feedback.

Synthetic Biology↗

Electron bifurcation

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solar (fuels), biofuels (including algae and bioma↗

Cement and concrete as carbon sinks: Transforming a climate challenge into a carbon storage opportunity

Cement and concrete, while traditionally recognized as the main contributors to anthropogenic CO 2 emissions, also have untapped capacity to serve as substantial and scalable carbon sinks. This perspective examines how engineered mineral carbonation can transform cement-based materials into functional carbon storage systems, generating both environmental and economic value. We review the fundamental mechanisms of CO 2 uptake in cementitious systems, highlighting current limitations in reaction kinetics, phase control, and durability under varying environmental conditions. Emphasis is placed on the utilization of alkaline industrial residues and emerging magnesium-based cements, which offer synergistic pathways for carbon sequestration and circular resource use. We further assess the performance trade-offs associated with CO 2 uptake and the feasibility of deploying these technologies on industrial scales. A strategic roadmap is proposed that integrates scientific innovation, regulatory alignment, and carbon accounting in the life cycle to accelerate the adoption of carbon-storing concrete. This perspective provides a comprehensive framework to advance cement and concrete as engineered carbon sinks and supports the transition to a climate-positive construction industry.

Carbon storage↗

Pendant/bridged/mesoporous silsesquioxane nanoparticles: Versatile and biocompatible platforms for smart delivery of therapeutics

Silsesquioxane nanoparticles are composed of repetitive organosilica fragments in their frameworks and are now recognized to have outstanding functional fertility. Depending on the organosilane and the synthetic pathways, silsesquioxane NPs can be pendant, bridged, dense or porous. Recently the diverse functionalities of mesoporous silsesquioxane nanoparticles have been exploited for the sake of drug-related biomedicine. Fine-tuning the silsesquioxane nanoparticles characteristics allow not only a superior retention capacity of therapeutics without the need of any further modification, but also a controlled release through various environmentally-stimulated triggers. Furthermore, the main focus of the present review is to highlight the different types of silsesquioxane nanoparticles and their exceptional features focused on controlled delivery of drugs, proteins, antibodies and DNA through pH, redox or light stimuli.

60 APPLIED LIFE SCIENCES↗

A review of microwave-assisted process intensified multiphase reactors

Microwaves provide alternative heating and allow process intensification due to their rapid, volumetric, and selective nature. Recognizing the central role of multiphase reactors in chemical industry, a recent surge in employing microwaves is observed. We review the recent experimental and modeling investigations of microwave heating of multiphase reactors with emphasis on chemical engineering applications. Here we demonstrate that there is accumulated evidence for improved performance via microwave heating and a clear opportunity for further process intensification. In most of the cases, this improved performance stems from a temperature gradient between two phases. We discuss the ongoing debate on the mechanism by which microwaves affect chemical processes exacerbated by the inability of measuring the temperature distribution in a microwave cavity. We outline recent progress in this direction in monolith reactors and needs for future work. We underscore the lack of detailed modeling and simulation tools even for single-phase systems and emphasize the imperative for multiscale predictive modeling to bridge the experimental-modeling gap. Promising results are shown by a few recently published modeling studies that can predict the experimental measurements in complex multiphase reactors. A combination of experimental and modeling tools can provide a comprehensive picture of the microwave multiphase reactors as well as a means toward scale-up and optimization.

42 ENGINEERING↗

Constructing efficient CuO x -CeO 2 catalyst for NO reduction by CO: New insights into the structure–activity relationship

CuO-CeO 2 based materials have been recognized as promising substitutes for precious metal catalysts in emission control field due to their superior redox property and low cost. In this work, by optimizing the deposition process of CeO 2 and CuO onto γ-Al 2 O 3 , highly dispersed CuO clusters on unique CeO 2 -Al 2 O 3 support with small CeO 2 particles (7Cu-Ce/CeAl) were successfully constructed for efficient NO reduction by CO, which exhibited much higher NO removal efficiency and N 2 selectivity than CuO catalysts supported on γ-Al 2 O 3 (7Cu/Al) and conventional CeO 2 -Al 2 O 3 support (7Cu/CeAl). Moreover, H 2 O showed limited inhibition effect on the catalytic performance of 7Cu-Ce/CeAl catalyst. With the help of Raman spectra, X-ray absorption spectroscopy, in situ diffuse reflectance infrared Fourier transform spectroscopy, etc., it was clearly revealed that the abundant Cu + /Ce 3+ paired sites with surface synergetic oxygen vacancies (SSOV) on 7Cu-Ce/CeAl catalyst could effectively facilitate the adsorption and activation of CO and NO, thus significantly enhancing the NO removal efficiency.

36 MATERIALS SCIENCE↗

Ru/MgO catalyst with dual Ru structure sites for efficient CO production from CO 2 hydrogenation

The development and comprehension of supported metal catalysts for CO 2 hydrogenation is of paramount importance in mitigating the net CO 2 emissions. Supported Ru catalysts have been widely recognized in facilitating CO 2 methanation, on which recent findings suggest that the CO 2 hydrogenation process can be manipulated to favor the reverse water–gas shift (RWGS) pathway by precisely adjusting the size of Ru particles. However, the size-dependent impact of Ru remains a topic of lively debate. In this work, Ru/MgO catalysts with Ru in the form of single atoms (Ru 1 ) and few-atom cluster (Ru FAC ) structures were prepared for CO 2 hydrogenation. The 1.0Ru/MgO catalyst (with 1 wt.% of Ru), featuring a mixture of Ru 1 and Ru FAC with a size of 0.6–1.0 nm, showed the highest CO yield (38% at 500 °C) with balanced CO 2 conversion and CO selectivity. Transient CO 2 hydrogenation and temperature-programmed surface reaction (TPSR) studies suggested that the adsorbed CO 2 species participated in CO 2 hydrogenation. On Ru 1 sites, CO 2 hydrogenation followed the RWGS pathway, resulting in the production of CO. In contrast, on Ru FAC sites, the enhanced H 2 dissociation ability, along with the presence of adsorbed bidentate and monodentate carbonate species at the Ru-MgO interfaces, facilitated the formation of CH 4 through the CO 2 methanation pathway. In conclusion, this study highlights the critical roles of Ru structure and local environment in defining the CO 2 hydrogenation pathways and provides new design principles for highly active Ru-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of pH on potassium sulfite based alkali pretreatment of corn stover under mild conditions

Sulfite salt-based alkali pretreatment is increasingly recognized as an effective method for biomass pretreatment under mild temperature conditions. However, the effects of pH on the pretreatment process are not yet fully understood. In this study, the pretreatment of corn stover using potassium sulfite (KS) combined with aqueous ammonia (AA) at 80 °C was investigated within a pH range of 9–14. Results demonstrated that high pH environment established by combining KS with AA is critical for enhancing sulfonation modifications, effectively removing lignin, facilitating deacetylation, and significantly improving the total sugar yield. For example, when comparing KS alone at pH 9.7, AA alone at pH 13, and KS combined with AA at pH 13, the delignification rates were 13.82 %, 67.71 %, and 71.27 %, respectively; the deacetylation rates were 25.84 %, 81.19 %, and 82.54 %, respectively; and the total sugar yields were 24.85 %, 78.96 %, and 92.12 %, respectively. The X-ray photoelectron spectroscopy (XPS) results confirmed that sulfonation reactions occurred under low-temperature and high pH conditions, leading to enhanced delignification efficiency. Results also showed that the cellulase adsorption, water retention, and the enzymatic digestibility of the pretreated solids increased along with rising pH. Moreover, nuclear magnetic resonance (NMR) analysis revealed that KS-based alkali pretreatment retained more β-O-4 native bonds in the pretreated lignin-rich hydrolysate than alkali pretreatment alone did, providing promising opportunities for the subsequent upgrading of lignin into high-value products.

09 BIOMASS FUELS↗

Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses

Antibodies capable of neutralizing divergent influenza A viruses could form the basis of a universal vaccine. Here, from subjects enrolled in an H5N1 DNA/MIV-prime-boost influenza vaccine trial, we sorted hemagglutinin cross-reactive memory B cells and identified three antibody classes, each capable of neutralizing diverse subtypes of group 1 and group 2 influenza A viruses. Co-crystal structures with hemagglutinin revealed that each class utilized characteristic germline genes and convergent sequence motifs to recognize overlapping epitopes in the hemagglutinin stem. All six analyzed subjects had sequences from at least one multidonor class, and—in half the subjects—multidonor-class sequences were recovered from >40% of cross-reactive B cells. By contrast, these multidonor-class sequences were rare in published antibody datasets. Vaccination with a divergent hemagglutinin can thus increase the frequency of B cells encoding broad influenza A-neutralizing antibodies. We propose the sequence signature-quantified prevalence of these B cells as a metric to guide universal influenza A immunization strategies.

60 APPLIED LIFE SCIENCES↗

DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins

Tandem zinc finger (ZF) proteins are the largest and most rapidly diverging family of DNA-binding transcription regulators in mammals. ZFP568 represses a transcript of placental-specific insulin like growth factor 2 (Igf2-P0) in mice. ZFP568 binds a 24-base pair sequence-specific element upstream of Igf2-P0 via the eleven-ZF array. Both DNA and protein conformations deviate from the conventional one finger-three bases recognition, with individual ZFs contacting 2, 3, or 4 bases and recognizing thymine on the opposite strand. These interactions arise from a shortened minor groove caused by an AT-rich stretch, suggesting adaptability of ZF arrays to sequence variations. Despite conservation in mammals, mutations at Igf2 and ZFP568 reduce their binding affinity in chimpanzee and humans. Furthermore, our studies provide important insights into the evolutionary and structural dynamics of ZF-DNA interactions that play a key role in mammalian development and evolution.

59 BASIC BIOLOGICAL SCIENCES↗

Convergent Structures Illuminate Features for Germline Antibody Binding and Pan-Lassa Virus Neutralization

Lassa virus (LASV) causes hemorrhagic fever and is endemic in West Africa. Protective antibody responses primarily target the LASV surface glycoprotein (GPC), and GPC-B competition group antibodies often show potent neutralizing activity in humans. However, which features confer potent and broadly neutralizing antibody responses is unclear. Here, we compared three crystal structures of LASV GPC complexed with GPC-B antibodies of varying neutralization potency. Each GPC-B antibody recognized an overlapping epitope involved in binding of two adjacent GPC monomers and preserved the prefusion trimeric conformation. Differences among GPC-antibody interactions highlighted specific residues that enhance neutralization. Using structure-guided amino acid substitutions, we increased the neutralization potency and breadth of these antibodies to include all major LASV lineages. The ability to define antibody residues that allow potent and broad neutralizing activity, together with findings from analyses of inferred germline precursors, is critical to develop potent therapeutics and for vaccine design and assessment.

59 BASIC BIOLOGICAL SCIENCES↗