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At least 1,657 records · Page 92

An activatable NIR fluorescent rosol for selectively imaging nitroreductase activity

Hypoxia (i.e., pO 2 ≤ ~1.5 %) is an important characteristic of tumor microenvironments that directly correlates with resistance against first-line therapies and tumor proliferation/infiltration. The ability to accurately identify hypoxic tumor cells/tissue could afford tailored therapeutic regimens for personalized treatment, the development of more-effective therapies, and discerning the mechanisms underlying disease progression. Fluorogenic constructs currently developed for identifying such tumor cells/tissue operate by targeting the bioreductive activity of primarily the nitroreductase (NTR) class of enzymes, but collectively such constructs unfortunately present photophysical and/or physicochemical shortcomings that could limit their effectiveness upon implementation. To overcome these limitations, we present the rational design, development, and evaluation of the first activatable ultracompact xanthene core-based molecular probe (NO 2 -Rosol) for selectively imaging NTR activity that affords an “OFF-ON” near-infrared (NIR) fluorescence response (ca. > 700 nm) alongside a remarkable Stokes shift (ca. > 150 nm) via NTR activity-facilitated modulation to its energetics whereby the resultant interplay discontinues an intramolecular d-PET fluorescence-quenching mechanism transpiring between directly-linked electronically-uncoupled π-systems comprising its components. DFT calculations guided selection of a suitable fluorogenic scaffold and nitroaromatic moiety candidate that when adjoined could (i) afford such photophysical response upon bioreduction by upregulated NTR activity in hypoxic tumor cells/tissue and (ii) employ a retention mechanism strategy that capitalizes on an inherent physical property of the NIR fluorogenic scaffold for achieving signal amplification. NO 2 -Rosol demonstrated 705 nm NIR fluorescence emission and a 157 nm Stokes shift, selectivity for NTR over relevant bioanalytes, and a 28- and 12-fold fluorescence enhancement in solution and between cells cultured under different oxic conditions, respectively. Finally, in establishing feasibility for NO 2 -Rosol to provide favorable contrast levels in in solutioand in vitrostudies, we anticipate NO 2 -Rosol similarly doing so in future studies towards its translation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heliostat sizing methodology for concentrating solar thermal industrial process heat projects

This study presents a method to obtain a heliostat size that minimizes the levelized cost of heat (LCOH) of a heliostat-based concentrating solar thermal system for applications of solar heating for industrial processes at operating temperatures from 565 to 1550°C. The method extends prior work by embedding a routine for system design that obtains near-optimal subsystem sizes, increasing the fidelity of drive cost functions, and adding an optical performance model to supplement the previously developed cost models, which we update to reflect current pricing trends. An illustrative business case is developed for Daggett, California, targeting specified annual thermal energy outputs of 50 to 400 GWh th . Optical performance is modeled using verified estimates from the literature. A surrogate heliostat cost model, derived from commercial heliostat designs and scaled for production volume, installation, and operations and maintenance costs, is used to develop cost functions. Results show that heliostat size strongly affects the LCOH, producing a characteristic U-shaped trend with a robust near-optimal window of 7-20 m 2 ; the heliostat size producing the lowest project cost in our study grows slightly as the project size increases, and is reduced as the operating temperature increases. The findings in this study are consistent with the general trend of smaller heliostats being deployed at existing projects for high-temperature industrial process heat and reflect the significant reduction in power electronics and other per-heliostat costs. The methodology we propose is general and can be tailored to revised cost curves as the technology continues to evolve.

14 SOLAR ENERGY↗

Novel fractal-textured solar absorber surfaces for concentrated solar power

The solar absorptance of a thermal receiver surface significantly affects the photothermal conversion efficiency of concentrated solar power (CSP) plants. The development of low-cost Gen3 CSP systems calls for increasing the solar absorptance of the thermal receivers at operating temperatures above 750 °C. This study presents an innovative approach to the fractal, multiscale texturing of absorber surfaces to significantly enhance solar energy absorption for Gen3 CSP applications. The absorber surface is described in terms of its fractal parameters that are uniquely determined from surface profile measurements. The interaction of solar radiation with the fractal surface is numerically simulated by solving the governing Maxwell’s equations for electromagnetic wave propagation to investigate the effect of texturing on the absorptance of the surfaces. It is shown that absorption of the solar spectrum increases with an increase in the fractal dimension and the multiscale asperity height of the surface texturing. Here, the theoretical model is demonstrated to be in close agreement with experimental measurements of spectral absorptance of electrodeposited copper (Cu), copper mono-oxide (CuO), and copper-manganese oxide (CuMnO) surfaces that are textured to produce a range of fractal parameters by tailoring the deposition parameters. Fractal surface texturing is shown to reduce reflectance by over one order of magnitude, yielding an absorptance of greater than 0.985 for CuMnO. For the first time, the study presents a significant effective means of increasing solar absorptance and a fundamental theoretical description of the underlying physics.

14 SOLAR ENERGY↗

CdTe-based thin film photovoltaics: Recent advances, current challenges and future prospects

Cadmium telluride (CdTe)-based cells have emerged as the leading commercialized thin film photovoltaic technology and has intrinsically better temperature coefficients, energy yield, and degradation rates than Si technologies. More than 30 GW peak (GWp) of CdTe-based modules are installed worldwide, multiple companies are in production, modules are shipping at up to 18.6% efficiency, and lab cell efficiency is above 22%. We review developments in the science and technology that have occurred over approximately the past decade. These achievements were enabled by manufacturing innovations and scaling module production, as well as maximizing photocurrent through window layer optimization and alloyed CdSe x Te 1-x (CST) absorbers. Improved chlorine passivation processes, film microstructure, and serendipitous Se defect passivation significantly increased minority carrier lifetime. Efficiencies >22% have been realized for both Cu and As doped CST-based cells. The path to further efficiency gains hinges primarily on increasing open circuit voltage (V oc ) and fill factor (FF) through innovations in materials, fabrication methods, and device stacks. Replacing the longstanding Cu doping with As doping is resulting in better module stability and is being translated to large-scale production. To realize 25% efficiency and >1 V V oc , research and development is needed to increase the minority carrier lifetime beyond 100 ns, reduce grain boundary and interface recombination, and tailor band diagrams at the front and back interfaces. Many of these goals have been realized separately however combining them together using scalable manufacturing approaches has been elusive to date. We review these achievements and outstanding opportunities for this remarkable photovoltaic technology.

14 SOLAR ENERGY↗

A bioinspired approach for adaptive solid-solid phase change material coatings with optimized surface features for passive thermal regulation

The necessity to reduce global energy consumption calls for innovative strategies in building thermal management. Passive thermal regulation, particularly through bio-inspired designs, offers a promising avenue by mimicking nature's efficient control of optical properties. This research introduces a novel, climate-responsive coating that integrates optimized bio-inspired surface features with a solid-solid phase change material (SS-PCM) to dynamically manage solar absorptivity without adding additional thickness, enabling both heating and cooling as needed. Drawing on the photonic architectures of the Saharan silver ant and Morpho Didius butterfly, we employed a modeling and multi-objective optimization framework to tailor these surface features. Simulations reveal that surface texture, rather than the intrinsic phase transition of the SS PCM, dominates optical control. Relative to a flat SS PCM coating, optimized isotropic random roughness and broader range features yielded the highest passive heating power increase of about 144 % and 319 % respectively suitable for cold climates. Saharan ant-inspired features enhanced passive cooling for hot climates, achieving a 21.8 % improvement. For moderate climates, Butterfly-wing-inspired surface features provided a balanced enhancement of 19 % for heating and 7 % for cooling. Across all cases, the optimized surface features reduced combined heating and cooling energy demand more effectively than the baseline coating, while preserving material thickness. These findings demonstrate that climate-adaptive, optimized bio-inspired surface features can unlock the full potential of SS PCM coatings, providing a versatile pathway to significant energy savings in buildings and other applications. The methodology establishes a framework for designing next-generation adaptive envelopes that leverage natural photonic principles for high-impact, low-cost thermal regulation.

36 MATERIALS SCIENCE↗

Ecologically inspired metrics for transitioning to a sustainable and resilient circular economy with application to multilayer plastic films

Current Circular Economy (CE) frameworks applied to product chains exhibit notable shortcomings. These include neglecting the resilience and robustness of design, requiring detailed economic and environmental data for impact assessment, and relying on qualitative rather than quantitative metrics capturing certain CE design aspects. In the current contribution, we addressed these shortcomings by developing an Ecologically inspired (Eco-inspired) Framework using the mathematical foundations of Ecological Network Analysis (ENA). While ENA metrics have previously found application in designing circular economies, particularly in Industrial Symbiosis (IS) networks, our adaptation tailors these metrics for use in product-level CE, recognizing the inherent distinctions between product-level CE and IS. Our Eco-inspired Framework comprises three key categories to provide holistic and granular-level metrics for designing product-level CE. The first set of metrics assesses circularity and resource efficiency. The second set gauges network intensity and robustness as complementary indicators ensuring a CE is both sustainable and resilient. The third group of metrics evaluates enhancement potential of CE strategies through introducing quantitative metrics for measuring the degree of closed-loop strategies and average circularity level of a CE design. The three comprehensive set of indicators within the Eco-inspired Framework uniquely captures various facets of circular design, whether originating from technological innovations and recovery improvement at the end of life (EoL), shifts in human consumption patterns, alterations in product design, or changes in business models. The framework’s application is tested in designing a CE for multilayer Polyethylene-Polyamide (PE-PA) films. Using the Eco-inspired Framework, we identified the best strategy for designing a resilient and sustainable CE for PE-PA films. A diverse set of EoL strategies along with a reduction in product consumption can improve circularity and resilience by 650% and 255%, respectively, and mitigate greenhouse gas emissions by 90%. The framework minimizes trade-offs between sustainability and circularity goals and offers insights on how to enhance each strategy for achieving a resilient and sustainable CE for products.

54 ENVIRONMENTAL SCIENCES↗

Probabilistic evolution of stochastic dynamical systems: A meso-scale perspective

Stochastic dynamical systems arise naturally across nearly all areas of science and engineering. Typically, a dynamical system model is based on some prior knowledge about the underlying dynamics of interest in which probabilistic features are used to quantify and propagate uncertainties associated with the initial conditions, external excitations, etc. From a probabilistic modeling standing point, two broad classes of methods exist, i.e. macro-scale methods and micro-scale methods. Classically, macro-scale methods such as statistical moments-based strategies are usually too coarse to capture the multi-mode shape or tails of a non-Gaussian distribution. Micro-scale methods such as random samples-based approaches, on the other hand, become computationally very challenging in dealing with high-dimensional stochastic systems. In view of these potential limitations, a meso-scale scheme is proposed here that utilizes a meso-scale statistical structure to describe the dynamical evolution from a probabilistic perspective. The significance of this statistical structure is twofold. First, it can be tailored to any arbitrary random space. Second, it not only maintains the probability evolution around sample trajectories but also requires fewer meso-scale components than the micro-scale samples. To demonstrate the efficacy of the proposed meso-scale scheme, a set of examples of increasing complexity are provided. Connections to the benchmark stochastic models as conservative and Markov models along with practical implementation guidelines are presented.

97 MATHEMATICS AND COMPUTING↗

Well-Tunable, 3D-printable, and Fast Autonomous Self-Healing Elastomers

Self-healing elastomers provide extended longevity of functional materials, due to their unique adaptability and durability. However, a major scientific challenge remains in developing materials with a rapid healing process combined with decent mechanical properties, that can be prepared by a relatively simple synthesis approach. Herein, we report a versatile design approach on self-healing elastomers by incorporating two different hydrogen bonding containing monomers, i.e., 2-[[(butylamino)carbonyl]oxy]ethyl acrylate (BCOE) and 2-ureido-4[1H]pyrimidinone (UPy) functionalized ethyl methacrylate. Poly(BCOE-r-UPy)s are synthesized by reversible addition-fragmentation chain-transfer (RAFT) polymerization, and controlling the ratio of two monomers enables well-tunable mechanical properties with tensile strength ranging from 0.04 to 6.3 MPa and tensile strain up to 3,000 %. The characteristic dissociation energy is calculated from a temperature dependence of terminal relaxation followed by subtracting the segmental relaxation. The rapid autonomous self-healing is achieved when the molar composition of Poly(BCOE-r-UPy) is tailored to BCOE/UPy = 99/1. The self-healing process is monitored in situ by a helium-ion microscope, and its macroscopic study using tensile tests indicates that Poly(BCOE-r-UPy1) with 1 % molar ratio of UPy recovers 70 % of its original toughness at ambient temperature within 10 mins. 3D printing of Poly(BCOE-r-UPy) affords a self-healable 3D structure, demonstrating the adaptability of Poly(BCOE-r-UPy) for on-demand fabrication. The simplicity of synthesis, well-tunable mechanical properties, unique self-healability, and 3D printing capability of Poly(BCOE-r-UPy)s indicate their potential for a range of applications.

36 MATERIALS SCIENCE↗

Porous architecture and thermal properties of thermal barrier coatings deposited by suspension plasma spray

Besides the intrinsic low heat transfer capability of material, the thermal insulation property of thermal barrier coatings (TBCs) also relies on their microstructures. For better understanding the relationship between process parameters, porous architecture, and thermal properties of coatings, YSZ coatings were firstly manufactured by suspension plasma spray (SPS). Afterwards their total porosities were characterized by using the technique of X-ray transmission, the nano/submicro pores in those coatings were detected with Ultra-Small Angle X-ray Scattering (USAXS), and the thermal properties of coatings were measured using the laser flash method. The results indicated that: i) the porous architecture of SPS coatings can be tailored by adapting process parameters. ii) increasing total porosity is an effective means for reducing the heat transfer capability of SPS coatings. iii) nano/submicro pores have higher influence sensitivity on thermal properties than that of larger pores. Increasing the content of nano-submicro pores is therefore more effective for improving the thermal insulation property of SPS coatings. The potential of SPS technique for fabricating TBCs was discussed as well.

36 MATERIALS SCIENCE↗

Adhesion, structure, and mechanical properties of Cr HiPIMS and cathodic arc deposited coatings on SiC

Chromium deposited by high-power impulse magnetron sputtering (HIPIMS) versus cathodic arc (CA) processes exhibits very different mechanical properties. Combining the two can result in a single-phase with superior performance that can be tailored for use in coating SiC for advanced nuclear fuel cladding. Coating morphology, residual stress, elemental depth profiles, and mechanical testing by scratch, pull-off adhesion, and microcantilevers are shown for HiPIMS, CA, and combined coatings. CA coatings were likely to spall and had lower adhesion strength due to tensile residual stresses but had desirable material properties. Additionally, by depositing an initial layer of Cr by HiPIMS followed by a layer of Cr by CA, a more adherent coating was achieved and some of the stress issues with CA morphology were resolved. Combined coatings withstood at least 80 MPa in pull-off adhesion tests and had maximum failure stress values of 5GPa in microcantilever tests. These results were better than either individual deposition method and point to a hybrid approach being a path forward for a more robust coating.

36 MATERIALS SCIENCE↗

Effects of growth rate and dynamic substrate tilt on properties of Au-Ta alloy films deposited by high-power impulse magnetron sputtering

Gold-tantalum (Au—Ta) alloys are promising for next-generation hohlraums for magnetically-assisted indirect-drive inertial confinement fusion. Hohlraum fabrication involves sputter deposition of ultrathick coatings on sphero-cylindrical substrates. The control of physical properties of such coatings remains a challenge. Here, in this work, we systematically study effects of the growth rate and dynamic substrate tilt on properties of AuTa 4 films deposited onto rotating planar substrates mounted at different tilt angles to mimic different regions of the sphero-cylindrical surface of a hohlraum. We use high-power impulse magnetron sputtering (HiPIMS) in the constant charge per pulse mode with a pulse duration of 100 μs, a charge per pulse of 190 μC, a peak target current of about 3 A, and the pulse frequency varied in the range of 400–1400 Hz. The Langmuir probe, mass-resolved ion energy spectrometry, and optical emission spectroscopy are used to monitor plasma discharge characteristics in order to isolate and study effects of the growth rate. The deposition rate and the ballistics and energetics of depositing species are estimated by Monte Carlo simulations. Results show that the film microstructure, crystallographic phase, residual stress, and electrical resistivity strongly depend on both the deposition rate and substrate tilt, highlighting their critical role in tailoring properties of Au—Ta films during hohlraum fabrication.

36 MATERIALS SCIENCE↗

A systematic strategy for estimating hERG block potency and its implications in a new cardiac safety paradigm

Introduction: hERG block potency is widely used to calculate a drug's safety margin against its torsadogenic potential. Previous studies are confounded by use of different patch clamp electrophysiology protocols and a lack of statistical quantification of experimental variability. Since the new cardiac safety paradigm being discussed by the International Council for Harmonisation promotes a tighter integration of nonclinical and clinical data for torsadogenic risk assessment, a more systematic approach to estimate the hERG block potency and safety margin is needed. Methods: A cross-industry study was performed to collect hERG data on 28 drugs with known torsadogenic risk using a standardized experimental protocol. A Bayesian hierarchical modeling (BHM) approach was used to assess the hERG block potency of these drugs by quantifying both the inter-site and intra-site variability. A modeling and simulation study was also done to evaluate protocol-dependent changes in hERG potency estimates. Results: A systematic approach to estimate hERG block potency is established. The impact of choosing a safety margin threshold on torsadogenic risk evaluation is explored based on the posterior distributions of hERG potency estimated by this method. The modeling and simulation results suggest any potency estimate is specific to the protocol used. Discussion: This methodology can estimate hERG block potency specific to a given voltage protocol. The relationship between safety margin thresholds and torsadogenic risk predictivity suggests the threshold should be tailored to each specific context of use, and safety margin evaluation may need to be integrated with other information to form a more comprehensive risk assessment.

60 APPLIED LIFE SCIENCES↗

A Catabolic Powerhouse for Biorefineries: Characterization and Engineering Erwinia spp. Strain LJJL01 to Produce Bioproducts

Nonmodel microbial hosts can efficiently biotransform unconventional organic feedstocks into advanced bioproducts, leveraging their superior metabolic capabilities and resilience to process-relevant physicochemical conditions. In this study, we domesticated Erwinia spp. strain. LJJL01 (Er LJJL01) as a potent microbial chassis to advance the emerging biorefinery strategy for the valorization of lignin-rich biomass and plastic, thereby enabling the circular economy. The strain exhibits remarkable chemical tolerance and can biofunnel various substrates, including sugars, acids, polyols, and aromatics, in minimal salt media to produce native fine chemicals such as acetoin, 2,3-butanediol, and lactic acid. As a proof of concept, engineering this strain with advanced genetic tools enables the production of tailored high-value chemicals, such as cis,cis-muconate from plastic-derived terephthalate and polyhydroxybutyrate from lignocellulosic hydrolysate. We established Er LJJL01 as a potent microbial chassis for the green synthesis of bioproducts from unconventional organic feedstocks.

09 BIOMASS FUELS↗

Enzymes as parts in need of replacement - and how to extend their working life

Enzymes catalyze reactions in vivo at different rates and each enzyme molecule has a lifetime limit before it is degraded and replaced to enable catalysis to continue. Considering these rates together as a unitless ratio of catalytic cycles until replacement (CCR) provides a new quantitative tool to assess the replacement schedule of and energy investment into enzymes as they relate to function. Here, we outline the challenges of determining CCRs and new approaches to overcome them and then assess the CCRs of selected enzymes in bacteria and plants to reveal a range of seven orders of magnitude for this ratio. Modifying CCRs in plants holds promise to lower cellular costs, to tailor enzymes for particular environments, and to breed enzyme improvements for crop productivity.

Catalytic rate↗

Multiscale geographically and temporally weighted regression (MGTWR): exploring the spatiotemporal heterogeneity of EV market adoption

As an innovative vehicle technology, electric vehicles are experiencing growing sales and have made significant inroads into the traditional automotive market in the United States and around the world. However, EV adoption rates vary significantly across space and over time, influenced by a complex interplay of socio-economic and infrastructural factors alongside federal and state policies. Here, this paper presents a comprehensive spatial–temporal investigation of EV market adoption within one city in the US, that of Chicago, utilizing Multiscale Geographically and Temporally Weighted Regression (MGTWR) alongside Multiscale Geographically Weighted Regression (MGWR). The aim is to unravel the spatial and temporal dynamics affecting EV adoption and to explore how the influence of various determinants of EV adoption, such as demographic factors and economic conditions, vary spatially. Moreover, by utilizing MGTWR, we provide insights into the evolution of these relationships over time, offering a predictive outlook on future EV market growth. Our findings, with an 86.6% prediction accuracy for EV market adoption, tailored policy measures to support accelerated EV adoption. Methodologically, this work advances MGWR frameworks by integrating temporal dynamics to examine nonstationary processes in spatially disaggregated contexts. These findings offer evidence–based guidance for policymakers, urban planners, and stakeholders in the automotive industry, supporting the transition toward a more sustainable and efficient transportation system.

EV Market Adoption↗

Linking transportation agent-based model ($\mathrm{ABM}$) outputs with micro-urban social types ($\mathrm{MUSTs}$) via typology transfer for improved community relevance

The human relationship with transportation is shaped by social, economic, demographic, and urban form variables, or socio-spatial factors. The spatial dynamics of these are key to generating and interpreting outputs of transportation models that are most relevant for a community and the diverse mobility needs of its members. Here we present a typology transfer framework, grounded in socio-spatial dynamics shaping people's mobility, to take transportation-themed regional mobility model outcomes, in this case from two agent-based models (ABMs), and extrapolate them to other cities, with less time and resource intensity than new ABM development. The typology transfer process first identifies micro-urban social types (MUSTs) using socio-spatial factors, then defines city types based on spatial patterns of MUSTs to assess across which cities transfer results are likely to best hold. Lastly, a typology transfer multiplier matrix extrapolates a given variable, in our case the Mobility Energy Productivity (MEP) metric, to another city. The full process demonstration uses ABM results from Chicago (POLARIS model) and San Francisco (BEAM model), applying them to New York City. We discuss how MEP or other outputs can be appropriately estimated and used for integrated, human-centered mobility analysis. Key findings include that this MUST framework of user-defined dependent and independent variables allows tailoring ABM results and interpretations to specific community needs and data availability. Findings clarify that positive outcomes can be targeted towards user groups, based on sociospatial characteristics, using a typology approach, such as inclusive access to mobility choices, transportation affordability, and greater efficiency in resource use.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Using Facebook to Recruit Urban Participants for Smartphone-Based Travel Surveys

Social media has become an integral part of everyday life for many individuals, serving as a platform to express opinions, share memories and lifestyles, follow news, and adapt to social trends and norms. The wealth of user information and analytics on these platforms has facilitated the development and sale of tailored products and services, benefiting advertisers and researchers seeking survey participants. Social media advertising has demonstrated its effectiveness in reaching hard-to-reach populations. However, transport researchers have yet to capitalise on this potential fully. This paper presents our experience using social media to recruit participants for two smartphone travel surveys conducted in Australia. We demonstrate that social media recruitment and smartphone-based travel surveys are highly effective, adaptable, and can be rapidly deployed in response to research opportunities, such as during the early phase of the COVID-19 pandemic when traditional methods may be less suitable. This approach also holds great potential for travel surveys targeting the general population. This paper shares several lessons from this experiment, including our administrative approach and detailed technical instructions to utilise open-source software tools for conducting smartphone travel surveys like ours. This approach significantly reduces study costs compared to most commercial solutions.

97 MATHEMATICS AND COMPUTING↗

4D insights into lithium-ion battery sidewall rupture during thermal runaway

Thermal runaway (TR), characterized by rapid exothermic reactions, presents a serious safety risk in lithium-ion batteries (LiBs). External triggers such as high temperatures, mechanical abuse, or internal short circuits (ISCs) can initiate TR, often resulting in sidewall rupture, which may escalate to catastrophic battery pack failure. In this study, we developed and applied high-speed synchrotron imaging techniques to investigate sidewall rupture mechanisms in LiBs subjected to different triggering scenarios. Using in situ 4D tomographic imaging, we visualized the dynamic evolution of sidewall rupture with high spatial and temporal resolution. The results revealed distinct failure behaviors linked to each trigger, underscoring the complex and condition-specific nature of sidewall breach and battery failure. These insights highlight the critical importance of implementing tailored safety strategies across diverse applications. Our findings demonstrate the powerful potential of synchrotron high-speed tomography as a diagnostic tool for advanced safety testing and cell qualification.

25 ENERGY STORAGE↗