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At least 613 records · Page 34

Three paths toward the quantum angle operator

We examine mathematical questions around angle (or phase) operator associated with a number operator through a short list of basic requirements. We implement three methods of construction of quantum angle. The first one is based on operator theory and parallels the definition of angle for the upper half-circle through its cosine and completed by a sign inversion. The two other methods are integral quantization generalizing in a certain sense the Berezin–Klauder approaches. One method pertains to Weyl–Heisenberg integral quantization of the plane viewed as the phase space of the motion on the line. It depends on a family of “weight” functions on the plane. The third method rests upon coherent state quantization of the cylinder viewed as the phase space of the motion on the circle. The construction of these coherent states depends on a family of probability distributions on the line.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven prediction of α IIb β 3 integrin activation paths using manifold learning and deep generative modeling

The integrin heterodimer is a transmembrane protein critical for driving cellular process and is a therapeutic target in the treatment of multiple diseases linked to its malfunction. Activation of integrin involves conformational transitions between bent and extended states. Some of the conformations that are intermediate between bent and extended states of the heterodimer have been experimentally characterized, but the full activation pathways remain unresolved both experimentally due to their transient nature and computationally due to the challenges in simulating rare barrier crossing events in these large molecular systems. An understanding of the activation pathways can provide new fundamental understanding of the biophysical processes associated with the dynamic interconversions between bent and extended states and unveil new putative therapeutic targets. In this work, we apply nonlinear manifold learning to coarse-grained molecular dynamics simulations of bent, extended, and two intermediate states of αI I b β3 integrin to learn a low-dimensional embedding of the configurational phase space. We then train deep generative models to learn an inverse mapping between the low-dimensional embedding and high-dimensional molecular space and use these models to interpolate the molecular configurations constituting the activation pathways between the experimentally characterized states. Furthermore, this work furnishes plausible predictions of integrin activation pathways and reports a generic and transferable multi-scale technique to predict transition pathways for biomolecular systems.

97 MATHEMATICS AND COMPUTING↗

Towards the development of a standardized testing protocol for overhead island kitchen exhaust devices: Procedures, measurements and paths forward

Cooking is one of the most important sources of airborne pollutants in the indoor environments of residential buildings. Elevated concentrations of NO 2 due to cooking have been reported widely (Garret et al. 1998; Garrett et al. 1999; Mullen et al. 2016; Ryan et al. 1988; Schwab et al. 1994; J. Spengler et al. 1994; J. D. Spengler et al. 1983; Wilson et al. 1995). Many researchers have attributed elevated particulate concentrations to cooking, and some have attributed extremely high short-term concentrations of fine particles (>300 μg/m3) and ultrafine particles (>105 μg/m3) to cooking events (Abdullahi et al. 2013; Abt et al. 2000; Afshari et al. 2005; Buonanno et al. 2009; He et al. 2004; Kearney et al. 2011; Lance A. Wallace et al. 2004; See and Balasubramanian 2008; Stieb et al. 2008; Wallace and Ott 2011; Wheeler et al. 2011; Zhang et al. 2010). Cooking is also a source of other gas-phase pollutants including carbon monoxide, formaldehyde, acrolein, and other volatile organic compounds (Garret et al. 1998; Garrett et al. 1999; Logue et al. 2013; Mullen et al. 2016; Ryan et al. 1988; Schwab et al. 1994; J. Spengler et al. 1994; J. D. Spengler et al. 1983; V. Seaman et al. 2007; Wilson et al. 1995). Lastly, cooking can be a significant source of water vapor, and the water vapor produced from cooking can eventually lead to moisture-related problems (Parrott and Emmel 2003)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Membrane design for non-aqueous redox flow batteries: Current status and path forward

Redox flow batteries are promising technologies for large-scale, long-duration energy storage applications. Among them, non-aqueous redox flow batteries (NARFB) represent a transformative flow battery system since NARFBs potentially offer a higher energy density than aqueous flow batteries. However, many technical challenges remain for NARFBs, including the lack of high-performance membranes, low solubility of redox materials, and poor cycling efficiencies. Membranes serve a vital function in NARFBs, as they allow for selective ion transport while providing separation between the anolyte and catholyte. NARFB membrane development is an emerging research area, and this article reviews their design and critical factors that influence membrane properties, including solvent uptake, ion transport, and redox species permeability. A greater understanding of membrane behavior in non-aqueous solutions provides design principles for developing next-generation membranes for NARFB. In conclusion, we summarize the challenges, target metrics, and future perspectives for NARFBs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Dark matter in the coming decade: Complementary paths to discovery and beyond

Here, we summarize the many dark matter searches currently being pursued through four complementary approaches: direct detection, indirect detection, collider experiments, and astrophysical probes. The essential features of broad classes of experiments are described, each with their own strengths and weaknesses. Furthermore, we discuss the complementarity of the different dark matter searches qualitatively and illustrated quantitatively in two simple theoretical frameworks. Our primary conclusion is that the diversity of possible dark matter candidates requires a balanced program drawing from all four approaches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bridging the divide between theory and guidance in strategic environmental assessment: A path for Italian regions

Clear and effective legislation is a requisite to bring sustainable development from theory into practice. This paper develops a methodology to investigate how Italian regional legislation disciplines the use of Strategic Environmental Assessment (SEA), the procedure used in the European Union (EU) to pursue sustainable development of policies, plans, and programs (PPPs). Our case study is the Italian regional level, examined to identify eventual flaws and areas for improvement for each regional legislative framework. For this purpose, this study refers to a selection of analytical criteria recurring in the international debate on sustainability assessments. Statistical multi-dimensional analysis is used to identify Italian regions with similar SEA legislation. We recognize four taxonomies, depending on the way regional legislation provides information about i) legislation and guidelines, ii) integration between SEA and PPPs, iii) sustainability goals, iv) technical organization, v) participatory organization, and vi) monitoring. The results suggest that Italian administrators should cooperate to improve legislation at the regional level. Acknowledging the institution-centred nature of SEA, this methodology could drive the EU to better support SEA development in countries with diversified traditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Modified alkaline peroxide pretreatment: An efficient path forward for bioethanol production from bamboo

To overcome the typical delignification saturation point of alkaline peroxide pretreatment and further facilitate lignin removal, a novel modified alkaline hydrogen peroxide pretreatment (MAHP) was proposed by introducing ethanol into the reaction system. The dosages of H 2 O 2 , ethanol, and pretreatment temperature were optimized, and the results revealed that a maximum lignin removal as high as 79.25% could be achieved at only 100 °C, 3 wt% H 2 O 2 concentration and 1 wt% ethanol concentration. Meanwhile, 76.5% of glucan and 56.0% of xylan were preserved at this pretreatment condition. By overcoming the delignification saturation point, enzymatic hydrolysis efficiency was remarkably enhanced, achieving 96.76% and 97.38% of glucan and xylan conversion, respectively, which are 7.4 and 11.4 times as compared to that of the untreated bamboo. Furthermore, the simultaneous saccharification and fermentation (SSF) result indicated an identical ethanol yield of ~75% when elevating the SSF solid loading from 5% to 30%. Based on the sequential SSF and xylose fermentation results, about 5.6 tons of bamboo would be consumed to produce 1 ton of ethanol. Finally, the energy balance revealed that a positive balance of 1255.4 KJ could be generated via processing 1 kg bamboo. Here, the results demonstrate that the MAHP is a promising high-efficiency pretreatment technology for bamboo due to the mild pretreatment severity and robust ethanol yield.

30 DIRECT ENERGY CONVERSION↗

The path to 2060: Saudi Arabia's long-term pathway for GHG emission reduction

Saudi Arabia, as part of its Saudi Green Initiative, has announced its goal to achieve net zero green-house gas emissions by 2060. This ambitious target underscores the nation's dedication to address-ing climate change. However, there is a significant gap in comprehensive analysis regarding the long-term effects of Saudi Arabia's climate policies and their collective contribution towards the net-zero objective. This study endeavors to bridge this gap through a detailed examination using the GCAM-KSA, a specialized version of the Global Change Analysis Model tailored for Saudi Arabia, employing a multi-sectoral methodology that integrates economic, energy, and land use systems within a coherent framework to assess the impact of climate policies on GHG emissions. Our anal-ysis reveals that reaching net-zero GHG emissions by 2060 is a complex challenge requiring con-certed efforts across all sectors of the economy. While transitioning to low-carbon electricity and improving energy efficiency offer considerable emission reductions, fully decarbonizing the indus-trial and transportation sectors poses a significant hurdle. Our findings suggest that Saudi Arabia must triple its emission reduction commitments in its next Nationally Determined Contributions (NDCs) update to align with its 2060 net-zero goal. Early action and increased ambition could avoid the chances of getting locked into the high emission assets and give enough time to transform the energy system. Furthermore, the adoption and integration of Carbon Dioxide Removal (CDR) tech-nologies are identified as crucial for offsetting residual emissions, especially in sectors that might continue to rely on fossil fuels.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗