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At least 595 records · Page 33

The bamboo delignification saturation point in alkaline hydrogen peroxide pretreatment and its association with enzymatic hydrolysis

A delignification saturation point (DSP) was observed for bamboo alkaline hydrogen peroxide pretreatment (AHP). Lignin removal was increased from 52.23% to ~70% when increasing H 2 O 2 dosage from 0% to 2% at the optimum pH, but it cannot be further reinforced as increasing the H 2 O 2 . With partial lignin preserved, the glucan hydrolysis yield was found to have a ceiling of ~80%. This work indicated a strong association between enzymatic digestibility and lignin removal. Anatomical analysis by fluorescence microscope and confocal Raman microscope revealed that the undegradable lignin was mainly existing in the cell corner of sclerenchyma fibers, causing the DSP in the bamboo AHP. Finally, the residual lignin in pretreated bamboo was characterized with GPC, HSQC NMR, and 31 P NMR, which revealed the nature of DSP. This study could help to understand the lignin modification during the AHP and further contribute to the establishment of a chemical-saving biorefinery.

09 BIOMASS FUELS↗

Engineering micromotion in Floquet prethermalization via space-time symmetries

We present a systematic framework for Floquet prethermalization under strong resonant driving, emphasizing the pivotal role of dynamical space-time symmetries. Our approach demonstrates how dynamical space-time symmetries map onto the projective static symmetry group of the prethermal Hamiltonian governing the prethermal regime. We introduce techniques for detecting dynamical symmetries through the time evolution of local observables, facilitating a detailed analysis of micromotion within each period and surpassing the limitations of conventional stroboscopic Floquet prethermal dynamics. To implement this framework, we present a prethermal protocol that preserves order-2 dynamical symmetry in a spin-ladder model, confirming the predicted relationships between the expectation values of local observables at distinct temporal points in the Floquet cycle, linked by this symmetry.

floquet systems↗

A chromosome-scale reference genome of trifoliate orange ( Poncirus trifoliata ) provides insights into disease resistance, cold tolerance and genome evolution in Citrus

Trifoliate orange (Poncirus trifoliata), a deciduous close relative of evergreen Citrus, has important traits for citrus production, including tolerance/resistance to citrus greening disease (Huanglongbing, HLB) and other major diseases, and cold tolerance. It has been one of the most important rootstocks, and one of the most valuable sources of resistance and tolerance genes for citrus. Here we present a high-quality, chromosomescale genome assembly of P. trifoliata. The 264.9-Mb assembly contains nine chromosomal pseudomolecules with 25 538 protein-coding genes, covering 97.2% of the estimated gene space. Comparative analyses of P. trifoliata and nine Citrus genomes revealed 605 species-specific genes and six rapidly evolving gene families in the P. trifoliata genome. Poncirus trifoliata has evolved specific adaptation in the C-repeat/ DREB binding factor (CBF)-dependent and CBF-independent cold signaling pathways to tolerate cold. We identified candidate genes within quantitative trait loci for HLB tolerance, and at the loci for resistance to citrus tristeza virus and citrus nematode. Genetic diversity analysis of Poncirus accessions and Poncirus/ Citrus hybrids shows a narrow genetic base in the US germplasm collection, and points to the importance of collecting and preserving more natural genetic variation. Two phenotypically divergent Poncirus accessions are found to be clonally related, supporting a previous conjecture that dwarf Flying Dragon originated as a mutant of a non-dwarfing type. The high-quality genome reveals features and evolutionary insights of Poncirus, and it will serve as a valuable resource for genetic, genomic and molecular research and manipulation in citrus.

54 ENVIRONMENTAL SCIENCES↗

Prediction of subsonic aircraft flows with jet exhaust interactions

A numerical procedure to calculate the flow fields resulting from the viscous inviscid interactions that occur when a strong jet exhaust and aircraft flow field coupling exists was developed. The approach divides the interaction region into zones which are either predominantly viscous or inviscid. The flow in the inviscid zone, which surrounds most of the aircraft, is calculated using an existing potential flow code. The viscous flow zone, which encompasses the jet plume, is modeled using a parabolized Navier-Stokes code. The procedure features the coupling of the zonal solutions such that sufficient information is transferred between the zones to preserve the effects of the interactions. The zonal boundaries overlap and the boundary conditions are the information link between zones. An iteration scheme iterates the coupled analysis until convergence has been obtained.

Roberts, D. W.↗

MOSAIC: Software for creating mosaics from collections of images

We have developed a powerful, versatile image processing and analysis software package called MOSAIC, designed specifically for the manipulation of digital astronomical image data obtained with (but not limited to) two-dimensional array detectors. The software package is implemented using the Interactive Data Language (IDL), and incorporates new methods for processing, calibration, analysis, and visualization of astronomical image data, stressing effective methods for the creation of mosaic images from collections of individual exposures, while at the same time preserving the photometric integrity of the original data. Since IDL is available on many computers, the MOSAIC software runs on most UNIX and VAX workstations with the X-Windows or Sun View graphics interface.

Varosi, F.↗

Advanced Signal Processing Methods Applied to Digital Mammography

The work reported here is on the extension of the earlier proposal of the same title, August 1994-June 1996. The report for that work is also being submitted. The work reported there forms the foundation for this work from January 1997 to September 1997. After the earlier work was completed there were a few items that needed to be completed prior to submission of a new and more comprehensive proposal for further research. Those tasks have been completed and two new proposals have been submitted, one to NASA, and one to Health & Human Services WS). The main purpose of this extension was to refine some of the techniques that lead to automatic large scale evaluation of full mammograms. Progress on each of the proposed tasks follows. Task 1: A multiresolution segmentation of background from breast has been developed and tested. The method is based on the different noise characteristics of the two different fields. The breast field has more power in the lower octaves and the off-breast field behaves similar to a wideband process, where more power is in the high frequency octaves. After the two fields are separated by lowpass filtering, a region labeling routine is used to find the largest contiguous region, the breast. Task 2: A wavelet expansion that can decompose the image without zero padding has been developed. The method preserves all properties of the power-of-two wavelet transform and does not add appreciably to computation time or storage. This work is essential for analysis of the full mammogram, as opposed to selecting sections from the full mammogram. Task 3: A clustering method has been developed based on a simple counting mechanism. No ROC analysis has been performed (and was not proposed), so we cannot finally evaluate this work without further support. Task 4: Further testing of the filter reveals that different wavelet bases do yield slightly different qualitative results. We cannot provide quantitative conclusions about this for all possible bases without further support. Task 5: Better modeling does indeed make an improvement in the detection output. After the proposal ended, we came up with some new theoretical explanations that helps in understanding when the D4 filter should be better. This work is currently in the review process. Task 6: N/A. This no longer applies in view of Tasks 4-5. Task 7: Comprehensive plans for further work have been completed. These plans are the subject of two proposals, one to NASA and one to HHS. These proposals represent plans for a complete evaluation of the methods for identifying normal mammograms, augmented with significant further theoretical work.

Stauduhar, Richard P.↗

Search for Organic Nanoglobules in Carbonaceous Chondrites Using Microtomography

Primitive solar materials have various organic matters. In recent years, novel organic materials called organic nanoglobules of a few hundred micrometers in typical size were discovered in carbonaceous chondrites, IDPs, and comet 81P/Wild 2. The organic globules are spherical shape and in many cases with hollow structures. Composition of the globules are mainly aromatic carbon. The isotopic anomalies of SD and 6N 15 observed in the globules indicate that they were formed from photochemical reaction to ice particles at very low temperature environment, such as molecular clouds or outer protosolar disk. Aqueous alteration of organic matters and the gamma-ray irradiation to PAH are also suggested as alternative possible formation processes. If the globules are made from organic ice particles, the hollow regions of the globules are suggested to be once filled with volatile H20-rich organic ices, while if they were formed by aqueous alteration, the hollow regions should be filled with a fluid which caused the aqueous alteration. However, fluids in the globules have not been detected so far in the previous studies. If fluids were originally preserved in the hollows, they might be lost during destructive processes of sample separation or preparation for TEM observation. X-ray computed tomography (CT) is a nondestructive method which can determine 3-D internal structures of objects. SR (synchrotron radiation)-based imaging microtomography can give submicron spatial resolution [8] and was applied to micro textures in extraterrestrial materials, such as cometary grains captured by the Stardust mission [9]. If organic globules are observed non-destructively in carbonaceous chondrites by tomography, we can check the presence of fluids in the hollows. If fluids are preserved, we may analyze chemical and isotopic compositions of the fluids. The purpose of this study is to observe organic nanoglobules using imaging tomography for future analysis.

Matsumoto, T.↗

Turboelectric and Hybrid Electric Aircraft Drive Key Performance Parameters

NASA has been investigating electrified aircraft propulsion as a means of furthering its goals of reducing fuel burn, emissions, and noise. However, the electric drive components required introduce weight and efficiency penalties at odds with these goals. The purpose of this paper is to propose electric drive specific power, electric drive efficiency, and electrical propulsion fraction as the key performance parameters for fully turboelectric, partially turboelectric, and parallel hybrid electric aircraft power systems. The impacts of these parameters on overall aircraft performance are investigated. Range equations for each aircraft type are described. The benefits and costs that may result from the electrified propulsion systems are enumerated. A breakeven analysis is conducted to find the minimum allowable electric drive specific power and efficiency, for a given electrical propulsion fraction and battery specific energy, that can preserve the range, payload weight, input energy, and ratio of operating empty weight to initial weight of the conventional aircraft.

turboelectric aircraft propulsion↗

Turboelectric and Hybrid Electric Aircraft Drive Key Performance Parameters

NASA has been investigating electrified aircraft propulsion as a means of furthering its goals of reducing fuel burn, emissions, and noise. However, the electric drive components required introduce weight and efficiency penalties at odds with these goals. The purpose of this paper is to propose electric drive specific power, electric drive efficiency, and electric propulsion fraction as the key performance parameters for fully turboelectric, partially turboelectric, and parallel hybrid electric aircraft power systems. The impact of these parameters on overall aircraft performance are investigated. Range equations for each aircraft type are described. The benefits and costs that may result from the electrified propulsion systems are enumerated. A breakeven analysis is conducted to find the minimum allowable electric drive specific power and efficiency, for a given electrical propulsion fraction and battery specific energy, that can preserve the range, payload weight, input energy, and ratio of operating empty weight to initial weight of the conventional aircraft.

Duffy, Kirsten P.↗

The Columbia Debris Loan Program; Examples of Microscopic Analysis

Following the tragic loss of the Space Shuttle Columbia NASA formed The Columbia Recovery Office (CRO). The CRO was initially formed at the Johnson Space Center after the conclusion of recovery operations on May 1,2003 and then transferred .to the Kennedy Space Center on October 6,2003 and renamed The Columbia Recovery Office and Preservation. An integral part of the preservation project was the development of a process to loan Columbia debris to qualified researchers and technical educators. The purposes of this program include aiding in the advancement of advanced spacecraft design and flight safety development, the advancement of the study of hypersonic re-entry to enhance ground safety, to train and instruct accident investigators and to establish an enduring legacy for Space Shuttle Columbia and her crew. Along with a summary of the debris loan process examples of microscopic analysis of Columbia debris items will be presented. The first example will be from the reconstruction following the STS- 107 accident and how the Materials and Pro~es~steesa m used microscopic analysis to confirm the accident scenario. Additionally, three examples of microstructural results from the debris loan process from NASA internal, academia and private industry will be presented.

Russell, Rick↗

Hopanoid Biomarker Preservation In Coniform (Phormidium) Stromatolites in Siliceous Thermal Springs, Yellowstone National Park

The microbial communities that characterize modem hydrothermal ecosystems serve as modern analogs to those thought to have dominated early environments on Earth and possibly Mars. The importance of such hydrothermal systems as targets in exploring for an early biosphere on Mars is well established. Such work provides an important basis for the analysis of Martian samples associated with such environments. The surviving molecular structure and isotopic signature of diagnostic lipid biomarkers found as chemical fossils can provide a link between modern bacterially dominated ecosystems and their ancient counterparts. We are interested in the processes involved in the deposition and/or degradation of organic material in moderately thermal, silicifying microbial mats, particularly as this relates to the potential for preservation of some biomarker components known to be more highly resistant to microbial degradation. Several excellent biomarker molecules are associated with the cyanobacteria that dominate these mats, particularly the 2-methylbacteriohopanepolyols (2-MeBHP). These compounds are ubiquitous on Earth and are not easily degraded in nature, a fact documented by their detection in ancient Earth rocks dating back as far as 2,700 Ma.

Jahnke, Linda L.↗

Qualitative Headspace GCMS Analysis of Lunar Regolith and Volatile Simulant Mixtures

Introduction: Future Artemis missions aim to return the volatile-bearing samples collected near lunar polar craters. We, as advanced curation scientists, are responsible for developing techniques and methodologies for preserving the integrity of returned samples and the science value those samples contain. The extent to which that preservation is possible, and the trade-offs preservation requires (e.g. monetary costs, sample volume limitations) all must be considered. Even less-than pristine volatile-bearing samples will be of tremendous value to the scientific community seeking to unravel the history of lunar surface volatiles and, more broadly, volatiles in the solar system. A sample collected on the lunar surface will experience at least five distinctive periods during which any changes here referred to as “alteration” will certainly occur at some scale: collection on the lunar surface; transportation back to Earth; long-term storage; curatorial processing; and allocation/distribution. The Planetary Exploration and Astromaterials Research Lab (PEARL) seeks to understand temperature and pressure effects on returned volatile samples by working with high-fidelity volatile-containing regolith simulants, setting the foundation for the future of cold curation. This abstract is focused on gas-surface interactions between LCROSS volatiles and readily available lunar regolith simulants. Experiments involved analyzing differences in headspace gas composition for various combinations of volatile and regolith simulants using gas chromatography/mass spectrometry (GC/MS). Experimental Procedure: The volatile simulants were chosen based on the molecules detected during the LCROSS mission.1 Stock solutions of condensed lunar volatile analytes were: methanol, 7 N ammonia in methanol, and 0.4% hydrogen sulfide in water. The regolith simulants used were primarily JSC-1A and NU-LHT-4M. Additional regolith simulant control studies were conducted with <150 μm sieved sand and KBr. A nested vial sample preparation approach separated the liquid stock solutions from the regolith, eliminating potential matrix effects between liquid and solid phases. Fifteen microliter aliquots of liquid volatile simulants were added to a 2 mL liquid GC vial and capped in atmosphere. An 18G needle punctured the 2 mL GC vial immediately before being transferred and sealed in a 20 mL GC vial containing 0-0.3 g of regolith simulant, see Figure 1. Separating the analytes ensures any changes observed in the total headspace gases is a result of gas-surface and/or gas-gas interactions. Equipment and Method: Initial GC/MS method development for the separation and identification of relevant headspace gases can be found in Amick, et al. 2023.2 The only hardware change is a different column: a TG-1701MS 30 m × 0.25 mm × 1.00 μm column. The vials were sampled at 10°C, room temperature (~25°C) and 50°C. Low temperature samples were kept in a chilled autosampler stage for at least 1 hour prior to sampling. High temperature samples were agitated at 50°C for 5 minutes immediately prior to injection onto the column. Headspace chromatograms were collected for each combination of temperature, regolith, and volatile simulant, including controls without one or both types of analytes, in triplicate. The chromatogram elution window for each analyte or significant atmospheric gas was identified using the peak mass spectrum cross-referenced with Figure 1.Picture of the nested vial set-up. a NIST MS library search. Each analyte peak was integrated after filtering the mass spectrum trace for the parent or most unique mass-to-charge ratio. For example, the mass-to-charge ratio used to identify, filter for, and integrate the carbon dioxide peak was centered around 44 m/z. Results: Figure 2 shows the integrated peak area for hydrogen sulfide in all combinations of regolith simulants, temperatures, and the addition of ammonia in methanol solution. Multiple repeat experiments with H2S and regolith simulants have confirmed hydrogen sulfide is removed from the headspace within 1 hour when exposed to JSC-1A, NU-LHT-4M and sand (not pictured). The consumption of H2S by lunar regolith simulants at different temperatures indicates surface chemistry will be an integral component in sample integrity and preservation. It is important to note that while the effect of surface chemistry on gaseous hydrogen sulfide is intriguing, further investigation into more chemically accurate regolith simulants is necessary and ongoing. The sulfur in hydrogen sulfide is in its most reduced state while off-the-shelf, terrestrially sourced JSC-1A and NU-LHT-4M are more oxidized than most lunar materials,3which likely leads to different oxidation-reduction reactions than would be expected in lunar regolith. Figure 3 shows the integrated peak area of carbon dioxide for each sample combination that contained ammonia in methanol solution. The addition of ammonia to the GC vials results in a consistent and reproducible decrease in carbon dioxide gas, even at 50°C. The effect became more pronounced when JSC-1A or NU-LHT-4M were present. This set of experiments demonstrated that the sample composition will affect the chemical and physical state of each component present. Future spectroscopic and microscopy experiments will be geared towards identifying the cause for the CO2(g) concentration decrease and the consumption of hydrogen sulfide. As cold and volatile curation scientists, this information provides necessary insight on how to appropriately handle and analyze volatile bearing returned samples, as well as predict the effect chemical composition has on the various sample phases we will analyze upon return to Earth. Unlike traditional curation of geologic materials, the molecules in a sample cannot be identified or processed using the naked eye or even an optical microscope. Volatile curation will require a combination of analytical techniques, including but not limited to highly sensitive gas and solid/condensed phase spectroscopy. This set of experiments has demonstrated the need for more detailed studies of volatile mixtures with mineralogically and geochemically analogous lunar regolith simulants to prepare for the curation of volatile-rich lunar samples from the south polar region of the Moon. References: [1] Colaprete, A., et al. (2010) Science, 330, (463-468). [2] Amick, C. L., et al.(2023) Houston, Texas, [3] Heiken, G. H., et al.(1991) (778-778)

Cecilia L Amick↗

Privacy-Preserving Robust Consensus for Distributed Microgrid Control Applications

Consensus-based distributed control has been proposed for coordinating distributed energy resources (DERs) in microgrids (MGs). As one key component, distributed average observers are used to estimate the average of a group of reference signals (e.g., voltage, current, or power). State-of-the-art distributed average observers could lead to loss of privacy due to information exchange on the communication channels. The DERs' reference signals, which contain private information, could be inferred by an eavesdropper. In this article, a privacy-preserving distributed average observer is proposed that is based on robust consensus and uses the state decomposition method to preserve privacy. Compared to the existing methods, the proposed observer does not require the knowledge of the reference signal's derivative and gives accurate and smooth estimation, and is thus applicable for MG distributed control applications. A detailed analysis regarding the convergence and privacy properties of the proposed observer is presented. Here, the proposed observer is implemented on hardware controllers and validated in the context of distributed MG control applications through hardware-in-the-loop (HIL) tests.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Analysis of the weighted shifted boundary method for the Poisson and Stokes problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. Accuracy is maintained by properly shifting the location and values of the boundary conditions. This avoids integration over cut cells and the associated implementation issues. Recently, the Weighted SBM (WSBM) was proposed for the Navier-Stokes equations with free surfaces and the Stokes flow with moving boundaries. The attribute “weighted” in the name WSBM stems from the fact that its variational form is weighted with the elemental volume fraction of active fluid. The motivation for the development of the WSBM was the preservation of the volume of active fluid to a higher degree of accuracy, which in turn resulted in improved stability and robustness characteristics in moving-boundary, time-dependent simulations. In this article, we present the numerical analysis of the WSBM formulations for the Poisson and Stokes problems. We give mathematical conditions under which the bilinear forms defining the discrete variational formulations are uniformly coercive (Poisson problem) or inf-sup stable (Stokes problem). By these results, stability and optimal convergence is proven in the natural norm; L2-error estimates can also be derived.

Approximate domain boundaries↗

Calibration and Sequence Development Status for the Sample Analysis at Mars Investigation on the Mars Science Laboratory

The measurement goals of the Sample Analysis at Mars (SAM) instrument suite on the "Curiosity" Rover of the Mars Science Laboratory (MSL) include chemical and isotopic analysis of organic and inorganic volatiles for both atmospheric and solid samples [1,2]. SAM directly supports the ambitious goals of the MSL mission to provide a quantitative assessment of habitability and preservation in Gale crater by means of a range of chemical and geological measurements [3]. The SAM FM combined calibration and environmental testing took place primarily in 2010 with a limited set of tests implemented after integration into the rover in January 2011. The scope of SAM FM testing was limited both to preserve SAM consumables such as life time of its electromechanical elements and to minimize the level of terrestrial contamination in the SAM instrument. A more comprehensive calibration of a SAM-like suite of instruments will be implemented in 2012 with calibration runs planned for the SAM testbed. The SAM Testbed is nearly identical to the SAM FM and operates in a ambient pressure chamber. The SAM Instrument Suite: SAM's instruments are a Quadrupole Mass Spectrometer (QMS), a 6-column Gas Chromatograph (GC), and a 2-channel Tunable Laser Spectrometer (TLS). Gas Chromatography Mass Spectrometry is designed for identification of even trace organic compounds. The TLS [5] secures the C, H, and O isotopic composition in carbon dioxide, water, and methane. Sieved materials are delivered from the MSL sample acquisition and processing system to one of68 cups of the Sample Manipulation System (SMS). 59 of these cups are fabricated from inert quartz. After sample delivery, a cup is inserted into one of 2 ovens for evolved gas analysis (EGA ambient to >9500C) by the QMS and TLS. A portion of the gas released can be trapped and subsequently analyzed by GCMS. Nine sealed cups contain liquid solvents and chemical derivatization or thermochemolysis agents to extract and transform polar molecules such as amino acids, nucleobases, and carboxylic acids into compounds that are sufficiently volatile to transmit through the GC columns. The remaining 6 cups contain calibrants. SAM FM Calibration Overview: The SAM FM calibration in the Mars chamber employed a variety of pure gases, gas mixtures, and solid materials. Isotope calibration runs for the TLS utilized 13C enriched C02 standards and 0 enriched CH4. A variety of fluorocarbon compounds that spanned the entire mass range of the QMS as well as C3-C6 hydrocarbons were utilized for calibration of the GCMS. Solid samples consisting of a mixture of calcite, melanterite, and inert silica glass either doped or not with fluorocarbons were introduced into the SAM FM cups through the SAM inlet funnel/tube system.

Mahaffy, Paul R.↗

Flash healing of laser-induced graphene

The advancement of laser-induced graphene (LIG) technology has streamlined the fabrications of flexible graphene devices. However, the ultrafast kinetics triggered by laser irradiation generates intrinsic amorphous characteristics, leading to high resistivity and compromised performance in electronic devices. Healing graphene defects in specific patterns is technologically challenging by conventional methods. Herein, we report the rapid rectification of LIG’s topological defects by flash Joule heating in milliseconds (referred to as F-LIG), whilst preserving its overall structure and porosity. The F-LIG exhibits a decreased I D /I G ratio from 0.84 – 0.33 and increased crystalline domain from Raman analysis, coupled with a 5-fold surge in conductivity. Pair distribution function and atomic-resolution imaging delineate a broader-range order of F-LIG with a shorter C-C bond of 1.425 Å. The improved crystallinity and conductivity of F-LIG with excellent flexibility enables its utilization in high-performance soft electronics and low-voltage disinfections. Notably, our F-LIG/polydimethylsiloxane strain sensor exhibits a gauge factor of 129.3 within 10% strain, which outperforms pristine LIG by 800%, showcasing significant potential for human-machine interfaces.

36 MATERIALS SCIENCE↗

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗

Data reduction through optimized scalar quantization for more compact neural networks

Raw data generation for several existing and planned large physics experiments now exceeds TB/s rates, generating untenable data sets in very little time. Those data often demonstrate high dimensionality while containing limited information. Meanwhile, Machine Learning algorithms are now becoming an essential part of data processing and data analysis. Those algorithms can be used offline for post processing and post data analysis, or they can be used online for real time processing providing ultra low latency experiment monitoring. Both use cases would benefit from data throughput reduction while preserving relevant information: one by reducing the offline storage requirements by several orders of magnitude and the other by allowing ultra fast online inferencing with low complexity Machine Learning models. Moreover, reducing the data source throughput also reduces material cost, power and data management requirements. In this work we demonstrate optimized nonuniform scalar quantization for data source reduction. This data reduction allows lower dimensional representations while preserving the relevant information of the data, thus enabling high accuracy Tiny Machine Learning classifier models for online fast inferences. We demonstrate this approach with an initial proof of concept targeting the CookieBox, an array of electron spectrometers used for angular streaking, that was developed for LCLS-II as an online beam diagnostic tool. We used the Lloyd-Max algorithm with the CookieBox dataset to design an optimized nonuniform scalar quantizer. Optimized quantization lets us reduce input data volume by 69% with no significant impact on inference accuracy. When we tolerate a 2% loss on inference accuracy, we achieved 81% of input data reduction. Finally, the change from a 7-bit to a 3-bit input data quantization reduces our neural network size by 38%.

97 MATHEMATICS AND COMPUTING↗