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At least 883 records · Page 49

Bioinformatics resource manager v2.3: an integrated software environment for systems biology with microRNA and cross-species analysis tools

Background: MicroRNAs (miRNAs) are noncoding RNAs that direct post-transcriptional regulation of protein coding genes. Recent studies have shown miRNAs are important for controlling many biological processes, including nervous system development, and are highly conserved across species. Given their importance, computational tools are necessary for analysis, interpretation and integration of high-throughput (HTP) miRNA data in an increasing number of model species. The Bioinformatics Resource Manager (BRM) v2.3 is a software environment for data management, mining, integration and functional annotation of HTP biological data. In this study, we report recent updates to BRM for miRNA data analysis and cross-species comparisons across datasets. Results: BRM v2.3 has the capability to query predicted miRNA targets from multiple databases, retrieve potential regulatory miRNAs for known genes, integrate experimentally derived miRNA and mRNA datasets, perform ortholog mapping across species, and retrieve annotation and cross-reference identifiers for an expanded number of species. Here we use BRM to show that developmental exposure of zebrafish to 30 uM nicotine from 6–48 hours post fertilization (hpf) results in behavioral hyperactivity in larval zebrafish and alteration of putative miRNA gene targets in whole embryos at developmental stages that encompass early neurogenesis. We show typical workflows for using BRM to integrate experimental zebrafish miRNA and mRNA microarray datasets with example retrievals for zebrafish, including pathway annotation and mapping to human ortholog. Functional analysis of differentially regulated (p<0.05) gene targets in BRM indicates that nicotine exposure disrupts genes involved in neurogenesis, possibly through misregulation of nicotine-sensitive miRNAs. Conclusions: BRM provides the ability to mine complex data for identification of candidate miRNAs or pathways that drive phenotypic outcome and, therefore, is a useful hypothesis generation tool for systems biology. The miRNA workflow in BRM allows for efficient processing of multiple miRNA and mRNA datasets in a single software environment with the added capability to interact with public data sources and visual analytic tools for HTP data analysis at a systems level. BRM is developed using Java™ and other open-source technologies for free distribution (http://www.sysbio.org/dataresources/brm.stm).

59 BASIC BIOLOGICAL SCIENCES↗

Improving Energy Efficiency of Air Separation via Hollow Fiber Sorbents

This report summarizes the work performed under the Department of Energy’s National Energy Technology Laboratory (DOE-NETL) Advanced Energy Systems Program award number DE-FE0026163 Improving Energy Efficiency of Air Separation via Hollow Fiber Sorbents. The overall objective of the project was to develop technology to produce oxygen for use in coal gasification processes at a significantly lower cost than that of the commercial state-of-the-art technology. The focus of the project was development and optimization of hollow fiber sorbents for use in a pressure swing adsorption (PSA) process for producing oxygen from air. The key technical advancement under this program was the development of a hollow fiber sorbent capable of producing oxygen in a PSA process. PSAs produce oxygen by using a beaded zeolite material (typically lithium exchanged zeolites or LiX) that selectively adsorb nitrogen over oxygen. For a fiber to adsorb nitrogen, LiX needed to be integrated into a polymer fiber and then activated at over 350C to remove residual moisture. After screening multiple materials and process techniques, Matrimid/LiX hollow fibers were produced that were able to withstand the activation and had crystalline nitrogen capacity close to pure LiX crystals. The fibers were dual layer fibers with a barrier layer isolating the hollow bore from the LiX embedded layer. The barrier layer was formed from an Ultem® based solution. The hollow bore was intended for encapsulating phase change materials to ensure isothermal PSA operation. Modeling work from the project suggested that the benefits of this additional complexity were marginal, thus the team fabricated non-hollow fibers comprised of Matrimid and LiX. The Matrimid/LiX fibers were loaded into a module and tested on a bench scale PSA unit. The fibers were able to separate oxygen from air, but the purity and recovery were lower than expected and lower than traditional beaded LiX zeolites, although modeling results suggested that the bed sizes for fiber sorbents could be half the size of a beaded LiX bed. Additional work will be needed to understand the shortfall and to produce fiber sorbent modules with performance equal to the targets set for this program. In addition to producing fibers, modeling work was carried out at both the fiber level and process level to guide both fiber sorbent development and to determine the optimal process conditions for a PSA using fiber sorbents. A 2D hollow fiber model was developed in gPROMS Model Builder. This model was based on literature data for mass transfer and other parameters. This model used a basic single bed PSA process to determine important fiber properties and process conditions for achieving high oxygen recovery. The preliminary 2D fiber model was a valuable tool, however, for step-out technologies, such as a PSA process with fiber sorbents, intelligent optimization and plant control was needed to effectively determine minimum power designs. Therefore, a gPROMS Process Builder-based optimization tool was developed with an “Automated Cycle Optimizer” model that was able to determine optimal cycle conditions for a fiber sorbent PSA. The results from the optimizer were used in the final power analysis. Flow sheet analysis and techno-economic analysis (TEA) was carried out to determine a lower power solution versus the baseline case. The original project scope suggested that the fiber sorbent PSA could be used to debottleneck a cryogenic air separation plant (cryo-ASU) with the combined plant having lower power than a standalone cryo-ASU. However, early flowsheet analysis showed that the PSA/cryo-ASU concept would not lead to a lower power solution. However, further flowsheet analysis suggested that an oxygen PSA combined with a nitrogen PSA could have lower power versus state-of-the-art air separation technology. Work concluded with the TEA showing a fiber sorbent oxygen PSA combined with an advanced nitrogen PSA could be up to 8% lower power versus the base case cryo-ASU. Overall, there is significant potential remaining for the zeolite hollow fiber sorbent concept, and this project successfully identified -- and ultimately remedied -- many technical challenges associated with scale-up.

01 COAL, LIGNITE, AND PEAT↗

A New Approach to Indoor Characterization of PV Module Energy Yield Parameters

Temperature and solar irradiance are among the most relevant parameters that affect the energy yield of photovoltaic cells and modules. A rise in the module temperature leads to a significant decrease in the open circuit voltage and a small increase in the short circuit current. Here we use a new tool to determine temperature coefficients as well as to assess power rating of multi c-Si, mono c-Si, CdTe, and CIGS-based PV modules in controlled indoor conditions per IEC 60891 and IEC 61853-1. We use the tool to explore how nonuniformities in module temperature affect the accuracy of the temperature coefficients.

14 SOLAR ENERGY↗

Polaron and Spin Dynamics in Organic–Inorganic Lead Halide Perovskite Nanocrystals

Long-lived carrier population and spin-based behavior in lead halide perovskite nanocrystals (NCs) are very interesting for implementing photovoltaic devices with efficiencies exceeding the Shockley–Queisser limit and quantum information processing, respectively. However, a comprehensive understanding of polaron-mediated charge carrier interactions and an accurate description of the spin-polarized states for spintronics are still lacking. Herein, the carrier and spin interactions are studied under controlled conditions in FAPbI 3 and Cs 0.01 FA 0.99 Pb(Br 0.11 I 0.89 ) 3 NCs through ultrafast transient absorption (TA) spectroscopy. At early timescales, TA spectrum shows an asymmetric derivative feature originating from the hot carrier-induced spectral redshift in FAPbI 3 NCs (55 ± 3 meV) and Cs0.01FA0.99Pb(Br0.11I0.89)3 NCs (54 ± 2 meV) at the bandedges that stabilizes to 9 ± 1 and 11 ± 2 meV, respectively, at 1 ps due to the polaron formation. The kinetic analysis indicates that the polaron populations in FAPbI3 and Cs 0.01 FA 0.99 Pb(Br 0.11 I 0.89 ) 3 NCs decay with an average lifetime of 657 ± 34 and 532 ± 28 ps, respectively. The circular polarization-resolved TA reveals that polaron formation can control spin relaxation in NCs, thus providing a powerful tool to explore the development of their prospective applications in spintronics.

36 MATERIALS SCIENCE↗

Studies of transverse momentum dependent parton distributions and Bessel weighting

In this paper we present a new technique for analysis of transverse momentum dependent parton distribution functions, based on the Bessel weighting formalism. The procedure is applied to studies of the double longitudinal spin asymmetry in semi-inclusive deep inelastic scattering using a new dedicated Monte Carlo generator which includes quark intrinsic transverse momentum within the generalized parton model. Using a fully differential cross section for the process, the effect of four momentum conservation is analyzed using various input models for transverse momentum distributions and fragmentation functions. We observe a few percent systematic offset of the Bessel-weighted asymmetry obtained from Monte Carlo extraction compared to input model calculations, which is due to the limitations imposed by the energy and momentum conservation at the given energy/Q 2 . We find that the Bessel weighting technique provides a powerful and reliable tool to study the Fourier transform of TMDs with controlled systematics due to experimental acceptances and resolutions with different TMD model inputs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Terahertz-polarizing effect based on geometric anisotropy of Ti 3 C 2 T x MXene nanosheets

Two-dimensional (2D) nanomaterials have garnered considerable attention due to their unique properties, such as thinness and excellent electronic properties. The inherent anisotropy of 2D nanomaterials, which is characterized by their high aspect ratio, can maximize the directional functionality to enhance the conductivity and utilization of edges. Here, we demonstrate how to utilize the edges of titanium carbide (Ti 3 C 2 T x ) MXene nanosheet to control the linear polarization in the terahertz (THz) frequency range. By a simple and unique vertical alignment exploiting the high surface charge and excellent colloidal dispersibility of MXene nanosheets, MXene nanosheets are vertically oriented along an applied AC electric field. The well-aligned edges justify the THz polarizing effect, revealing outstanding performances such as the broadband coverage in 0.2–1.5 THz and an exceptional extinction ratio reaching 20 dB. Furthermore, we vary the local orientation of the vertical MXene nanosheets by tailoring the applied electric field, enabling spatially controllable polarization capabilities. Our results can provide a generic tool for the utilization of 2D nanomaterials in diverse potential applications in optics and electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids

Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introduce a high-throughput workflow that implements a practical colorimetric conformational assay, introduces a semi-automated sequencing protocol using matrix-assisted laser desorption/ionization and tandem mass spectrometry (MALDI-MS/MS), and develops a generalizable sequence-structure algorithm. Using a model system of 20mer peptidomimetics containing polar glycine and hydrophobic N-butylglycine residues, we identified nine classifications of conformational disorder and isolated 122 unique sequences across varied compositions and conformations. Conformational distributions of three compositionally identical library sequences were corroborated through atomistic simulations and ion mobility spectrometry coupled with liquid chromatography. A data-driven strategy was developed using existing sequence variables and data-derived “motifs” to inform a machine-learning algorithm toward conformation prediction. Here, this multifaceted approach enhances our understanding of sequence-conformation relationships and offers a powerful tool for accelerating the discovery of materials with conformational control.

data-driven analysis↗

From observation to replication: machine-learning-driven quantification and replication of fine-scale fish kinematics and behavior

Long-term quantification of fish behavior is essential for aquatic ecology, wildlife telemetry, and biomechanical device development. However, the observation duration required to obtain reliable behavioral and kinematic metrics remains unclear, and few tools exist to physically reproduce natural swimming motion for controlled experimentation. We address these challenges by developing a generalizable framework that models behavioral reliability (Spearman–Brown reliability index) as a function of observation duration and derives metric-specific monitoring thresholds. Using juvenile white sturgeon (Acipenser transmontanus) as a case study, we demonstrate that the minimum duration needed for reliable estimates varies substantially across kinematic features: to exceed a reliability of 0.8, total distance traveled requires 12 days, average curvature (mm?¹) 15 days, tail-beat frequency (Hz) 8 days, and average speed (body length/s) 17 days. We further bridge digital analysis and physical testing by developing a hardware-in-the-loop simulator that reconstructs machine-learning-derived swimming kinematics with high fidelity (correlation coefficient 0.98–0.99, RMSE 1.22–1.27 mm over a 5-minute segment). This platform enables realistic, repeatable motion stimuli for evaluating aquatic sensing technologies and bio-integrated devices under controlled conditions. Together, these contributions provide a scalable approach for designing long-term behavioral studies and a data-driven connection between ecological observation and robotic experimentation.

Hwang, SungJoo↗

A real-time probabilistic channel flood-forecasting model based on the Bayesian particle filter approach

Reliable real-time probabilistic flood forecasting is critical for effective water management and flood protection all over the world. In this study, we develop a real-time probabilistic channel flood-forecasting model by combining a channel hydraulic model with the Bayesian particle filter approach. The new model is tested in the upstream river reach of Three Gorges Dam (TGD) on the Yangtze River, China. Stage observations at seven hydrological stations are used simultaneously to adjust the Manning's roughness coefficients and to update discharges and stages along the river reach to attain reliable probabilistic flood forecasting. The synthetic experiments are applied to demonstrate the new model's correction and forecasting performances. The real-world experiments show that the new model can make accurate flood forecasting as well as derive reliable intervals for different confidence levels. The new probabilistic flood forecasting model not only outperforms the existing deterministic channel flood-forecasting models in accuracy, but also provides a more robust tool with which to incorporate uncertainty into flood-control efforts.

54 ENVIRONMENTAL SCIENCES↗

Directing Nanoparticle Organization in Response to Diverse Chemical Inputs

Signaling cascades are crucial for transducing stimuli in biological systems, enabling multiple stimuli to regulate a downstream target with precisely controlled timing and amplifying signals through a series of intermediary reactions. Developing a robust signaling system with such capabilities would be pivotal for programming complex behaviors in synthetic DNA-based molecular devices. However, although “software” such as nucleic acid circuits could potentially be harnessed to relay signals to DNA-based nanostructure hardware, such explorations have been limited. Here, in this study, we develop a platform for transducing a variety of stimuli via messenger-mediated reactions to regulate the release and reloading of gold nanoparticles (AuNPs) in a 3D DNA framework. In the first step, an in vitro transcription circuit is engineered to sense and amplify chemical stimuli, including arbitrary DNA sequences and proteins, producing RNA. In the second step, the RNA releases the DNA-coated AuNPs from the DNA framework via a strand displacement reaction. AuNP reloading is controlled by a separate step driven by degradation of the RNA. Our platform holds promise for applications requiring dynamic multiagent control over DNA-based devices, offering a versatile tool for advanced molecular device engineering.

36 MATERIALS SCIENCE↗

Large surface conductance and superconductivity in topological insulator microstructures

Controllable geometric manipulation via micromachining techniques provides a promising tool for enhancing useful topological electrical responses relevant to future applications such as quantum information science [P. J. W. Moll, “Focused ion beam microstructuring of quantum matter,” Annu. Rev. Condens. Matter Phys. 9, 147 (2018); Jang et al., “Observation of half-height magnetization steps in Sr 2 RuO 4 ,” Science 331, 186 (2011); Moll et al., “Transport evidence for Fermi-arc-mediated chirality transfer in the Dirac semimetal Cd 3 As 2 ,” Nature 535, 266 (2016); Moll et al., “Evidence for hydrodynamic electron flow in PdCoO 2 ,” Science 351, 1061 (2016)]. Here, we present microdevices fabricated with a focused ion beam from an indium-doped topological insulator Pb 1–x Sn x Te. Furthermore, with the device thickness on the order of 1 μm and an extremely large bulk resistivity, we achieve an unprecedented enhancement of the surface contribution to about 30% of the total conductance near room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Laser ablation tomography for visualization of root colonization by edaphic organisms

Soil biota have important effects on crop productivity, but can be difficult to study in situ . Laser ablation tomography (LAT) is a novel method that allows for rapid, three-dimensional quantitative and qualitative analysis of root anatomy, providing new opportunities to investigate interactions between roots and edaphic organisms. LAT was used for analysis of maize roots colonized by arbuscular mycorrhizal fungi, maize roots herbivorized by western corn rootworm, barley roots parasitized by cereal cyst nematode, and common bean roots damaged by Fusarium . UV excitation of root tissues affected by edaphic organisms resulted in differential autofluorescence emission, facilitating the classification of tissues and anatomical features. Samples were spatially resolved in three dimensions, enabling quantification of the volume and distribution of fungal colonization, western corn rootworm damage, nematode feeding sites, tissue compromised by Fusarium , and as well as root anatomical phenotypes. Owing to its capability for high-throughput sample imaging, LAT serves as an excellent tool to conduct large, quantitative screens to characterize genetic control of root anatomy and interactions with edaphic organisms. Additionally, this technology improves interpretation of root–organism interactions in relatively large, opaque root segments, providing opportunities for novel research investigating the effects of root anatomical phenes on associations with edaphic organisms.

60 APPLIED LIFE SCIENCES↗

A Graphical Design Approach for Two-Input Single-Output Systems Exploiting Plant/Controller Alignment: Design and Application

Due to the unique structure of two-input single-output (TISO) feedback systems, several closed-loop properties can be characterized using the concepts of plant and controller “directions” and “alignment.” Poor plant/controller alignment indicates significant limitations in terms of closed-loop performance. In general, it is desirable to design a controller that is well aligned with the plant in order to minimize the size of the closed-loop sensitivity functions and closed-loop interactions. Although the concept of alignment can be a useful analysis tool for a given plant/controller pair, it is not obvious how a controller should be designed to achieve good alignment. We present a new controller design approach, based on the PQ method (Schroeck et al., 2001, “On Compensator Design for Linear Time invariant Dual-Input Single-Output Systems,” IEEE/ASME Trans. Mechatronics, 6(1), pp. 50–57), which explicitly incorporates knowledge of alignment into the design process. Here, this is accomplished by providing graphical information about the alignment angle on the Bode plot of the PQ frequency response. We show the utility of this approach through a design example.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SU-E-T-563: Multi-Fraction Stereotactic Radiosurgery with Extend System of Gamma Knife: Treatment Verification Using Indigenously Designed Patient Simulating Multipurpose Phantom

Purpose: Aim of the study is to evaluate mechanical and radiological accuracy of multi-fraction regimen and validate Gamma knife based fractionation using newly developed patient simulating multipurpose phantom. Methods: A patient simulating phantom was designed to verify fractionated treatments with extend system (ES) of Gamma Knife however it could be used to validate other radiotherapy procedures as well. The phantom has options to insert various density material plugs and mini CT/MR distortion phantoms to analyze the quality of stereotactic imaging. An additional thorax part designed to predict surface doses at various organ sites. The phantom was positioned using vacuum head cushion and patient control unit for imaging and treatment. The repositioning check tool (RCT) was used to predict phantom positioning under ES assembly. The phantom with special inserts for film in axial, coronal and sagittal plane were scanned with X-Ray CT and the acquired images were transferred to treatment planning system (LGP 10.1). The focal precession test was performed with 4mm collimator and an experimental plan of four 16mm collimator shots was prepared for treatment verification of multi-fraction regimen. The prescription dose of 5Gy per fraction was delivered in four fractions. Each fraction was analyzed using EBT3 films scanned with EPSON 10000XL Scanner. Results: The measurement of 38 RCT points showed an overall positional accuracy of 0.28mm. The mean deviation of 0.28% and 0.31 % were calculated as CT and MR image distortion respectively. The radiological focus accuracy test showed its deviation from mechanical center point of 0.22mm. The profile measurement showed close agreement between TPS planned and film measured dose. At tolerance criteria of 1%/1mm gamma index analysis showed a pass rate of > 95%. Conclusion: Our results show that the newly developed multipurpose patient simulating phantom is highly suitable for the verification of fractionated stereotactic radiosurgery using ES of Gamma knife. The study is a part of intramural research project of Research Section, All India Institute of Medical Sciences New Delhi India (A 247)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Automating electrochemical analyses combined with artificial intelligence is poised to accelerate discoveries in renewable energy sciences and technologies. This study presents an automated high-throughput electrochemical characterization (AHTech) platform as a cost-effective and versatile tool for rapidly assessing liquid analytes. The Python-controlled platform combines a liquid handling robot, potentiostat, and customizable microelectrode bundles for diverse, reproducible electrochemical measurements in microtiter plates, minimizing chemical consumption and manual effort. To showcase the capability of AHTech, we screened a library of 180 small molecules as electrolyte additives for aqueous zinc metal batteries, generating data for training machine learning models to predict Coulombic efficiencies. Key molecular features governing additive performance were elucidated using Shapley Additive exPlanations and Spearman’s correlation, pinpointing high-performance candidates like cis-4-hydroxy-d-proline, which achieved an average Coulombic efficiency of 99.52% over 200 cycles. The workflow established herein is highly adaptable, offering a powerful framework for accelerating the exploration and optimization of extensive chemical spaces across diverse energy storage and conversion fields.

Lin, Dian-Zhao [Johns Hopkins University, Baltimor↗

USPAS Digital Low-Level RF firmware and software suite (uspas_llrf) v1.0

The USPAS Digital Low-Level RF firmware and software suite was originally developed for the USPAS 2023 LLRF course, for demonstrating the close loop RF control on the BerkeleyLab Marble FPGA carrier and Zest digitizer platform in controlling the RF field for various accelerators. The suite features Register-transfer level (RTL) designs for the board-support layer, digital signal processing and verification test benches, system-on-chip architecture, and Experimental Physics and Industrial Control System (EPICS) support, utilizing a open-source tool chain.

Du, Qiang↗

TULIP: An RNA-seq-based Primary Tumor Type Prediction Tool Using Convolutional Neural Networks

Background: With cancer as one of the leading causes of death worldwide, accurate primary tumor type prediction is critical in identifying genetic factors that can inhibit or slow tumor progression. There have been efforts to categorize primary tumor types with gene expression data using machine learning, and more recently with deep learning, in the last several years. Methods In this paper, we developed four 1-dimensional (1D) Convolutional Neural Network (CNN) models to classify RNA-seq count data as one of 17 highly represented primary tumor types or 32 primary tumor types regardless of imbalanced representation. Additionally, we adapted the models to take as input either all Ensembl genes (60,483) or protein coding genes only (19,758). Unlike previous work, we avoided selection bias by not filtering genes based on expression values. RNA-seq count data expressed as FPKM-UQ of 9,025 and 10,940 samples from The Cancer Genome Atlas (TCGA) were downloaded from the Genomic Data Commons (GDC) corresponding to 17 and 32 primary tumor types respectively for training and validating the models. Results: All 4 1D-CNN models had an overall accuracy of 94.7% to 97.6% on the test dataset. Further evaluation indicates that the models with protein coding genes only as features performed with better accuracy compared to the models with all Ensembl genes for both 17 and 32 primary tumor types. For all models, the accuracy by primary tumor type was above 80% for most primary tumor types. Conclusions: We packaged all 4 models as a Python-based deep learning classification tool called TULIP (TUmor CLassIfication Predictor) for performing quality control on primary tumor samples and characterizing cancer samples of unknown tumor type. Further optimization of the models is needed to improve the accuracy of certain primary tumor types.

Jones, Sara↗

In situ/operando soft x-ray spectroscopy of chemical interfaces in gas and liquid environments

Many energy storage and energy conversion systems are based on the complexity of material architecture, chemistry, and interfacial interactions. To understand and thus ultimately control the energy applications calls for in situ/operando characterization tools. Over the years, in situ/operando soft x-ray spectroscopy has been developed for the studies of gas molecules, molecular liquids, catalytic, and electrochemical reactions. Soft x-ray spectroscopy offers electronic structure characterization of materials in energy conversion, energy storage, and catalysis regarding functionality, complexity of material architecture, and chemical interactions. It has been shown how to use the powerful in situ/operando soft x-ray spectroscopy characterization techniques of interfacial phenomena and how to reveal the mechanism of charge transfer and chemical transformation of solid/gas and solid/liquid interfaces of energy storage and catalytic materials in a realistic environment. It has been demonstrated how to overcome the challenge that soft x-rays cannot easily peek into the high-pressure catalytic or liquid electrochemical reactions. Finally, the unique design of in situ/operando soft x-ray spectroscopy instrumentation and fabrication principle and examples of experiments are presented.

36 MATERIALS SCIENCE↗