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At least 217 records · Page 12

Spatiotemporal features of traffic help reduce automatic accident detection time

Quick and reliable automatic detection of traffic accidents is of paramount importance to save human lives in transportation systems. However, automatically detecting when accidents occur has proven challenging, and minimizing the time to detect accidents (TTDA) by using traditional features in machine learning (ML) classifiers has plateaued. We hypothesize that accidents affect traffic farther from the accident location than previously reported. Therefore, leveraging traffic signatures from neighboring sensors that are adjacent to accidents should help improve their detection. We confirm this hypothesis by using verified ground-truth accident data, traffic data from radar detection system sensors, and light and weather conditions and show that we can minimize the TTDA while maximizing classification performance by considering spatiotemporal features of traffic. Specifically, we compare the performance of different ML classifiers (i.e, logistic regression, random forest, and XGBoost) when controlling for different numbers of neighboring sensors and TTDA horizons. We use data from interstates 75 and 24 in the metropolitan area that surrounds Chattanooga, TN. Our results show that the XGBoost classifier produces the best results by detecting accidents as quickly as 1.0 min after their occurrence with an area under the receiver operating characteristic curve of up to 83% and an average precision of up to 49%. We describe limitations, open challenges, and how the proposed framework can be used for quicker operational accident detection.

33 ADVANCED PROPULSION SYSTEMS↗

Quantifying wildfire drivers and predictability in boreal peatlands using a two-step error-correcting machine learning framework in TeFire v1.0

Abstract. Wildfires are becoming an increasing challenge to the sustainability of boreal peatland (BP) ecosystems and can alter the stability of boreal carbon storage. However, predicting the occurrence of rare and extreme BP fires proves to be challenging, and gaining a quantitative understanding of the factors, both natural and anthropogenic, inducing BP fires remains elusive. Here, we quantified the predictability of BP fires and their primary controlling factors from 1997 to 2015 using a two-step correcting machine learning (ML) framework that combines multiple ML classifiers, regression models, and an error-correcting technique. We found that (1) the adopted oversampling algorithm effectively addressed the unbalanced data and improved the recall rate by 26.88 %–48.62 % when using multiple datasets, and the error-correcting technique tackled the overestimation of fire sizes during fire seasons; (2) nonparametric models outperformed parametric models in predicting fire occurrences, and the random forest machine learning model performed the best, with the area under the receiver operating characteristic curve ranging from 0.83 to 0.93 across multiple fire datasets; and (3) four sets of factor-control simulations consistently indicated the dominant role of temperature, air dryness, and climate extreme (i.e., frost) for boreal peatland fires, overriding the effects of precipitation, wind speed, and human activities. Our findings demonstrate the efficiency and accuracy of ML techniques in predicting rare and extreme fire events and disentangle the primary factors determining BP fires, which are critical for predicting future fire risks under climate change.

54 ENVIRONMENTAL SCIENCES↗

Toward Revealing Microcystin Distribution in Mouse Liver Tissue Using MALDI-MS Imaging

Cyanotoxins can be found in water and air during cyanobacterial harmful algal blooms (cHABs) in lakes and rivers. Therefore, it is very important to monitor their potential uptake by animals and humans as well as their health effects and distribution in affected organs. Herein, the distribution of hepatotoxic peptide microcystin-LR (MC-LR) is investigated in liver tissues of mice gavaged with this most common MC congener. Preliminary matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) imaging experiments performed using a non-automated MALDI matrix deposition device and a MALDI-time-of-flight (TOF) mass spectrometer yielded ambiguous results in terms of MC-LR distribution in liver samples obtained from MC-LR-gavaged mice. The tissue preparation for MALDI-MS imaging was improved by using an automated sprayer for matrix deposition, and liver sections were imaged using an Nd:YAG MALDI laser coupled to a 15 Tesla Fourier-transform ion cyclotron resonance (FT-ICR)-mass spectrometer. MALDI-FT-ICR-MS imaging provided unambiguous detection of protonated MC-LR (calculated m/z 995.5560, z = +1) and the sodium adduct of MC-LR (m/z 1017.5380, z = +1) in liver sections from gavaged mice with great mass accuracy and ultra-high mass resolution. Since both covalently bound and free MC-LR can be found in liver of mice exposed to this toxin, the present results indicate that the distribution of free microcystins in tissue sections from affected organs, such as liver, can be monitored with high-resolution MALDI-MS imaging.

59 BASIC BIOLOGICAL SCIENCES↗

De novo design and Rosetta-based assessment of high-affinity antibody variable regions (Fv) against the SARS-CoV -2 spike receptor binding domain ( RBD )

The continued emergence of new SARS-CoV-2 variants has accentuated the growing need for fast and reliable methods for the design of potentially neutralizing antibodies (Abs) to counter immune evasion by the virus. Here, we report on the de novo computational design of high-affinity Ab variable regions (Fv) through the recombination of VDJ genes targeting the most solvent-exposed hACE2-binding residues of the SARS-CoV-2 spike receptor binding domain (RBD) protein using the software tool OptMAVEn-2.0. Subsequently, we carried out computational affinity maturation of the designed variable regions through amino acid substitutions for improved binding with the target epitope. Immunogenicity of designs was restricted by preferring designs that match sequences from a 9-mer library of “human Abs” based on a human string content score. We generated 106 different antibody designs and reported in detail on the top five that trade-off the greatest computational binding affinity for the RBD with human string content scores. We further describe computational evaluation of the top five designs produced by OptMAVEn-2.0 using a Rosetta-based approach. We used Rosetta SnugDock for local docking of the designs to evaluate their potential to bind the spike RBD and performed “forward folding” with DeepAb to assess their potential to fold into the designed structures. Ultimately, our results identified one designed Ab variable region, P1.D1, as a particularly promising candidate for experimental testing. This effort puts forth a computational workflow for the de novo design and evaluation of Abs that can quickly be adapted to target spike epitopes of emerging SARS-CoV-2 variants or other antigenic targets.

59 BASIC BIOLOGICAL SCIENCES↗

Activation of the CaR-CSE/H2S pathway confers cardioprotection against ischemia-reperfusion injury

Ischemia-reperfusion (I/R) injury is a multifactorial process triggered when an organ is subjected to transiently reduced blood supply. The result is a cascade of pathological complications and organ damage due to the production of reactive oxygen species following reperfusion. The present study aims to evaluate the role of activated calcium-sensing receptor (CaR)-cystathionine γ-lyase (CSE)/hydrogen sulfide (H2S) pathway in I/R injury. Firstly, an I/R rat model with CSE knockout was constructed. Transthoracic echocardiography, TTC and HE staining were performed to determine the cardiac function of rats following I/R Injury, followed by TUNEL staining observation on apoptosis. Besides, with the attempt to better elucidate how CaR-CSE/H2S affects I/R, in-vitro culture of human coronary artery endothelial cells (HCAECs) was conducted with gadolinium chloride (GdCl3, a CaR agonist), H{sub 2}O{sub 2}, siRNA against CSE (siCSE), or W7 (a CaM inhibitor). The interaction between CSE and CaM was subsequently detected. Plasma oxidative stress indexes, H2S and CSE, and apoptosis-related proteins were all analyzed following cell apoptosis. We found that H2S elevation led to the improvement whereas CSE knockdown decreased cardiac function in rats with I/R injury. Moreover, oxidative stress injury in I/R rats with CSE knockout was aggravated, while the increased expression of H2S and CSE in the aortic tissues resulted in alleviated the oxidative stress injury. Moreover, increased H2S and CSE levels were found to inhibit cell apoptotic ability in the aortic tissues after I/R injury, thus attenuating oxidative stress injury, accompanied by inhibited expression of apoptosis-related proteins. In HCAECs following oxidative stress treatment, siCSE and CaM inhibitor were observed to reverse the protection of CaR agonist. Coimmunoprecipitation assay revealed the interaction between CSE and CaM. Taken together, all above-mentioned data provides evidence that activation of the CaR-CSE/H2S pathway may confer a potent protective effect in cardiac I/R injury.

60 APPLIED LIFE SCIENCES↗

Liquid Alkaline Water Electrolyzers: Comparing Performance across Design, Operation, and End-of-Life Scenarios

Liquid alkaline water electrolysis (LAWE) is a demonstrated technology for hydrogen production, yet a comprehensive life cycle assessment (LCA) of their deployment is lacking. Research leading to improvements to the core component, the electrochemical stack, along with auxiliary system materials and dynamic operation of stacks from variable electricity supply offers new data that allows for detailed modeling and evaluation. Here, we present an LCA of two facility designs based on the current state-of-the-art stack and an advanced stack with zero-gap between electrodes, and capture dynamic electricity use from solar, wind, and hybrid sources and stack recycling strategies. We present life cycle impact factors characterizing the production of 1 kg of hydrogen across 12 environmental, human health, and resource impact categories (TRACI and ReCiPe) in the contiguous United States. As expected, the source of electricity will drive impacts (e.g., 83-94% of carbon intensity); however, we find that operating using wind electricity can lower hydrogen leakage and the overall carbon intensity (1.03 kgCO 2 e/kgH 2 ) relative to solar electricity (2.57 kgCO 2 e/kgH 2 ) at matched 1:1 capacity between LAWE and the electricity source. The deployment of the advanced design and stack recycling lowers impacts across all life cycle stages. We highlight opportunities to further reduce potential impacts, including the balance of plant materials and operation cycles associated with the use of variable wind and solar electricity that result in hydrogen leakage.

08 HYDROGEN↗

Talent Acquisition in Scientific and Engineering Disciplines: A Case Study of National Laboratory (TASED) [Thesis]

Identifying the hindrances to performing effective talent acquisition within the science, technology, engineering, and mathematics field is an important topic for technical hiring managers. Top candidates have multiple options during highly competitive market conditions requiring managers to look for unique solutions which diverge from competition. Prior to this study there has been very little research considering national laboratory research and development challenges from a technical hiring manager’s talent acquisition perspective. Utilizing a unique combination of national laboratory multi-organization survey, pilot study, Human Resource (HR) tracking data and trust based business strategy to enhance partnering this research finds hiring managers can leverage out of the box techniques to improve internal processes while developing industry support to target highly qualified individuals. This methodology could be utilized by technical hiring managers across federal national laboratory enterprise to effectively capture next generation staff and leadership talent who align with their organization professionally as well as social culture.

99 GENERAL AND MISCELLANEOUS↗

FIRM image analysis: A machine learning workflow for quantifying extracellular matrix components from electron microscopy images

The extracellular matrix (ECM) is a complex network of biomolecules that plays an integral role in the structure, processes, and signaling mechanisms of cells and tissues. Identifying and quantifying changes in these matrix components provides insight into the mechanisms behind specific tissue remodeling processes; however, quantifying these changes is challenging due to difficult imaging conditions, complexity of the ECM, and the subtlety of these changes. Current imaging techniques allow us to visualize these critical remodeling events and developments in image analysis have employed a combination of analysis software and machine learning techniques to improve the efficiency and accuracy with which features are measured. Although image analysis has seen much improvement in recent years, there has been no technique developed to address ambiguity in feature edges in electron microscopy images. Presented here is a new machine learning-based workflow for the analysis of microscopy images named FIRM (Feature Identification from Raw Microscopy) that uses a random forest classifier to identify ECM features of interest and generate binary segmentation masks for quantification with ImageJ-FIJI. FIRM performed with an F1 score of 0.794 and greater than 80% accuracy for number and size of features detected. FIRM had similar deviation from the ground truth in the number of identified fibrils, fibril size, and size distributions when compared to human analyses. The results suggest that FIRM performs as well as manual analysis and requires a fraction of the time. This analysis technique is more efficient, eliminates user bias, and can be easily optimized to identify a variety of features, making it useful for any discipline requiring image analysis.

Science & Technology - Other Topics↗

Parallel high-frequency magnetic sensing with an array of flux transformers and multi-channel optically pumped magnetometer for hand MRI application

Here, we investigate an approach for parallel high-frequency magnetic sensing based on a multi-channel radio frequency (RF) optically pumped magnetometer (OPM) coupled to multiple flux transformers (FTs) with a focus on hand magnetic resonance imaging (MRI) application at ultra-low field (ULF). Multiple RF OPM sensing channels are realized by using a single large-area alkali-metal vapor cell and two laser beams for pumping and probing, shared for all the channels. This design leads to significant cost reduction when multi-channel sensing is desirable, as in the case of ULF MRI. The FT, composed of two connected coils, serves as a transmitter of a target magnetic field to the OPM, while decoupling the OPM from untargeted magnetic fields in the sensing area that can limit the OPM performance. For hand MRI application, theoretical and numerical analysis is performed to determine an optimal geometry for the FT array that could improve signal-to-noise ratio (SNR) and sufficiently reduce crosstalk between FTs. We estimate that the optimized multi-channel FT-OPM sensor can achieve a magnetic field sensitivity of the order of 1 fT / Hz 1 / 2 above 100 kHz, which would be sufficient for 1 mm resolution MRI. In general, the multi-channel capability enables simultaneous magnetic measurements, thus reducing the sensing time and improving the SNR, and we anticipate many applications of the multi-channel FT-OPM sensor beyond the targeted here hand MRI: anatomical parallel ULF MRI of the human brain and other parts of the body, airport security screening, magnetic material imaging, and many others.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development and performance of a HemeLB GPU code for human-scale blood flow simulation

In recent years, it has become increasingly common for high performance computers (HPC) to possess some level of heterogeneous architecture - typically in the form of GPU accelerators. In some machines these are isolated within a dedicated partition, whilst in others they are integral to all compute nodes - often with multiple GPUs per node - and provide the majority of a machine's compute performance. In light of this trend, it is becoming essential that codes deployed on HPC are updated to execute on accelerator hardware. Here, in this paper, we introduce a GPU implementation of the 3D blood flow simulation code HemeLB that has been developed using CUDA C++. We demonstrate how taking advantage of NVIDIA GPU hardware can achieve significant performance improvements compared to the equivalent CPU only code on which it has been built whilst retaining the excellent strong scaling characteristics that have been repeatedly demonstrated by the CPU version. With HPC positioned on the brink of the exascale era, we use HemeLB as a motivation to provide a discussion on some of the challenges that many users will face when deploying their own applications on upcoming exascale machines.

59 BASIC BIOLOGICAL SCIENCES↗

Bio-inspired strategies for next-generation perovskite solar mobile power sources

Smart electronic devices are becoming ubiquitous due to many appealing attributes including portability, long operational time, rechargeability and compatibility with the user-desired form factor. Integration of mobile power sources (MPS) based on photovoltaic technologies with smart electronics will continue to drive improved sustainability and independence. With high efficiency, low cost, flexibility and lightweight features, halide perovskite photovoltaics have become promising candidates for MPS. Realization of these photovoltaic MPS (PV-MPS) with unconventionally extraordinary attributes requires new ‘out-of-box’ designs. Natural materials have provided promising designing solutions to engineer properties under a broad range of boundary conditions, ranging from molecules, proteins, cells, tissues, apparatus to systems in animals, plants, and humans optimized through billions of years of evolution. Applying bio-inspired strategies in PV-MPS could be biomolecular modification on crystallization at the atomic/meso-scale, bio-structural duplication at the device/system level and bio-mimicking at the functional level to render efficient charge delivery, energy transport/utilization, as well as stronger resistance against environmental stimuli (e.g., self-healing and self-cleaning). In this paper, we discuss the bio-inspired/-mimetic structures, experimental models, and working principles, with the goal of revealing physics and bio-microstructures relevant for PV-MPS. Here the emphasis is on identifying the strategies and material designs towards improvement of the performance of emerging halide perovskite PVs and strategizing their bridge to future MPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Progress toward a universal biomedical data translator

Clinical, biomedical, and translational science has reached an inflection point in the breadth and diversity of available data and the potential impact of such data to improve human health and well-being. However, the data are often siloed, disorganized, and not broadly accessible due to discipline-specific differences in terminology and representation. To address these challenges, the Biomedical Data Translator Consortium has developed and tested a pilot knowledge graph-based “Translator” system capable of integrating existing biomedical data sets and “translating” those data into insights intended to augment human reasoning and accelerate translational science. Having demonstrated feasibility of the Translator system, the Translator program has since moved into development, and the Translator Consortium has made significant progress in the research, design, and implementation of an operational system. Herein, we describe the current system’s architecture, performance, and quality of results. We apply Translator to several real-world use cases developed in collaboration with subject-matter experts. Finally, we discuss the scientific and technical features of Translator and compare those features to other state-of-the-art, biomedical graph-based question-answering systems.

60 APPLIED LIFE SCIENCES↗

CrossCheck: Rapid, Reproducible, and Interpretable Model Evaluation

Evaluation beyond aggregate performance metrics, e.g. F1-score, is crucial to both establish an appropriate level of trust in machine learning models and identify future model improvements. In this paper we demonstrate CrossCheck, an interactive visualization tool for rapid crossmodel comparison and reproducible error analysis. We describe the tool and discuss design and implementation details. We then present three use cases (named entity recognition, reading comprehension, and clickbait detection) that show the benefits of using the tool for model evaluation. CrossCheck allows data scientists to make informed decisions to choose between multiple models, identify when the models are correct and for which examples, investigate whether the models are making the same mistakes as humans, evaluate models’ generalizability and highlight models’ limitations, strengths and weaknesses. Furthermore, CrossCheck is implemented as a Jupyter widget, which allows rapid and convenient integration into data scientists’ model development workflows.

Arendt, Dustin L.↗

Quantitative Risk Analysis of High Safety Significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants using IRADIC Technology

This report documents the activities performed by Idaho National Laboratory (INL) during fiscal year (FY) 2021 for the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) Risk Assessment project. In FY-2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, and secure DI&C technologies for digital upgrades/designs. An integrated risk assessment technology for the DI&C systems (IRADIC technology) was proposed for this strategy, which aims to (1) provide a best-estimate risk-informed capability to quantitatively and accurately estimate the safety margin obtained from plant modernization, especially for the High Safety Significant Safety-related (HSSSR) DI&C systems, (2) develop an advanced risk assessment technology to support transition from analog to DI&C technologies for nuclear industry, (3) assure the long-term safety and reliability of vital HSSSR DI&C systems, (4) reduce uncertainty in costs and support integration of DI&C systems in the plant. To achieve these technical goals and deal with the expensive licensing justifications from regulatory insights, the IRADIC technology is instructive for nuclear vendors and utilities to effectively lower the costs associated with digital compliance and speed industry advances by: (1) defining an integrated risk-informed analysis process for DI&C upgrade, including hazard analysis, reliability analysis, and consequence analysis, (2) applying systematic and risk-informed tools to address common cause failures (CCFs) and quantify responding failure probabilities for DI&C technologies, particularly software CCFs, (3) evaluating the impact of digital failures at the individual level, system level, and plant level, (4) providing insights and suggestions on designs to manage the risks; thus, to support the development, licensing, and deployment of advanced DI&C technologies on nuclear power plant (NPPs). In this report, an approach for performing software CCF analysis, given limited data, is developed and demonstrated using a case study of a highly redundant digital reactor trip system. Consequence analysis is also performed based on different accident scenarios. Results indicate that plant modernization including the improvement of HSSSR DI&C systems will make great benefits to plant safety by providing more safety margins to accident management. In addition, a novel approach is proposed in this report for the quantification of software hazards when sufficient operational and testing data available. The method incorporates software development quality as well as strong analysis techniques to identify and link software defects to potential failure modes. The approach includes both semantic and test-based analysis to detect failures that can exist in different stages of the software development life cycle. This method is applied to an advanced human system interface relevant to reactor trip safety developed from the APR 1400 design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

International Benchmarking: A Global Perspective of Workplace Drug and Alcohol Testing

Workplace drug and alcohol testing has been widely implemented in diverse industries and is designed to detect the use of and deter the influence of legal and illegal substances that would impair the ability to perform work that has significant security and safety implications. Across the globe, patterns of drug and alcohol use and abuse and the regulations controlling drug and alcohol use vary by location (e.g., regions, countries, etc.). The prevalence of workplace drug and alcohol testing and protection of individuals’ rights in the workplace similarly tend to exhibit contextual differences. With the advancements in drug-testing technologies and the recent issuance of guidance for additional testing matrices (e.g., oral fluid, hair, etc.) by the U.S. Department of Health and Human Services, gaining a global perspective on the current state of drug and alcohol testing practices and regulations is important for leveraging such advancements to improve the effectiveness of drug and alcohol testing. The U.S. Nuclear Regulatory Commission (NRC) tasked the Pacific Northwest National Laboratory (PNNL) fitness for duty (FFD) team to conduct a benchmarking analysis of international drug and alcohol testing regulations and programs to identify similarities and differences in workplace testing programs and the basis for any differences. The benchmarking study focuses on a policy analysis and benchmarking metrics comparison among different countries and regions. The policy analysis includes the following three types of relevant international and national policies relevant to drug and alcohol testing in the nuclear industry: 1. National drug and alcohol policy 2. Workplace drug and alcohol testing 3. FFD regulations for Nuclear Power Plants The international drug and alcohol benchmarking metrics focusses on the use of blood, breath, urine, hair, and oral fluid in testing; drug and drug metabolite cutoff values; point-of-collection testing devices; roadside testing methodologies; innovations in drug testing; and the extent of availability of such data. Gaining an understanding of workplace drug and alcohol testing in other countries as well as information about new testing methods, matrices, tools, and technologies that other countries have adopted provides NRC with international comparative information regarding the technical basis for such programs and methods as it relates to the protection of worker and public health and safety.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

A METHODOLOGY TO SUPPORT THE DEVELOPMENT OF A NEW STATE VISION FOR THE UNITED STATES NUCLEAR INDUSTRY

A new strategy in the way in which the United States nuclear power plants (NPPs) are operated, maintained, and supported is needed. One such strategy is to transform the NPP operating model through a business-driven approach that leverages technology to enable new capabilities that improve performance and reduce cost. This paper presents a methodology for developing an achievable yet transformative new state vision that ensures continued safe and efficient operations of the United States NPP fleet. This work builds on existing guidance and leverages previous research to comprehensively address both bottom-up (i.e., utility needs) and top-down (i.e., first principles) considerations important for developing a new state vision. The proposed methodology is intended to provide industry-wide guidance for developing a new state vision that leverages both the selected vendor’s capabilities in a way that meets the utility’s modernization goals while ensuring state-of-the-art systems engineering and human factors engineering principles are applied that promote overall plant safety, performance, and efficiency.

99 GENERAL AND MISCELLANEOUS↗

Synaptic Functionality and Neuromorphic Information Processing in Membrane Ion Channel Junctions

The human brain performs complex memory and computational tasks with high energy efficiency by regulating ion transport through membrane channels. These signaling mechanisms have been inspiring the development of nanofluidic memristors that emulate synaptic behavior. Here, in this study, we describe a membrane ion channel synapse (MICS), constructed from aqueous droplets linked by gramicidin A channels, that achieves neuromorphic functionality. MICS exhibits memristive ion transport with hysteretic current–voltage behavior arising from voltage-dependent channel formation and ion transport dynamics. MICS emulates a range of synaptic behaviors including associative learning. We further demonstrate its application in reservoir computing by performing handwritten digit classification and tic-tac-toe game and explore the system parameters that improve the computational performance. This droplet-based biomimetic synapse offers a potentially scalable and energy-efficient platform for next-generation neuromorphic computing systems.

Droplet interface bilayer↗

Porous Materials for Water Purification

Abstract Water pollution is a growing threat to humanity due to the pervasiveness of contaminants in water bodies. Significant efforts have been made to separate these hazardous components to purify polluted water through various methods. However, conventional remediation methods suffer from limitations such as low uptake capacity or selectivity, and current water quality standards cannot be met. Recently, advanced porous materials (APMs) have shown promise in improved segregation of contaminants compared to traditional porous materials in uptake capacity and selectivity. These materials feature merits of high surface area and versatile functionality, rendering them ideal platforms for the design of novel adsorbents. This Review summarizes the development and employment of APMs in a variety of water treatments accompanied by assessments of task‐specific adsorption performance. Finally, we discuss our perspectives on future opportunities for APMs in water purification.

Song, Yanpei↗