To date, poly- and perfluoroalkyl substances (PFAS) represent a real threat for their environmental persistence, wide physicochemical variability, and their potential toxicity. Thus far a large portion of these chemicals remain structurally unknown. These chemicals, therefore, require the implementation of complex non-targeted analysis workflows using liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) for their comprehensive detection and monitoring. This approach, even though comprehensive, does not always provide the much-needed analytical resolution for the analysis of complex PFAS mixtures such as fire-fighting aqueous film-forming foams (AFFFs). This study consolidates the advantages of the LC×LC technique hyphenated with high-resolution tandem mass spectrometry (HRMS/MS) for the identification of PFAS in AFFF mixtures. A total of 57 PFAS homolog series (HS) were identified in 3M and Orchidee AFFF mixtures thanks to the (i) high chromatographic peak capacity (n\'2D,c ~ 300) and the (i) increased mass domain resolution provided by the \"remainder of Kendrick Mass\" (RKM) analysis on the HRMS data. Then, we attempted to annotate the PFAS of each HS by exploiting the available reference standards and the FluoroMatch workflow in combination with the RKM defect by different fluorine repeating units, such as CF2, CF2O, and C2F4O. This approach resulted in 12 identified PFAS HS, including compounds belonging to the HS of perfluoroalkyl carboxylic acids (PFACAs), perfluoroalkyl sulfonic acids (PFASAs), (N-pentafluoro(5)sulfide)-perfluoroalkane sulfonates (SF5-PFASAs), N-sulfopropyldimethylammoniopropyl perfluoroalkane sulfonamides (N-SPAmP-FASA), and N-carboxymethyldimethylammoniopropyl perfluoroalkane sulfonamide (N-CMAmP-FASA). The annotated categories of perfluoroalkyl aldehydes and chlorinated PFASAs represent the first record of PFAS HS in the investigated AFFF samples.

Exposomics aims to measure human exposures throughout the lifespan and the changes they produce in the human body. Exposome-scale studies have significant potential to understand the interplay of environmental factors with complex multifactorial diseases widespread in our society and whose origin remain unclear. In this framework, the study of the chemical exposome aims to cover all chemical exposures and their effects in human health but, today, this goal still seems unfeasible or at least very challenging, which makes the exposome for now only a concept. Furthermore, the study of the chemical exposome faces several methodological challenges such as moving from specific targeted methodologies towards high-throughput multitargeted and non-targeted approaches, guaranteeing the availability and quality of biological samples to obtain quality analytical data, standardization of applied analytical methodologies, as well as the statistical assignment of increasingly complex datasets, or the identification of (un)known analytes. This review discusses the various steps involved in applying the exposome concept from an analytical perspective. It provides an overview of the wide variety of existing analytical methods and instruments, highlighting their complementarity to develop combined analytical strategies to advance towards the chemical exposome characterization. In addition, this review focuses on endocrine disrupting chemicals (EDCs) to show how studying even a minor part of the chemical exposome represents a great challenge. Analytical strategies applied in an exposomics context have shown great potential to elucidate the role of EDCs in health outcomes. However, translating innovative methods into etiological research and chemical risk assessment will require a multidisciplinary effort. Unlike other review articles focused on exposomics, this review offers a holistic view from the perspective of analytical chemistry and discuss the entire analytical workflow to finally obtain valuable results.

UNASSIGNED: To develop a robust algorithm to accurately calculate \'daily complete dose counts\' for inhaled medicines, used in percent adherence calculations, from electronically-captured nebulizer data within the CFHealthHub Learning Health System.
UNASSIGNED: A multi-center, cross-sectional study involved participants and clinicians reviewing real-world inhaled medicine usage records and triangulating them with objective nebulizer data to establish a consensus on \'daily complete dose counts.\' An algorithm, which used only objective nebulizer data, was then developed using a derivation dataset and evaluated using internal validation dataset. The agreement and accuracy between the algorithm-derived and consensus-derived \'daily complete dose counts\' was examined, with the consensus-derived count as the reference standard.
UNASSIGNED: Twelve people with CF participated. The algorithm derived a \'daily complete dose count\' by screening out \'invalid\' doses (those <60s in duration or run in cleaning mode), combining all doses starting within 120s of each other, and then screening out all doses with duration < 480s which were interrupted by power supply failure. The kappa co-efficient was 0.85 (0.71-0.91) in the derivation and 0.86 (0.77-0.94) in the validation dataset.
UNASSIGNED: The algorithm demonstrated strong agreement with the participant-clinician consensus, enhancing confidence in CFHealthHub data. Publishingdata processing methods can encourage trust in digital endpoints and serve as an exemplar for other projects.

With the acceleration of the mining process, the goaf has become one of the main sources of danger in underground mines, seriously threatening the safe production of mines. To make an accurate prediction of the risk level of the goaf quickly, this paper optimizes the features of the goaf by correlation analysis and feature importance and constructs a combination of feature parameters for the risk level prediction of the goaf to solve the problem of redundancy of evaluation indexes. Multiple machine learning algorithms are applied to 121 sets of goaf data respectively, and the optimal algorithm and the best combination of feature parameters are obtained by evaluating the mining area with multiple indicators such as accuracy and kappa coefficient. The best combination of features parameters are ground-water, goaf layout, volume of goaf, goaf volume, span-height ratio, and mining disturbance, and the optimal algorithm is Extra Tree (ET), which needles the goaf risk level prediction problem with the accuracy of 94%. This model can be used to solve the problem of how to quickly and accurately predict the risk level of the goaf.

Breast cancer diagnosis is crucial for timely treatment and improved outcomes. This paper proposes a novel approach for rapid breast cancer diagnosis using optical fiber probe-based attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy from 750 to 4000 cm-1 . The technique enables direct analysis of tissue samples, eliminating the need for microtome sectioning and staining, thus saving time and resources. By capturing molecular fingerprint information, various machine-learning models were used to analyze the spectroscopic data to classify cancerous and non-cancerous tissues accurately. Comparing deparaffinized and paraffinized samples reveals the impact of sample preparation and experimental methods. The study demonstrates a strong correlation between the cancerous nature of a sample and its ATR-FTIR spectrum, suggesting its potential for breast cancer diagnosis (sensitivity of 74.2% and specificity of 78.3%). The proposed approach holds promise for integration into clinical operations, providing a rapid method for preliminary breast cancer diagnosis.

Optimizing metabolomics data processing parameters is a challenging and fundamental task to obtain reliable results. Automated tools have been developed to assist this optimization for LC-MS data. GC-MS data require substantial modifications in processing parameters, as the chromatographic profiles are more robust, with more symmetrical and Gaussian peaks. This work compared an automated XCMS parameter optimization using the Isotopologue Parameter Optimization (IPO) software with manual optimization of GC-MS metabolomics data. Additionally, the results were compared to online XCMS platform.
GC-MS data from control and test groups of intracellular metabolites from Trypanosoma cruzi trypomastigotes were used. Optimizations were performed on the quality control (QC) samples.
The results in terms of the number of molecular features extracted, repeatability, missing values, and the search for significant metabolites showed the importance of optimizing the parameters for peak detection, alignment, and grouping, especially those related to peak width (fwhm, bw) and noise ratio (snthresh).
This is the first time that a systematic optimization using IPO has been performed on GC-MS data. The results demonstrate that there is no universal approach for optimization but automated tools are valuable at this stage of the metabolomics workflow. The online XCMS proves to be an interesting processing tool, helping, above all, in the choice of parameters as a starting point for adjustments and optimizations. Although the tools are easy to use, there is still a need for technical knowledge about the analytical methods and instruments used.

BACKGROUND: Studies conducted in the United States such as the National Survey of Family Growth (NSFG) and the Pregnancy Risk Assessment Monitoring System (PRAMS) collect data on pregnancy intentions to aid in improving health education, services, and programs. PRAMS collects data from specific sites, and NSFG is a national household-based survey. Like NSFG, the Surveys of Women was designed to survey participants residing in households using an address-based sample and a multimode data collection approach. The Surveys of Women collects data from eligible participants in 9 states within the United States on contraception use, reproductive health, and pregnancy intentions. In this paper, we focus on the baseline data collection protocol, including sample design, data collection procedures, and data processing. We also include a brief discussion on the follow-up and endline survey methodologies. Our goal is to inform other researchers on methods to consider when fielding a household-level reproductive health survey.
OBJECTIVE: The Surveys of Women was developed to support state-specific research and evaluation projects, with an overall goal of understanding contraceptive health practices among women aged 18-44 years. The project collects data from respondents in 9 different states (Arizona, Alabama, Delaware, Iowa, Maryland, New Jersey, Ohio, South Carolina, and Wisconsin) over multiple rounds.
METHODS: Households were selected at random using address-based sampling methods. This project includes a cross-sectional baseline survey, 2 or 3 follow-up surveys with an opt-in panel of respondents, and a cross-sectional endline survey. Each round of data collection uses a multimode design through the use of a programmed web survey and a formatted hard copy questionnaire. Participants from the randomly selected households access their personalized surveys through a web survey or mail in a hard copy questionnaire. To maximize responses, these surveys follow a rigorous schedule of various prompts bolstering the survey implementation design, and the participants received a modest monetary incentive.
RESULTS: This is an ongoing project with results published separately by the evaluation teams involved with data analysis.
CONCLUSIONS: The methods used in the first baseline survey informed modifications to the methods used in subsequent statewide surveys. Data collected from this project will provide insight into women\'s reproductive health, contraceptive use, and abortion attitudes in the 9 selected states. The long-term goal of the project is to use a data collection methodology that collects data from a representative sample of participants to assess changes in reproductive health behaviors over time.
UNASSIGNED: DERR1-10.2196/40675.

Nuclear magnetic resonance (NMR) is a powerful tool for formation evaluation in the oil industry to determine parameters, such as pore structure, fluid saturation, and permeability of porous materials, which are critical to reservoir engineering. The inversion of the measured relaxation data is an ill-posed problem and may lead to deviations of inversion results, which may degrade the accuracy of further data analysis and evaluation. This paper proposes a deep learning method for multi-exponential inversion of NMR relaxation data to improve accuracy. Simulated NMR data are first constructed using a priori knowledge based on the signal parameters and Gaussian distribution. These data are then used to train the neural network designed to consider noise characteristics, signal decay characteristics, signal energy variations, and non-negative features of the T2 spectra. With the validation from simulated data, the models introduced by multi-scale convolutional neural network (CNN) and attention mechanism outperform other approaches in terms of denoising and T2 inversion. Finally, NMR measurements of rock cores are used to compare the effectiveness of the attention multi-scale convolutional neural network (ATT-CNN) model in practical applications. The results demonstrate that the proposed method based on deep learning has better performance than the regularization method.

BACKGROUND: Education and training are needed for nursing students using artificial intelligence-based educational programs. However, few studies have assessed the effect of using chatbots in nursing education.
OBJECTIVE: This study aimed to develop and examine the effect of an artificial intelligence chatbot educational program for promoting nursing skills related to electronic fetal monitoring in nursing college students during non-face-to-face classes during the COVID-19 pandemic.
METHODS: This quasi-experimental study used a nonequivalent control group non-synchronized pretest-posttest design.
METHODS: The participants were 61 junior students from a nursing college located in G province of South Korea. Data were collected between November 3 and 16, 2021, and analyzed using independent t-tests.
RESULTS: The experimental group-in which the artificial intelligence chatbot program was applied-did not show statistically significant differences in knowledge (t = -0.58, p = .567), clinical reasoning competency (t = 0.75, p = .455), confidence (t = 1.13, p = .264), and feedback satisfaction (t = 1.72, p = .090), compared with the control group; however, its participants\' interest in education (t = 2.38, p = .020) and self-directed learning (t = 2.72, p = .006) were significantly higher than those in the control group.
CONCLUSIONS: The findings of our study highlighted the potential of artificial intelligence chatbot programs as an educational assistance tool to promote nursing college students\' interest in education and self-directed learning. Moreover, such programs can be effective in enhancing nursing students\' skills in non-face-to face-situations caused by the ongoing COVID-19 pandemic.

UNASSIGNED: In the big data era, patient-based real-time quality control (PBRTQC), as an emerging quality control (QC) method, is expanding within the clinical laboratory industry. However, the main issue of current PBRTQC methodology is data stability. Our study is aimed to explore a novel protocol for data stability by combining delta data with machine learning (ML) technique to improve the capacity of QC event detection.
UNASSIGNED: A data set of 423,290 laboratory results from Beijing Chao-yang Hospital 2019 patient results were used as a training set (n = 380960, 90%) and internal validation set (n = 42330, 10%). A further 22,460 results from Beijing Long-fu Hospital 2019 patient results were used as a test set. Three-type data (1) Single-type data processed by truncation limits; (2) delta-type data processed by truncation limits and (3)delta-type data processed by Isolated Forest (IF) algorithm were evaluated with accuracy, sensitivity, NPed, etc., and compared with previously published statistical methods.
UNASSIGNED: The optimal model was based on Random Forest (RF) algorithm by using delta-type data processed by IF algorithm. The model had a better accuracy (0.99), sensitivity (0.99) specificity (0.99) and AUC (0.99) with the dependent test set, surpassing the critical bias of PBRTQC by over 50%. For the LYMPH#, HGB, and PLT, the cumulative MNPed of MLQC were reduced by 95.43%, 97.39%, and 97.97% respectively when compared to the best of the PBRTQC.
UNASSIGNED: Final results indicate that by integrating an innovative ML algorithm with the overall data processing protocol the detection of QC events is improved.