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arXiv 2025年

作者： Nam, Juno Steiner, Miguel Misterka, Max Yang, Soojung Singhal, Avni Gómez-Bombarelli, Rafael Department of Materials Science and Engineering Massachusetts Institute of Technology CambridgeMA02139 United States Energy Storage Research Alliance Argonne National Laboratory 9700 South Cass Avenue LemontIL60439 United States Department of Mathematics Massachusetts Institute of Technology CambridgeMA02139 United States Computational and Systems Biology Program Massachusetts Institute of Technology CambridgeMA02139 United States

Identifying minimum-energy paths (MEPs) is crucial for understanding chemical reaction mechanisms but remains computationally demanding. We introduce MEPIN, a scalable machine-learning method for efficiently predicting MEPs from reactant and product configurations, without relying on transition-state geometries or pre-optimized reaction paths during training. The task is defined as predicting deviations from geometric interpolations along reaction coordinates. We address this task with a continuous reaction path model based on a symmetry-broken equivariant neural network that generates a flexible number of intermediate structures. The model is trained using an energy-based objective, with efficiency enhanced by incorporating geometric priors from geodesic interpolation as initial interpolations or pre-training objectives. Our approach generalizes across diverse chemical reactions and achieves accurate alignment with reference intrinsic reaction coordinates, as demonstrated on various small molecule reactions and [3+2] cycloadditions. Our method enables the exploration of large chemical reaction spaces with efficient, data-driven predictions of reaction pathways. Copyright © 2025, The Authors. All rights reserved.

关键词： Reaction intermediates

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A Modified Recommended Food Score Is Associated with a Lower Incidence of High Blood Pressure in Middle-Aged and Older Korean Men: The Korean Genome and Epidemiology Study

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Current Developments in Nutrition 2022年 6卷 908-908页

作者： Hwang, Jiyoung Kim, Jeongsu Kim, Hyesook Kwon, Oran Ewha Womans University Department of Nutritional Science and Food Management Graduate Program in System Health Science and Engineering Department of Nutritional Science and Food Management Graduate Program in System Health Science and Engineering Ewha Womans University

Objectives:This cohort study investigated the association between the modified RFS (Recommended Food Score) and incident high blood pressure in Korean adults from the Korean Genome and Epidemiology Study (KoGES). Methods:We prospectively analysed 2,854 (1,028 men and 1,556 women) participants aged 40–69 years without high blood pressure at baseline during a 16-year follow-up period. A dish-based, semi-quantitative, 103-item food frequency questionnaire was used to assess dietary intakes at baseline. The modified RFS (a total of 65 points) is based on the reported consumption of foods recommended in the Dietary Approaches to Stop Hypertension (DASH) diet modified for Korean foods. High blood pressure included hypertension and prehypertension, also known as stage 1 hypertension (a systolic blood pressure ≥120 mmHg, diastolic blood pressure ≥80 mmHg). Cox proportional hazards model was used to examine the association between modified RFS scores and the risk of incident high blood pressure. Results:A total of 1,663 participants (761 men and 902 women) developed high blood pressure during an average follow-up of 87 months (range 17–183 months). The modified RFS was positively correlated with the DASH diet score in men (r = 0.6492; p < 0.0001) and women (r = 0.7291; p < 0.0001), respectively. Men with the highest quintile of the modified RFS had a 24% lower incidence of high blood pressure than those with the lowest quintile (adjusted hazard ratio = 0.76, 95% confidence interval = 0.60–0.96, p-trend = 0.0218). However, there was no association between modified RFS and incident high blood pressure in women. Conclusions:A higher modified RFS was associated with a reduced risk of incident high blood pressure in middle-aged and older Korean men. Further prospective studies of larger scale or intervention studies are needed to confirm these findings. Funding Sources:This work was supported by the Bio & Medical Technology Development program of the National Research Foundation

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Prediction of Forest Fire Using Machine Learning Algorithms: The Search for the Better Algorithm

Prediction of Forest Fire Using Machine Learning Algorithms:...

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IEEE Conference on Innovative Technologies in Intelligent Systems and Industrial Applications (CITISIA)

作者： Pranati Rakshit Srestha Sarkar Sambit Khan Pritam Saha Sonali Bhattacharyya Nilarpan Dey Sardar M.N. Islam Souvik Pal Computer Science of Engineerng JIS College of Engineering Kalyani India ISILC and Decision Sciences and Modeling Program Victoria University Australia Computer Science of Engineerng Global Institute of Management and Technology Krishnanagar India

ISBN: (纸本)9781665417853

Forest fire has several devastating effects on the natural vegetation and the forest lives. The forest fire plays an important role in everyone’s lives and also in our environment. Forest fire is an integral part of many ecosystems such as grassland, temperate forest etc. The ability to predict the area where the forest fire may occur will help in optimizing the situation. The paper presented the prediction of forest fire risk with the help of a machine learning algorithm by using meteorological data. From the existing literature and Limitations, we can show that Different studies have shown the amount of burnt area due to the forest fire, and many have proposed different models to predict forest fire. But there is no such literature which predicts the depth of risk for this forest fire specifically. For that reason, the objective of this work is to predict the risk of forest fire by identifying the particular area as highly prone, moderately prone, low prone and no fire prone area. As a Present Research, in this paper we have worked with different classification models to check which models work best to predict forest fire with greater accuracy. The results we have obtained with the help of various classifiers in machine learning are much better and reliable than the results obtained by traditional computing methods. Thus, this paper indicates a deeper investigation in the field of predicting forest fire risk through machine learning. As a contribution, in this paper we have used SVM, KNN, Decision Tree, Naive Bayes classifier for prediction purposes. The main objective of this paper is to predict the possibility of forest fire with its intensity in specific atmospheric conditions in a given location. We have made comparison of the performance analysis of the different machine learning classifiers. At the end of the abstract, we got the highest AUC value of 0.99 and classification accuracy of 0.98 using Decision Tree to predict the same.

关键词： Dimensionality reduction Machine learning algorithms Biological system modeling Computational modeling Atmospheric modeling Forestry Vegetation

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Hybridization of colloidal handlebodies with singular defects and topological solitons in chiral liquid crystals

arXiv

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arXiv 2025年

作者： Lee, Jun-Yong Kumari, Asha Yuan, Ye Tasinkevych, Mykola Smalyukh, Ivan I. International Institute for Sustainability with Knotted Chiral Meta Matter Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Department of Physics and Mathematics School of Science and Technology Nottingham Trent University Clifton Lane NottinghamNG11 8NS United Kingdom Department of Physics University of Colorado BoulderCO80309 United States Department of Electrical Computer and Energy Engineering Materials Science and Engineering Program and Soft Materials Research Center University of Colorado BoulderCO80309 United States Renewable and Sustainable Energy Institute National Renewable Energy Laboratory University of Colorado BoulderCO80309 United States

Topology can manifest itself in colloids when quantified by invariants like Euler characteristics of nonzero-genus colloidal surfaces, albeit spherical colloidal particles are most often studied, and colloidal particles with complex topology are rarely considered. On the other hand, singular defects and topological solitons often define the physical behavior of the molecular alignment director fields in liquid crystals. Interestingly, nematic liquid crystalline dispersions of colloidal particles allow for probing the interplay between topologies of surfaces and fields, but only a limited number of such cases have been explored so far. Here, we study the hybridization of topological solitons, singular defects, and topologically nontrivial colloidal particles with the genus of surfaces different from zero in a chiral nematic liquid crystal phase. Hybridization occurs when distortions separately induced by colloidal particles and LC solitons overlap, leading to energy minimization-driven redistribution of director field deformations and defects. As a result, hybrid director configurations emerge, combining topological features from both components. We uncover a host of director field configurations complying with topological theorems, which can be controlled by applying electric fields. Rotational and translational dynamics arise due to the nonreciprocal evolution of the director fields in response to alternating electric fields of different frequencies. These findings help define a platform for controlling topologically hyper-complex colloidal structures and dynamics with electrically reconfigurable singular defects and topological solitons induced by colloidal handlebodies. Copyright © 2025, The Authors. All rights reserved.

关键词： Topology

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Novel diamond shuttle to deliver flexible neural probe with reduced tissue compression

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Microsystems & Nanoengineering 2020年第1期6卷 903-915页

作者： Kyounghwan Na Zachariah J.Sperry Jiaao Lu Mihaly Voroslakos Saman S.Parizi Tim M.Bruns Euisik Yoon John P.Seymour Electrical Engineering&Computer Science Department University of MichiganAnn ArborMI 48105USA Biomedical Engineering Department University of MichiganAnn ArborMI 48105USA Biointerfaces Institute University of MichiganAnn ArborMI 48105USA The Neuroscience Institute New York UniversityNew YorkNY 10016USA Center for Nanomedicine Institute for Basic Science(IBS)Seoul 03722Korea Graduate Program of Nano Biomedical Engineering(Nano BME) Yonsei-IBS InstituteYonsei UniversitySeoul 03722Korea Vivian L Smith Department of Neurosurgery University of Texas Health Science CenterHoustonTX 77030USA Department of Electrical and Computer Engineering Rice UniversityHoustonTX 77005USA

The ability to deliver flexible biosensors through the toughest membranes of the central and peripheral nervous system is an important challenge in neuroscience and neural *** devices implanted through dura mater and thick epineurium would ideally create minimal compression and acute damage as they reach the neurons of *** demonstrate that a three-dimensional diamond shuttle can be easily made with a vertical support to deliver ultra-compliant polymer microelectrodes(4.5-µm thick)through dura mater and thick *** diamond shuttle has 54%less cross-sectional area than an equivalently stiff silicon shuttle,which we simulated will result in a 37%reduction in blood vessel *** also discovered that higher frequency oscillation of the shuttle(200Hz)significantly reduced tissue compression regardless of the insertion speed,while slow speeds also independently reduced tissue *** and recording performance are demonstrated in rat and feline models,but the large design space of these tools are suitable for research in a variety of animal models and nervous system targets.

关键词： sectional neural thick

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Promotion of the Glutathione Defense System From Aronia Berry Extract With Acute Aerobic Exercise: A Double-Blind Randomized Controlled Trial in Healthy Adults.

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Current Developments in Nutrition 2022年 6卷 1166-1166页

作者： Kim, JiEon Chung, Jae Won Nam, Yea-eun Jang, Jaehui Kwon, Oran Ewha Womans University Department of Nutritional Science and Food Management Graduate Program in System Health Science and Engineering Department of Nutritional Science and Food Management Graduate Program in System Health Science and Engineering Ewha Womans University

Objectives:This study aimed to examine the protective effects of Aronia melanocarna berry extract (ABE) supplementation against the acute aerobic exercise (AAE) – induced oxidative stress in healthy subjects. Methods:A 8-week, randomized, double-blind, parallel, placebo-controlled trial were conducted with 70 healthy middle-aged adults. We assessed a battery of AAE-induced oxidate stress biomarkers at pre-exercise, immediately post-exercise, and 30-min post-exercise. The AAE challenge model, as a treadmill exercise for 30 minutes at 60% VO2max, was applied to load oxidative stress at the end of the study. A linear mixed-effect model was used to test differences of safety and effectiveness between two groups and Pearson’s correlation coefficients assessed the statistical association. Results:The AAE-induced time course-dependent oxidative stress was well-observed in the placebo group regarding the glutathione peroxidase activity and glutathione availability for antioxidant defense; and erythrocyte malondialdehyde, interleukin-6, and lactate levels for oxidative damage. Meanwhile, the ABE supplementation improved the glutathione defense system by increasing glutathione availability and glutathione peroxidase activity during exercise and post-exercise recovery periods. In addition, the scatter plot and linear regression analysis revealed strong negative correlations of GSH availability with oxidized LDL and erythrocyte malonaldehyde levels. Conclusions:These finding suggest ABE supplementation might affect to improve antioxidant defense mechanism in healthy adults with low fruit and vegetable intake. Funding Sources:This research was supported by the BK21 FOUR (Fostering Outstanding Universities for Research) funded by the Ministry of Education (MOE, Korea) and the National Research Foundation of Korea (NRF), and the Bio & Medical Technology Development program of the National Research Foundation (NRF), funded by the Ministry of science & ICT (2012M3A9C4048761).

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Work capacity of compost applicator on paddy field

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AIP Conference Proceedings 2023年第1期2596卷

作者： Iqbal Muhammad Reza Fikri Azhar Mahmud Achmad Muhammad Tahir Sapsal Andi Azizah Agricultural Engineering Study Program Hasanuddin University Makassar Indonesia Environmental Quality Management Study Program Wrocław University of Science and Technology Wrocław Poland

The addition of compost (organic fertilizer) is essential to maintain agricultural land productivity. Nutrients have a role in plant growth and development, especially in paddy plants. The application of distributing compost (organic fertilizer) on agricultural land requires considerable energy and costs, especially if the land is large. In order to overcome this, an applicator is used to reduce costs and energy and streamline the fertilization process time. This applicator is specially designed to spread compost (organic fertilizer) to agricultural land with a certain dose. This study aimed to calculate the working capacity and efficiency of the compost applicator in paddy fields. The study was conducted by direct testing in the fields with three different speed treatments, namely at 2.71 km/hour, 3.38 km/hour, and 4.62 km/hour. The calculation results show that the optimum speed of the applicator in paddy fields is 2.71 km/hour. The working capacity obtained is 0.35 ha/hour for theoretical field capacity and 0.26 ha/hour for effective field capacity with a field efficiency of 74.74%.

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Onset of visible capillary waves from high-frequency acoustic excitation

arXiv

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arXiv 2022年

作者： Zhang, Shuai Orosco, Jeremy Friend, James Medically Advanced Devices Laboratory Center for Medical Device Engineering and Biomechanics Department of Mechanical and Aerospace Engineering Jacobs School of Engineering University of California La Jolla San DiegoCA92093-0411 United States Materials Science and Engineering Program Jacobs School of Engineering University of California La Jolla San DiegoCA92093-0411 United States Department of Surgery School of Medicine University of California La Jolla San DiegoCA92093 United States

Remarkably, the interface of a fluid droplet will produce visible capillary waves when exposed to acoustic waves. For example, a small (∼ 1 µL) sessile droplet will oscillate at a low ∼ 102 Hz frequency when weakly driven by acoustic waves at ∼ 106 Hz frequency and beyond. We measured such a droplet's interfacial response to 6.6 MHz ultrasound to gain insight into the energy transfer mechanism that spans these vastly different timescales, using high-speed microscopic digital transmission holography, a unique method to capture three-dimensional surface dynamics at nanometer space and microsecond time resolutions. We show that low-frequency capillary waves are driven into existence via a feedback mechanism between the acoustic radiation pressure and the evolving shape of the fluid interface. The acoustic pressure is distributed in the standing wave cavity of the droplet, and as the shape of the fluid interface changes in response to the distributed pressure present on the interface, the standing wave field also changes shape, feeding back to produce changes in the acoustic radiation pressure distribution in the cavity. A physical model explicitly based upon this proposed mechanism is provided, and simulations using it were verified against direct observations of both the microscale droplet interface dynamics from holography and internal pressure distributions using microparticle image velocimetry. The pressure-interface feedback model accurately predicts the vibration amplitude threshold at which capillary waves appear, the subsequent amplitude and frequency of the capillary waves, and the distribution of the standing wave pressure field within the sessile droplet responsible for the capillary waves. © 2022, CC BY-NC-ND.

关键词： Pressure distribution

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Extraction of ultradian rhythm component reflecting REM-NREM sleep cycle from core body temperature 2

Extraction of ultradian rhythm component reflecting REM-NREM...

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2nd IEEE Global Conference on Life sciences and Technologies, LifeTech 2020

作者： Sawai, Hiroko Kurahashit, Tetsuo Matsumoto, Maki Koyama, Emi Toyota Central RandD Labs. Inc. Human Science Research Domain Aichi Japan Kyoto Institute of Technology Doctoral Program of Engineering Design Kyoto Japan

ISBN: (纸本)9781728170633

Rapid eye movement - non rapid eye movement (REM-NREM) sleep and daytime sleepiness vary with ultradian rhythm (U rhythm) of approximately 1-2 hour period. U rhythm component was also found in suprachiasmatic nucleus which is a master clock of circadian rhythm (C rhythm). However, the interaction between U and C rhythms is not fully understood. To find a measure to reveal the interaction between U and C rhythms, we focused on core body temperature (CBT) which shows C rhythm. U rhythm of CBT recorded using rectal temperature was analyzed comparing to REM-NREM sleep cycle. As results, U rhythm components reflecting REM-NREM sleep cycle were extracted from CBT by filtering. In addition, U rhythm components of CBT through a day were also extracted. Therefore, it is suggested that CBT can be used as a measure to evaluate U and C rhythms. This finding might contribute to revealing the interaction between U and C rhythms. © 2020 IEEE.

关键词： Sleep research

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Effects of Residual Pah Exposure from Firefighters’ Skin and Turnout Gear on Biospecimen Microrna Expression

SSRN

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SSRN 2025年

作者： Hwang, Jooyeon Gipson, Jenny Xu, Chao VanWagoner, Timothy Xu, Xin Agnew, Robert J. Freeman, Willard M. Department of Environmental and Occupational Health Sciences School of Public Health University of Texas Health Science Center HoustonTX United States Southwest Center for Occupational and Environmental Health University of Texas Health Science Center HoustonTX United States Laboratory for Molecular Biology and Cytometry Research The University of Oklahoma Health Sciences Oklahoma CityOK United States Department of Biostatistics and Epidemiology Hudson College of Public Health The University of Oklahoma Health Sciences Oklahoma CityOK United States Oklahoma Clinical and Translational Science Institute University of Oklahoma Health Sciences Oklahoma CityOK United States Shanghai Anti-doping Laboratory Shanghai University of Sport Shanghai China Fire Protection & Safety Engineering Technology Program College of Engineering Architecture and Technology Oklahoma State University StillwaterOK United States Genes & Human Disease Research Program Oklahoma Medical Research Foundation Oklahoma CityOK United States Oklahoma City Veterans Affairs Medical Center Oklahoma CityOK United States

Firefighters are routinely exposed to polycyclic aromatic hydrocarbons (PAHs) during fire suppression activities, molecular biomarkers reflecting such exposure remain underexplored. Thus, we explored an integrated exposure assessment framework linking PAH contamination on turnout gear and skin to changes in microRNA (miRNA) expression in skin and blood biospecimens. Our goals are to evaluate the relationship between fire-related PAH exposure and miRNA expression profiles in firefighters, and to identify candidate miRNA biomarkers of occupational exposure. This prospective study enrolled 25 firefighters. PAHs on turnout gear and skin were quantified post-fire using gas chromatography/mass spectrometry. Concurrently, skin tape strips and blood were collected and analyzed for miRNA expression using NanoString’s nCounter platform. Bioinformatic analyses, including differential expression, pathway enrichment, and network modeling, were performed to evaluate PAH-associated miRNA dynamics. Five miRNAs showed significant differential expression following fire activity (q © 2025, The Authors. All rights reserved.

关键词： Biomarkers

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