Molecular Dynamics Simulation of CO₂-ECBM Under Different Moisture Contents by Xiaoyu Cheng, Xuanping Gong, Cheng Cheng, Quangui Li, Ziqiang Li

“…The water and methane (CH₄)/carbon dioxide (CO₂) molecules compete for adsorption and undergo a series of reactions that affect gas diffusion. In this study, Monte Carlo and molecular dynamics methods were used to investigate the microscopic mechanism of CH₄/CO₂ competitive adsorption and diffusion during CO₂-enhanced coal bed methane mining (ECBM) under different moisture contents, and the geological storage potential of CO₂ was predicted. …”
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Mass‐Guided Single‐Cell MALDI Imaging of Low‐Mass Metabolites Reveals Cellular Activation Markers by James L. Cairns, Johanna Huber, Andrea Lewen, Jessica Jung, Stefan J. Maurer, Tobias Bausbacher, Stefan Schmidt, Pavel A. Levkin, Daniel Sevin, Kerstin Göpfrich, Philipp Koch, Oliver Kann, Carsten Hopf

“…In conjunction with giant unilamellar vesicles (GUVs) as MSI ground truth for cell‐sized objects and Monte Carlo reference‐based consensus clustering for data‐dependent identification of cell subpopulations, PRISM‐MS enables MSI and on‐cell MS2‐based identification of low‐mass metabolites like amino acids or Krebs cycle intermediates involved in stimulus‐dependent cell activation. …”
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Mapping neutron biological effectiveness for DNA damage induction as a function of incident energy and depth in a human sized phantom by Alice Mentana, Virgilio Quaresima, Pavel Kundrát, Isabella Guardamagna, Leonardo Lonati, Ombretta Iaria, Andrea Previtali, Giorgia Santi Amantini, Luca Lunati, Virginia Boretti, Livio Narici, Luca Di Fino, Luca Bocchini, Claudio Cipriani, Giorgio Baiocco

“…To this aim, we combined the simulation of radiation transport through biological matter, performed with the Monte Carlo code PHITS, and the prediction of DNA damage using analytical formulas, which ground on a large database of biophysical radiation track structure simulations performed with the code PARTRAC. …”
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Cost Savings in Chronic Pain Patients Initiating Peripheral Nerve Stimulation (PNS) with a 60-Day PNS Treatment by David M. Dickerson, Hemant Kalia, Kevin E. Vorenkamp, Konstantin V. Slavin, Jonathan M. Hagedorn, Candace Gunnarsson, Eric L. Keuffel, Andrew J. Epstein, Mark Stultz, Nathan D. Crosby

“…For the economic model, a Monte Carlo simulation with 10,000 iterations was used to generate 95% confidence intervals, considering variability in treatment outcome probability and costs. …”
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Interstep Variations of Stairways and Associations of High-Contrast Striping and Fall-Related Events: Observational Study by Sara A Harper, Chayston Brown, Shandon L Poulsen, Tyson S Barrett, Christopher J Dakin

“…A total of 10,000 samples (observations) of 20 fall-related events were drawn with 0.25 probability from each condition to determine the probability of observing a distribution with the constraints outlined by the hypotheses by a computerized Monte Carlo simulation. ResultsIn total, 11,137 individual stair user observations had 20 fall-related events. …”
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Septuple XBi2Te4 (X=Ge, Sn, Pb) intercalated MnBi2Te4 for realizing interlayer ferromagnetism and quantum anomalous hall effect by Ruixia Yang, Xiaoxiao Man, Jiahui Peng, Jingjing Zhang, Fei Wang, Fang Wang, Huisheng Zhang, Xiaohong Xu

“…Using first-principles calculations, we demonstrate that the p z orbital of the X atom mediates interactions between interlayer Mn atoms, enabling FM coupling. Monte Carlo simulations predict a magnetic transition temperature of 38 K for the MnBi2Te4/PbBi2Te4/MnBi2Te4 heterostructure. …”
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Correcting forest aboveground biomass biases by incorporating independent canopy height retrieval with conventional machine learning models using GEDI and ICESat-2 data by Biao Zhang, Zhichao Wang, Tiantian Ma, Zhihao Wang, Hao Li, Wenxu Ji, Mingyang He, Ao Jiao, Zhongke Feng

“…Random Forest (RF) and Monte Carlo-based uncertainty analysis were employed to evaluate the most suitable spaceborne LiDAR dataset for CH estimation. …”
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A novel model-based meta-analysis to indirectly estimate the comparative efficacy of two medications: an example using DPP-4 inhibitors, sitagliptin and linagliptin, in treatment o... by Yan Gong, James Rogers, Christian Friedrich, Sanjay Patel, Alexander Staab, Jorge Luiz Gross, Daniel Polhamus, William Gillespie, Brigitta Ursula Monz, Silke Retlich

“…Comparison of two oral dipeptidyl peptidase (DPP)-4 inhibitors, sitagliptin and linagliptin, for type 2 diabetes mellitus (T2DM) treatment was used as an example.Design Systematic review with MBMA.Data sources MEDLINE, EMBASE, http://www.ClinicalTrials.gov, Cochrane review of DPP-4 inhibitors for T2DM, sitagliptin trials on Food and Drug Administration website to December 2011 and linagliptin data from the manufacturer.Eligibility criteria for selecting studies Double-blind, randomised controlled clinical trials, ≥12 weeks’ duration, that analysed sitagliptin or linagliptin efficacies as changes in glycated haemoglobin (HbA1c) levels, in adults with T2DM and HbA1c >7%, irrespective of background medication.Model development and application A Bayesian model was fitted (Markov Chain Monte Carlo method). The final model described HbA1c levels as function of time, dose, baseline HbA1c, washout status/duration and ethnicity. …”
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Contagious acquisition of antimicrobial resistance is critical for explaining emergence in western Canadian feedlots—insights from an agent-based modelling tool by Dana Ramsay, Wade McDonald, Michelle Thompson, Nathan Erickson, Sheryl Gow, Nathaniel D. Osgood, Cheryl Waldner

“…Calibrated parameter values were used in a series of Monte Carlo experiments to generate simulated outputs at both the pen and feedlot levels. …”
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Identification of the primary pollution sources and dominant influencing factors of soil heavy metals using a random forest model optimized by genetic algorithm coupled with geodet... by Tong Liu, Mingshi Wang, Mingya Wang, Qinqing Xiong, Luhao Jia, Wanqi Ma, Shaobo Sui, Wei Wu, Xiaoming Guo

“…Geodetector and a genetic algorithm optimized random forest model (GA-RF) were employed to quantify the dominant factors and precisely identify pollution sources. A Monte Carlo model was further applied to assess source-oriented health risk probabilities across age groups in the study area. …”
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Longitudinal associations between air pollution and incident dementia as mediated by MRI-measured brain volumes in the UK Biobank by Rhiannon Thompson, Xinning Tong, Xueyi Shen, Jinjun Ran, Shengzhi Sun, Xiaoxin Iris Yao, Chen Shen

“…Mediation of exposure-outcome associations by plausible brain volumes (those associated with both environmental exposure and dementia outcomes) were modelled using the quasi-Bayesian Monte Carlo method (N = 34,817–39,772). Results: Small but significant mediating effects (2%-8% of relationships mediated) were observed between PM2.5abs exposure and dementia risk by reduced total brain volume, NOx and Alzheimer’s disease risk by reduced peripheral cortical grey matter, PM2.5abs and vascular dementia risk by reduced peripheral cortical grey matter, PM2.5abs and other dementia risk by reduced total grey matter, and PM10 and other dementia risk by reduced total grey matter. …”
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Experimental and computational approach on the corrosion inhibition properties of two newly pyrazole derivatives on carbon steel in acid medium by Nawal Setti, Asma Barrahi, Mohamed Maatallah, Yassine Kaddouri, Taibi Ben Hadda, Halima Outada, Abhinay Thakur, Rachid Touzani, Khalid Karrouchi, Hatem A. Abuelizz, Burak Dikici, Abdelkader Zarrouk, Ali Dafali

“…The DFT calculations and Monte Carlo/Molecular dynamic (MC/MD) simulations were treated and discussed for both compounds Tetra-Pz-Ortho and Tetra-Pz-Para in order to explain their interfacial approach and compared them to experimental results. …”
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In vivo pharmacokinetic and pharmacodynamic study and cutoff of florfenicol against Riemerella anatipestifer in ducks by Hui-Lin Zhang, Fa-Lei Li, Hui-Yang Chen, Ding-Mei Qin, Shu-Jun Sun, Meng-Meng Zhang, Huan-Zhong Ding, Yong Liu

“…Both the values of COWT derived from the ECOFFinder program and the COPD based on a 10,000-subject Monte Carlo simulation of FF against R. anatipestifer were 1 μg/mL, confirming that infections caused by strains with MIC ≤ 1 μg/mL could be effectively treated. …”
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Performance of RIS-Secured Short-Packet NOMA Systems With Discrete Phase-Shifter to Protect Digital Content and Copyright Against Untrusted User by Nguyen Quang Sang, Hye-Young Kim, Tan N. Nguyen, Minh Bui Vu, Phuong T. Tran, Tran Trung Duy, Byung-Seo Kim, Miroslav Voznak

“…Moreover, we further develop asymptotic expressions for both cases to measure the diversity gain and induce key parameters. Subsequently, Monte Carlo simulations are provided as a benchmark to corroborate the theoretical findings. …”
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Cancer phylogenetic tree inference at scale from 1000s of single cell genomes by Salehi, Sohrab, Dorri, Fatemeh, Chern, Kevin, Kabeer, Farhia, Rusk, Nicole, Funnell, Tyler, Williams, Marc J., Lai, Daniel, Andronescu, Mirela, Campbell, Kieran R., McPherson, Andrew, Aparicio, Samuel, Roth, Andrew, Shah, Sohrab P., Bouchard-Côté, Alexandre

“…The sitka transformation allows us to design novel scalable Markov chain Monte Carlo (MCMC) algorithms. Moreover, we introduce a novel point mutation calling method that incorporates the CN data and the underlying phylogenetic tree to overcome the low per-cell coverage of scWGS. …”
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Targeted reproductive management for lactating Holstein cows: Economic return by Ricardo C. Chebel, Tomas Gonzalez, Ana B. Montevecchio, Klibs N. Galvão, Albert de Vries, Rafael S. Bisinotto

“…. $2,953.8 ± $45.2). According to a Monte Carlo stochastic simulation, the mean (±SD) difference in gross profit was $87.8 ± 12.6/cow in favor of the TRM treatment, and 95% of the scenarios ranged from $67.2/cow to $108.5/cow (minimum = $30.2/cow, maximum = $141.1/cow). …”
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Polymorphic variants of the genes for enzymes of the antioxidant system, apoptosis and inflammation as potential predictors of myocardial infarction by T. R. Nasibullin, V. V. Erdman, Y. R. Timasheva, I. A. Tuktarova, A. A. Petinseva, G. F. Korytina

“…The logistic regression analysis with various models demonstrated associations with MI of polymorphic variants of the genes CX3CR1 (rs3732378) (overdominant model – G/G + A/A vs A/G P = 0.0002, OR = 1.9), MSRA (rs10098474) (dominant model – T/T vs T/C + C/C P = 0.015, OR = 1.51), CCL2 (rs1024611) (recessive model – P = 0.0007 – A/A + A/G vs G/G OR = 2.63), BCL2 (rs12454712) (log-additive model – *C allele, P = 0.005, OR = 1.38). Using the Monte Carlo method and Markov chains (APSampler), combinations of alleles/ genotypes of the studied polymorphic loci associated with a high risk of MI were obtained, which, in addition to those identified during single-locus analysis, contained polymorphic variants of the genes CASP8, TP53, CAT, PON2, CRP, IL6, GSTP1. …”
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Forest Fire Clustering: A Novel Tool for Identifying Star Members of Clusters by Xingyin Wei, Jing Chen, Su Zhang, Feilong He, Yunbo Zhao, Xuran He, Yongjie Fang, Xinhao Chen, Hao Yang

“…FFC combines iterative label propagation with parallel Monte Carlo simulation to achieve internal validation of clustering results. …”
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Community-based HPV self-collection versus visual inspection with acetic acid in Uganda: a cost-effectiveness analysis of the ASPIRE trial by Joel Singer, Angeli Rawat, Heather Armstrong, Josaphat Byamugisha, Gina S Ogilvie, Alex K Mezei, Heather N Pedersen, Stephen Sy, Catherine Regan, Sheona M Mitchell-Foster, Musa Sekikubo, Jane J Kim, Nicole G Campos

“…In both arms, VIA was performed at the local health unit by midwives with VIA-positive women receiving immediate treatment with cryotherapy.Design We informed a Monte Carlo simulation model of HPV infection and cervical cancer with screening uptake, compliance and retrospective cost data from the ASPIRE trial; additional cost, test performance and treatment effectiveness data were drawn from observational studies. …”
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Model-Based Variation-Aware Optimization for Offset Calibration and Pre-Sensing in DRAM Sense Amplifiers by Dongyeong Kim, Geon Kim, Suyeon Kim, Jewon Park, Sinwook Kim, Hyeona Seo, Chaehyuk Lim, Sowon Kim, Juwon Lee, Jeonghyeon Yun, Hyerin Lee, Jinseok Park, Yongbok Lee, Seungchan Lee, Myoungjin Lee

“…While HSPICE simulations combining Monte Carlo (MC) and binary search methods require numerous iterations for single design point verification, our model significantly reduces design time by effectively narrowing the region of interest through pre-optimization using statistical characteristics. …”
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