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Beyond the Vibrational Stark Effect: Unraveling the Large Redshifts of Alkyne C–H Bond in Solvation Environments

Journal of the American Chemical Society Chu Zheng, Yuezhi Mao, Thomas E. Markland et al. Feb 19, 2025 DOI: 10.1021/jacs.4c18102

Author Correction: Optimization of process parameters of catalytic pyrolysis using natural zeolite and synthetic zeolites on yield of plastic oil through response surface methodology

Scientific Reports Pitchaiah Sudalaimuthu, Usman Ali, Ravishankar Sathyamurthy Feb 19, 2025 DOI: 10.1038/s41598-025-88771-1

Bio-orthogonal Labeling of Chitin in Native Pathogenic Candida Species via the Chitin Scavenge Pathway

Journal of the American Chemical Society Caroline Williams, Bella R. Carnahan, Stephen N. Hyland et al. Feb 19, 2025 DOI: 10.1021/jacs.4c11554

Publisher Correction: Repurposing raltegravir for reducing inflammation and treating cancer: a bioinformatics analysis

Scientific Reports Zahra Nikfarjam, Reza Rakhshi, Farshid Zargari et al. Feb 19, 2025 DOI: 10.1038/s41598-025-90717-6

Three-Dimensional Covalent Organic Frameworks with lil Topology

Journal of the American Chemical Society Xinyu Wu, Hanwen Wang, Ning Huang Feb 19, 2025 DOI: 10.1021/jacs.4c16422

Information seeking and the expected utility of information about COVID-19 can be associated with uncertainty and related attitudes

Scientific Reports Nathan T. Torunsky, Kara Kedrick, Iris Vilares Feb 19, 2025 DOI: 10.1038/s41598-025-89781-9

Self-Assembled Monolayers of Triazolylidenes on Gold and Mixed Gold/Dielectric Substrates

Journal of the American Chemical Society Dana A.R. Nanan, Justin T. Lomax, Jordan Bentley et al. Feb 19, 2025 DOI: 10.1021/jacs.4c11125

Development of a new hybrid model to enhance streamflow estimation using artificial neural network and reptile search algorithm

Scientific Reports Mohammad Javad Bahmani, Zahra Kayhomayoon, Sami Ghordoyee Milan et al. Feb 19, 2025 DOI: 10.1038/s41598-025-90550-x

Abstract A new metaheuristic optimizer combined with artificial neural networks is proposed for streamflow prediction. Hence, the study aimed to forecast monthly streamflow of the main rivers in Urmia, Iran, by considering data shortage and using artificial neural network (ANN) models. By combining three variables: temperature, precipitation, and streamflow, we formulated five patterns, where 70% of the data were used for model training, and 30% for model testing. To improve the performance of ANN, we evaluated a new optimization algorithm, reptile search algorithm (RSA), and compared the results with combinations of ANN, particle swarm optimization algorithm (PSO), and whale optimization algorithm (WOA) models. The results of the ANN + RSA were promising at most stations and patterns. At Band station streamflow simulation testing gave RMSE, MAE, and NSE of 1.65, 1.21 MCM/month, and 0.80, respectively. At Babaroud station they were 4.01, 3.0 MCM/month and 0.68, respectively, at Nazlo station 5.62, 3.79 MCM/month, and 0.69, respectively, and at Tapik station 5.69, 3.82 MCM/month, and 0.59, respectively. However, the results of the ANN + PSO hybrid model were better than ANN + RSA. The impact of different parameters on the accuracy of streamflow prediction varied depending on model and streamflow station, indicating that the models do not perform consistently across different locations, times, and conditions. The inclusion of lagged monthly streamflow in the model was an influential input parameter. The results demonstrated that the new algorithm consistently improved predictions, enhancing the performance of traditional algorithms. The findings of this study highlight advantage of the ANN + RSA hybrid model for specific areas, suggesting its potential application in other similar hydrological problems for further validation.

A Holistic Data-Driven Approach to Synthesis Predictions of Colloidal Nanocrystal Shapes

Journal of the American Chemical Society Ludovic Zaza, Bojana Ranković, Philippe Schwaller et al. Feb 19, 2025 DOI: 10.1021/jacs.4c17283

Establishment of an experimental model of canine apocrine gland anal sac adenocarcinoma organoid culture using a three-dimensional culture method

Scientific Reports Yuko Nagashima, Haru Yamamoto, Mohamed Elbadawy et al. Feb 19, 2025 DOI: 10.1038/s41598-025-90623-x

Fluorination: Simple Change but Complex Impact on Ferroelectric Nematic and Smectic Liquid Crystal Phases

Journal of the American Chemical Society Grant J. Strachan, Ewa Górecka, Jordan Hobbs et al. Feb 19, 2025 DOI: 10.1021/jacs.4c16802

Semantic segmentation feature fusion network based on transformer

Scientific Reports Tianping Li, Zhaotong Cui, Hua Zhang Feb 19, 2025 DOI: 10.1038/s41598-025-90518-x

Reversible Angle Distortion-Dependent Electrochemical CO<sub>2</sub> Reduction on Cobalt Phthalocyanine

Journal of the American Chemical Society Bingbao Mei, Jianing Mao, Zhaofeng Liang et al. Feb 19, 2025 DOI: 10.1021/jacs.4c14409

Prediction criterion of the interaction between hydraulic fractures and bedding planes via theoretical and simulation approaches

Scientific Reports Xiaoxi Men, Yu Zhang, Di Zuo Feb 19, 2025 DOI: 10.1038/s41598-025-90422-4

Measuring the evolution of entanglement in Compton scattering

Scientific Reports Igor Tkachev, Sultan Musin, Dzhonrid Abdurashitov et al. Feb 19, 2025 DOI: 10.1038/s41598-025-87095-4

Cycles

Nature Kevin Eric Paul Feb 19, 2025 DOI: 10.1038/d41586-025-00519-z

Activating the Basal Plane of 2D Transition Metal Dichalcogenides via High-Entropy Alloying

Journal of the American Chemical Society Mohammad Amin Akhound, Karsten Wedel Jacobsen, Kristian Sommer Thygesen Feb 19, 2025 DOI: 10.1021/jacs.4c13863

Association of arachnoid fossae and endocranial lesions in a historical population from Poland: new diagnostic possibilities

Scientific Reports Joanna Wysocka, Erin Riley, Agata Cieślik Feb 19, 2025 DOI: 10.1038/s41598-025-89939-5

Abstract This study examines the arachnoid fossae (AF) in crania from early modern Wrocław, Poland, and their connection to endocranial lesions, specifically abnormal blood vessel impressions (ABVI) and periosteal appositions of the dura mater (PADM). AF are fovea on the inner surface of the cranial bone, which arise as the result of arachnoid granulations’ (AG) protruding and causing the resorption of the bone. ABVI and PADM are non-specific pathological lesions caused by inflammation and hemorrhages in the meninges. The goal of the study is to determine if the size of AF is associated with the occurrence of endocranial lesions (ABVI and PADM), whether they can aid in diagnosing pathological conditions in historical populations, and to propose a measurement methodology. Using an endoscopic device, the study analyzed 80 adult crania from a collection in Wrocław, Poland. The size of AF was measured using scaled photographs, and the occurrence and severity of ABVI and PADM were also documented. The study then investigated the relationship between the size of AF and the presence of ABVI and PADM. It was determined that the individuals with ABVI had greater AF than those without the lesions. The results indicate that while the presence of AF can be considered a normal cranial variation, their size may be useful in diagnosing pathological conditions in the meninges, such as trauma, tumors, or infectious diseases.

Unravelling Size-Dependent Upconversion Luminescence in Ytterbium and Erbium Codoped NaYF<sub>4</sub> Nanocrystals

Journal of the American Chemical Society Xingxu Liu, Langping Tu, Feng Li et al. Feb 19, 2025 DOI: 10.1021/jacs.4c15683

High risk of political bias in black box emotion inference models

Scientific Reports Hubert Plisiecki, Paweł Lenartowicz, Maria Flakus et al. Feb 19, 2025 DOI: 10.1038/s41598-025-86766-6

Abstract This paper investigates the presence of political bias in emotion inference models used for sentiment analysis (SA). Machine learning models often reflect biases in their training data, impacting the validity of their outcomes. While previous research has highlighted gender and race biases, our study focuses on political bias—an underexplored, pervasive issue that can skew the interpretation of text data across many studies. We audit a Polish sentiment analysis model developed in our lab for bias. By analyzing valence predictions for names and sentences involving Polish politicians, we uncovered systematic differences influenced by political affiliations. Our findings suggest that annotations by human raters propagate political biases into the model’s predictions. To prove it, we pruned the training dataset of texts mentioning these politicians and observed a reduction in bias, though not its complete elimination. Given the significant implications of political bias in SA, our study emphasizes caution in employing these models for social science research. We recommend a critical examination of SA results and propose using lexicon-based systems as an ideologically neutral alternative. This paper underscores the necessity for ongoing scrutiny and methodological adjustments to ensure the reliability of the use of machine learning in academic and applied contexts.