keyword
https://read.qxmd.com/read/38631107/apprehensions-and-emerging-solutions-in-ml-based-protein-structure-prediction
#1
REVIEW
Käthe M Dahlström, Tiina A Salminen
The three-dimensional structure of proteins determines their function in vital biological processes. Thus, when the structure is known, the molecular mechanism of protein function can be understood in more detail and obtained information utilized in biotechnological, diagnostics, and therapeutic applications. Over the past five years, machine learning (ML)-based modeling has pushed protein structure prediction to the next level with AlphaFold in the front line, predicting the structure for hundreds of millions of proteins...
April 16, 2024: Current Opinion in Structural Biology
https://read.qxmd.com/read/38630729/short-term-forecasting-approach-of-single-well-production-based-on-multi-intelligent-agent-hybrid-model
#2
JOURNAL ARTICLE
Hua Yan, Ming Liu, Bin Yang, Yang Yang, Hu Ni, Haoyu Wang
The short-term prediction of single well production can provide direct data support for timely guiding the optimization and adjustment of oil well production parameters and studying and judging oil well production conditions. In view of the coupling effect of complex factors on the daily output of a single well, a short-term prediction method based on a multi-agent hybrid model is proposed, and a short-term prediction process of single well output is constructed. First, CEEMDAN method is used to decompose and reconstruct the original data set, and the sliding window method is used to compose the data set with the obtained components...
2024: PloS One
https://read.qxmd.com/read/38627089/two-prediction-error-systems-in-the-nonlemniscal-inferior-colliculus-spectral-and-non-spectral
#3
JOURNAL ARTICLE
Guillermo V Carbajal, Lorena Casado-Román, Manuel S Malmierca
According to the predictive processing framework, perception emerges from the reciprocal exchange of predictions and prediction errors (PE) between hierarchically organized neural circuits. The nonlemniscal division of the inferior colliculus (IC) is the earliest source of auditory PE signals, but their neuronal generators, properties and functional relevance have remained mostly undefined. We recorded single-unit mismatch responses to auditory oddball stimulation at different intensities, together with activity evoked by two sequences of alternating tones to control frequency-specific effects...
April 16, 2024: Journal of Neuroscience
https://read.qxmd.com/read/38626065/does-disconfirmatory-evidence-shape-safety-and-danger-related-beliefs-of-trauma-exposed-individuals
#4
JOURNAL ARTICLE
Shilat Haim-Nachum, Tobias Kube, Liron Rozenkrantz, Amit Lazarov, Einat Levy-Gigi, Tanja Michael, Yuval Neria, M Roxanne Sopp
Recent accounts of predictive processing in posttraumatic stress disorder (PTSD) suggest that trauma-exposed individuals struggle to update trauma-related hypotheses predicting danger, which may be involved in the etiology and maintenance of this disorder. Initial research supports this account, documenting an association between trauma-exposure, impaired expectation updating, and PTSD symptoms. Yet, no study to date has examined biased belief updating in PTSD using a scenario-based approach. Objective: Here, we examined the predictive processing account among trauma-exposed and non-trauma-exposed individuals using a modified Trauma-Related version of the Bias Against Disconfirmatory Evidence task...
2024: European Journal of Psychotraumatology
https://read.qxmd.com/read/38615600/perception-of-visual-and-audiovisual-trajectories-toward-and-away-from-the-body-in-the-first-postnatal-year
#5
JOURNAL ARTICLE
Giulia Orioli, Danica Dragovic, Teresa Farroni
Perceiving motion in depth is important in everyday life, especially motion in relation to the body. Visual and auditory cues inform us about motion in space when presented in isolation from each other, but the most comprehensive information is obtained through the combination of both of these cues. We traced the development of infants' ability to discriminate between visual motion trajectories across peripersonal space and to match these with auditory cues specifying the same peripersonal motion. We measured 5-month-old (n = 20) and 9-month-old (n = 20) infants' visual preferences for visual motion toward or away from their body (presented simultaneously and side by side) across three conditions: (a) visual displays presented alone, (b) paired with a sound increasing in intensity, and (c) paired with a sound decreasing in intensity...
April 13, 2024: Journal of Experimental Child Psychology
https://read.qxmd.com/read/38598378/multimodal-drug-target-binding-affinity-prediction-using-graph-local-substructure
#6
JOURNAL ARTICLE
Xun Peng, Chunping Ouyang, Yongbin Liu, Ying Yu, Jian Liu, Min Chen
Predicting the binding affinity of drug target is essential to reduce drug development costs and cycles. Recently, several deep learning-based methods have been proposed to utilize the structural or sequential information of drugs and targets to predict the drug-target binding affinity (DTA). However, methods that rely solely on sequence features do not consider hydrogen atom data, which may result in information loss. Graph-based methods may contain information that is not directly related to the prediction process...
April 10, 2024: IEEE Journal of Biomedical and Health Informatics
https://read.qxmd.com/read/38591604/modeling-of-impurities-evaporation-reaction-order-in-aluminum-alloys-by-the-parametric-fitting-of-the-logistic-function
#7
JOURNAL ARTICLE
Aleksandar M Mitrašinović, Jasmina Nešković, Svetlana Polavder, Sandra Petković, Željko Praštalo, Nebojša Labus, Milinko Radosavljević
Advancements in computer capabilities enable predicting process outcomes that earlier could only be assessed after post-process analyses. In aerospace and automotive industries it is important to predict parts properties before their formation from liquid alloys. In this work, the logistic function was used to predict the evaporation rates of the most detrimental impurities, if the temperature of the liquid aluminum alloy was known. Then, parameters of the logistic function were used to determine the transition points where the reaction order was changing...
February 3, 2024: Materials
https://read.qxmd.com/read/38580144/using-milk-mid-infrared-spectroscopy-to-estimate-cow-level-nitrogen-efficiency-metrics
#8
JOURNAL ARTICLE
M Frizzarin, D P Berry, E Tavernier
Minimizing pollution from the dairy sector is paramount; one potential cause of such pollution is excess nitrogen. Nitrogen pollution contributes to a deterioration in water quality as well as an increase in both eutrophication and greenhouse gases. It is therefore essential to minimize the loss of nitrogen from the sector, including excretion from the cow. Breeding programs are one potential strategy to improve the efficiency with which nitrogen is used by dairy cows but relies on routine access to individual cow information on how efficiently each cows uses the nitrogen it ingests...
April 3, 2024: Journal of Dairy Science
https://read.qxmd.com/read/38579906/the-electrophysiology-of-lexical-prediction-of-emoji-and-text
#9
JOURNAL ARTICLE
Benjamin Weissman, Neil Cohn, Darren Tanner
As emoji often appear naturally alongside text in utterances, they provide a way to study how prediction unfolds in multimodal sentences in direct comparison to unimodal sentences. In this experiment, participants (N = 40) read sentences in which the sentence-final noun appeared in either word form or emoji form, a between-subjects manipulation. The experiment featured both high constraint sentences and low constraint sentences to examine how the lexical processing of emoji interacts with prediction processes in sentence comprehension...
April 3, 2024: Neuropsychologia
https://read.qxmd.com/read/38578678/antipsychotic-drugs-selectively-decorrelate-long-range-interactions-in-deep-cortical-layers
#10
JOURNAL ARTICLE
Matthias Heindorf, Georg B Keller
Psychosis is characterized by a diminished ability of the brain to distinguish externally driven activity patterns from self-generated activity patterns. Antipsychotic drugs are a class of small molecules with relatively broad binding affinity for a variety of neuromodulator receptors that, in humans, can prevent or ameliorate psychosis. How these drugs influence the function of cortical circuits, and in particular their ability to distinguish between externally and self-generated activity patterns, is still largely unclear...
April 5, 2024: ELife
https://read.qxmd.com/read/38564237/prior-probability-cues-bias-sensory-encoding-with-increasing-task-exposure
#11
JOURNAL ARTICLE
Kevin Walsh, David P McGovern, Jessica Dully, Simon P Kelly, Redmond G O'Connell
When observers have prior knowledge about the likely outcome of their perceptual decisions, they exhibit robust behavioural biases in reaction time and choice accuracy. Computational modelling typically attributes these effects to strategic adjustments in the criterion amount of evidence required to commit to a choice alternative - usually implemented by a starting point shift - but recent work suggests that expectations may also fundamentally bias the encoding of the sensory evidence itself. Here, we recorded neural activity with EEG while participants performed a contrast discrimination task with valid, invalid, or neutral probabilistic cues across multiple testing sessions...
April 2, 2024: ELife
https://read.qxmd.com/read/38547015/modeling-based-approach-towards-quality-by-design-for-a-telescoped-process
#12
JOURNAL ARTICLE
This Zahnd, Maja Kandziora, Michael K Levis, Andreas Zogg
A telescoped, two-step synthesis was investigated by applying Quality by Design principles. A kinetic model consisting of 12 individual reactions was successfully established to describe the synthesis and side reactions. The resulting model predicts the effects of changes in process parameters on total yield and quality. Contour plots were created by varying process parameters and displaying the model predicted process response. The areas in which the process response fulfils predetermined quality requirements are called design spaces...
March 27, 2024: Chimia
https://read.qxmd.com/read/38543288/development-of-a-semi-mechanistic-modeling-framework-for-wet-bead-milling-of-pharmaceutical-nanosuspensions
#13
JOURNAL ARTICLE
Donald J Clancy, Gulenay Guner, Sayantan Chattoraj, Helen Yao, M Connor Faith, Zahra Salahshoor, Kailey N Martin, Ecevit Bilgili
This study aimed to develop a practical semi-mechanistic modeling framework to predict particle size evolution during wet bead milling of pharmaceutical nanosuspensions over a wide range of process conditions and milling scales. The model incorporates process parameters, formulation parameters, and equipment-specific parameters such as rotor speed, bead type, bead size, bead loading, active pharmaceutical ingredient (API) mass, temperature, API loading, maximum bead volume, blade diameter, distance between blade and wall, and an efficiency parameter...
March 13, 2024: Pharmaceutics
https://read.qxmd.com/read/38540722/increased-nlrp1-mrna-and-protein-expression-suggests-inflammasome-activation-in-the-dorsolateral-prefrontal-and-medial-orbitofrontal-cortex-in-schizophrenia
#14
JOURNAL ARTICLE
Ena Španić Popovački, Dora Vogrinc, Heidi R Fuller, Lea Langer Horvat, Davor Mayer, Janja Kopić, Klara Pintarić, Mirjana Babić Leko, Mihaela Pravica, Željka Krsnik, Darko Marčinko, Marina Šagud, Patrick R Hof, Mihovil Mladinov, Goran Šimić
Schizophrenia is a complex mental condition, with key symptoms marked for diagnosis including delusions, hallucinations, disorganized thinking, reduced emotional expression, and social dysfunction. In the context of major developmental hypotheses of schizophrenia, notably those concerning maternal immune activation and neuroinflammation, we studied NLRP1 expression and content in the postmortem brain tissue of 10 schizophrenia and 10 control subjects. In the medial orbitofrontal cortex (Brodmann's area 11/12) and dorsolateral prefrontal cortex (area 46) from both hemispheres of six schizophrenia subjects, the NLRP1 mRNA expression was significantly higher than in six control brains ( p < 0...
March 4, 2024: Biomolecules
https://read.qxmd.com/read/38524178/construction-and-validation-of-a-machine-learning-model-for-the-diagnosis-of-juvenile-idiopathic-arthritis-based-on-fecal-microbiota
#15
JOURNAL ARTICLE
Jun-Bo Tu, Wei-Jie Liao, Si-Ping Long, Meng-Pan Li, Xing-Hua Gao
PURPOSE: Human gut microbiota has been shown to be significantly associated with various inflammatory diseases. Therefore, this study aimed to develop an excellent auxiliary tool for the diagnosis of juvenile idiopathic arthritis (JIA) based on fecal microbial biomarkers. METHOD: The fecal metagenomic sequencing data associated with JIA were extracted from NCBI, and the sequencing data were transformed into the relative abundance of microorganisms by professional data cleaning (KneadData, Trimmomatic and Bowtie2) and comparison software (Kraken2 and Bracken)...
2024: Frontiers in Cellular and Infection Microbiology
https://read.qxmd.com/read/38515433/optimizing-time-prediction-and-error-classification-in-early-melanoma-detection-using-a-hybrid-rcnn-lstm-model
#16
JOURNAL ARTICLE
K P Arjun, K Sampath Kumar, Rajesh Kumar Dhanaraj, Vinayakumar Ravi, T Ganesh Kumar
Skin cancer is a terrifying disorder that affects all individuals. Due to the significant increase in the rate of melanoma skin cancer, early detection of skin cancer is now more critical than ever before. Malignant melanoma is one of the most serious forms of skin cancer, and it is caused by abnormal melanocyte cell growth. In recent years, skin cancer predictive categorization has become more accurate and predictive due to multiple deep learning algorithms. Malignant melanoma is diagnosed using the Recurrent Convolution Neural Network-Long Short-Term Memory (RCNN-LSTM), which is one of the deep learning classification approaches...
March 22, 2024: Microscopy Research and Technique
https://read.qxmd.com/read/38509135/visualizing-threat-and-trustworthiness-prior-beliefs-in-face-perception-in-high-versus-low-paranoia
#17
JOURNAL ARTICLE
Antonia Bott, Hanna C Steer, Julian L Faße, Tania M Lincoln
Predictive processing accounts of psychosis conceptualize delusions as overly strong learned expectations (prior beliefs) that shape cognition and perception. Paranoia, the most prevalent form of delusions, involves threat prior beliefs that are inherently social. Here, we investigated whether paranoia is related to overly strong threat prior beliefs in face perception. Participants with subclinical levels of high (n = 109) versus low (n = 111) paranoia viewed face stimuli paired with written descriptions of threatening versus trustworthy behaviors, thereby activating their threat versus trustworthiness prior beliefs...
March 20, 2024: Schizophrenia (Heidelb)
https://read.qxmd.com/read/38503356/genetically-predicted-processed-meat-red-meat-intake-and-risk-of-mental-disorders-a-multivariable-mendelian-randomization-analysis
#18
JOURNAL ARTICLE
Mingkun Liu, Wenwen Wang, Yi Chen, Meixiang Guo, Yuanhao Wei, Shaoling Yang, Xiqiao Xiang
BACKGROUND: Previous observational studies have highlighted potential links between the consumption of processed meat and red meat (such as pork, mutton, and beef intake) and the occurrence of mental disorders. However, it is unclear whether a causal association exists. Therefore, we employed the Mendelian randomization (MR) study to investigate the causal effects of genetically predicted processed meat and red meat on mood disorders (MD), anxiety disorders (AD), and major depressive disorder (MDD)...
March 17, 2024: Journal of Affective Disorders
https://read.qxmd.com/read/38502207/post-covid-breathlessness-a-mathematical-model-of-respiratory-processing-in-the-brain
#19
JOURNAL ARTICLE
Dina von Werder, Franziska Regnath, Daniel Schäfer, Rudolf Jörres, Nadine Lehnen, Stefan Glasauer
Breathlessness is among the most common post-COVID symptoms. In a considerable number of patients, severe breathlessness cannot be explained by peripheral organ impairment. Recent concepts have described how such persistent breathlessness could arise from dysfunctional processing of respiratory information in the brain. In this paper, we present a first quantitative and testable mathematical model of how processing of respiratory-related signals could lead to breathlessness perception. The model is based on recent theories that the brain holds an adaptive and dynamic internal representation of a respiratory state that is based on previous experiences and comprises gas exchange between environment, lung and tissue cells...
March 19, 2024: European Archives of Psychiatry and Clinical Neuroscience
https://read.qxmd.com/read/38492085/the-role-of-identity-priming-on-the-unconscious-bodily-self-attribution
#20
JOURNAL ARTICLE
Tommaso Ciorli, Lorenzo Pia
It has been recently demonstrated that hand stimuli presented in a first-, with respect to a third-, person perspective were prioritized before awareness independently from their identity (i.e., self, or other). This pattern would represent an unconscious advantage for self-related bodily stimuli rooted in spatial perspective. To deeper investigate the role of identity, we employed a breaking-Continuous Flash Suppression paradigm in which a self- or other-hand presented in first- or third-person perspective was displayed after a conscious identity-related prime (i...
March 16, 2024: Psychological Research
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