bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu4 cluster
Authors: Claveria-Cádiz Francisca , Kuznetsov Aleksey E. 
Published: March 2023

Abstract
Metal-organic frameworks (MOFs) are tunable porous network compounds composed of inorganic nodes bound by various organic linkers. Here we report the density functional theory (DFT) study of the MOF novel building blocks made of the Cu4 clusters protected by four organic ligands having two phenyl rings and terminated either with Cl or Br atom (precursors 1 and 2, respectively). The research was performed both in the gas phase and with the implicit effects of acetonitrile included, with two functionals, B3LYP and PBE, both with and without the second-order dispersion correction. We analyzed the structural features of the precursors 1 and 2, their electronic structures, molecular electrostatic potential (MEP) distribution, and global reactivity parameters (GRPs). Both functionals resulted in the singlets of the precursors 1 and 2 as the most stable species. The precursor structures optimized with the hybrid functional were found to be quite similar for both halogens, both containing somewhat distorted from planarity Cu4 cluster, with the outer phenyls of the ligands rotated relative to the inner phenyls. With both halogens and both DFT approaches, the frontier molecular orbitals (FMOs) of the precursors 1 and 2 were shown to have quite similar compositions. The change of the substituent from Br to Cl was found to cause slight stabilizations or destabilizations of the HOMOs and LUMOs. The central parts and especially the inner phenyl ring parts of the precursors 1 and 2 were suggested to play a role of nucleophile in various chemical reactions due to the significant accumulation of negative electrostatic potential. Also, weak intermolecular interactions might exist between the ligands of neighboring precursor molecules. Finally, with both substituents the precursors 1 and 2 should be relatively unreactive and demonstrate thermodynamic stability. Further, the precursors 1 and 2 should be quite stable in oxidation reactions and more active in reduction processes. Generally, the substituent nature was shown not to affect significantly the reactivity of the precursors 1 and 2, as well as their other properties.
Cerebellar Excitability Regulates Physical Fatigue Perception
Authors: Casamento-Moran Agostina , Mooney Ronan A. , Chib Vikram S. , Celnik Pablo A. 
Published: March 2023

Fatigue is the subjective sensation of weariness, increased sense of effort, or exhaustion and is pervasive in neurologic illnesses. Despite its prevalence, we have a limited understanding of the neurophysiological mechanisms underlying fatigue. The cerebellum, known for its role in motor control and learning, is also involved in perceptual processes. However, the role of the cerebellum in fatigue remains largely unexplored. We performed two experiments to examine whether cerebellar excitability is affected after a fatiguing task and its association with fatigue. Using a crossover design, we assessed cerebellar inhibition (CBI) and perception of fatigue in humans before and after “fatigue” and “control” tasks. Thirty-three participants (16 males, 17 females) performed five isometric pinch trials with their thumb and index finger at 80% maximum voluntary capacity (MVC) until failure (force <40% MVC; fatigue) or at 5% MVC for 30 s (control). We found that reduced CBI after the fatigue task correlated with a milder perception of fatigue. In a follow-up experiment, we investigated the behavioral consequences of reduced CBI after fatigue. We measured CBI, perception of fatigue, and performance during a ballistic goal-directed task before and after the same fatigue and control tasks. We replicated the observation that reduced CBI after the fatigue task correlated with a milder perception of fatigue and found that greater endpoint variability after the fatigue task correlated with reduced CBI. The proportional relation between cerebellar excitability and fatigue indicates a role of the cerebellum in the perception of fatigue, which might come at the expense of motor control.SIGNIFICANCE STATEMENTFatigue is one of the most common and debilitating symptoms in neurologic, neuropsychiatric, and chronic illnesses. Despite its epidemiological importance, there is a limited understanding of the neurophysiological mechanisms underlying fatigue. In a series of experiments, we demonstrate that decreased cerebellar excitability relates to lesser physical fatigue perception and worse motor control. These results showcase the role of the cerebellum in fatigue regulation and suggest that fatigue- and performance-related processes might compete for cerebellar resources.
Inhibition of ATP synthase reverse activity restores energy homeostasis in mitochondrial pathologies
Authors: Acin‐Perez Rebeca , Benincá Cristiane , Fernandez del Rio Lucia , Shu Cynthia , Baghdasarian Siyouneh , Zanette Vanessa , Gerle Christoph , Jiko Chimari , Khairallah Ramzi , Khan Shaharyar , Rincon Fernandez Pacheco David , Shabane Byourak , Erion Karel , Masand Ruchi , Dugar Sundeep , Ghenoiu Cristina , Schreiner George , Stiles Linsey , Liesa Marc , Shirihai Orian S 
Published: March 2023

AbstractThe maintenance of cellular function relies on the close regulation of adenosine triphosphate (ATP) synthesis and hydrolysis. ATP hydrolysis by mitochondrial ATP Synthase (CV) is induced by loss of proton motive force and inhibited by the mitochondrial protein ATPase inhibitor (ATPIF1). The extent of CV hydrolytic activity and its impact on cellular energetics remains unknown due to the lack of selective hydrolysis inhibitors of CV. We find that CV hydrolytic activity takes place in coupled intact mitochondria and is increased by respiratory chain defects. We identified (+)‐Epicatechin as a selective inhibitor of ATP hydrolysis that binds CV while preventing the binding of ATPIF1. In cells with Complex‐III deficiency, we show that inhibition of CV hydrolytic activity by (+)‐Epichatechin is sufficient to restore ATP content without restoring respiratory function. Inhibition of CV–ATP hydrolysis in a mouse model of Duchenne Muscular Dystrophy is sufficient to improve muscle force without any increase in mitochondrial content. We conclude that the impact of compromised mitochondrial respiration can be lessened using hydrolysis‐selective inhibitors of CV.
Lobectomy and completion thyroidectomy rates increase after the 2015 American Thyroid Association Differentiated Thyroid Cancer Guidelines update
Authors: Worrall Benjamin J , Papachristos Alexander , Aniss Ahmad , Glover Anthony , Sidhu Stan B , Clifton-Bligh Roderick J , Learoyd Diana , Tsang Venessa H M , Gild Matti , Robinson Bruce G , Sywak Mark S 
Published: March 2023

Background
The 2015 American Thyroid Association (ATA) Guidelines permit thyroid lobectomy (TL) or total thyroidectomy in the management of low-risk papillary thyroid cancer (PTC). As definitive risk-stratification is only possible post-operatively, some patients may require completion thyroidectomy (CT) after final histopathological analysis.

Methods
A retrospective cohort study of patients undergoing surgery for low-risk PTC in a tertiary referral centre was undertaken. Consecutive adult patients treated from January 2013 to March 2021 were divided into two groups (pre- and post-publication of ATA Guidelines on 01/01/2016). Only those eligible for lobectomy under rule 35(B) of the ATA Guidelines were included: Bethesda V/VI cytology, 1–4 cm post-operative size and without pre-operative evidence of extrathyroidal extension or nodal metastases. We examined rates of TL, CT, local recurrence and surgical complications.

Results
There were 1488 primary surgical procedures performed for PTC on consecutive adult patients during the study period, of which 461 were eligible for TL. Mean tumour size (P = 0.20) and mean age (P = 0.78) were similar between time periods. The TL rate increased significantly from 4.5 to 18% in the post-publication period (P < 0.001). The proportion of TL patients requiring CT (43 vs 38%) was similar between groups (P = 1.0). There was no significant change in complications (P = 0.55) or local recurrence rates (P = 0.24).

Conclusion
The introduction of the 2015 ATA Guidelines resulted in a modest but significant increase in the rate of lobectomy for eligible PTC patients. In the post-publication period, 38% of patients who underwent TL ultimately required CT after complete pathological analysis.
Field Application of Ethanolic and Aqueous Chili Extracts to Control Diamondback Moth (Plutella Xylostella L.) in Cabbage (Brassica Oleracea Var. Capitata L.)
Authors: Fukatine Tony , Wanio Wendy , Tarue Rudolph , Navus Peter , Iamba Kari 
Published: March 2023

The Diamondback moth, Plutella xylostella (Lepidoptera: Plutellidae) is an economic oligophagous pest that feeds on the members of the Brassicaceae family. Cabbage as one of the brassicas is mostly targeted by the larvae of P. xylostella in tropical countries including Papua New Guinea (PNG). Attempts to control this pest continue to be a challenge for farmers since it is now resistant to commonly used synthetic insecticides. Chili (Capsicum frutescens L.) in particular is an insecticidal plant that has been proven to reduce the impact of pests including P. xylostella. Previous studies have focused on the extraction of chili phytochemicals with ethanol as an extraction solvent (tincture). The current study experimentally tested the potential of hot water chili extract. Tincture chili extract was relatively more effective than hot water extract against P. xylostella. The current study further confirms that the absence of chili extracts in dry conditions enhances the recruitment of the pest, P. xylostella. Furthermore, the tincture extract was also capable of withstanding rainy days due to its adhesive phytochemicals.

Keywords: Plutella xylostella, tincture, hotwater, rainfall, relative humidity
Occupational Noise-Induced Tinnitus: A Review of Auditory Behavioral and Electrophysiological Evaluations
Authors: Kohansal Behieh , Asghari Mehdi , Habibi Mahsa 
Published: March 2023

Background and Aim: The increasing prevalence of Noise-Induced Tinnitus (NIT) is considered one of the major occupational health threats these days. Despite the devastating effect of tinnitus on a subject’s performance, auditory functions and life quality, there is a lack of standard protocol for its diagnosis and management. Furthermore, the mechanisms of NIT are not clear yet. So, this review summarized data on NIT mechanisms as well as questionnaires, behavioral and physiologic assessment tools in NIT studies.
Recent Findings: Based on the authors’ research, 27 eligible articles were included in this review. NIT was mainly bilateral with moderate severity with an overall prevalence ranging from 4% to 73.7%. Self-report questionnaires, tinnitus handicap inventory, auditory brainstem response, otoacoustic emissions and speech in noise tests were the most frequent NIT assessment methods in the reviewed studies. Our review highlights increased latencies in brainstem evoked potentials in tinnitus workers, but the knowledge gap about changes at subcortical and cortical levels remains.
Conclusion: This review suggests speech in noise test as a useful extension to routine tinnitus assessment by questionnaires among workers. Due to insufficient studies and inconsistent results in NIT subjects, more electrophysiological research is suggested in large and homogeneous samples.
Keywords: Noise; tinnitus; occupational; questionnaire; physiological
First Report of Natural Infection of Phlebotomus mongolensis to Leishmania major and Leishmania turanica in the Endemic Foci of Zoonotic Cutaneous Leishmaniasis in Iran
Authors: Absavaran Azad , Mohebali Mehdi , Moin-Vaziri Vahideh , Zahraei-Ramazani Alireza , Akhavan Amir Ahmad , Rafizadeh Sayena , Rassi Amirhossin , Barmaki Alireza , Rassi Yavar 
Published: March 2023

Background: The primary aim of this study is to determine infection to Leishmania parasites in the wild population of Phlebotomus caucasicus and Phlebotomus mongolensis using molecular methods in some important zoonotic cutaneous leishmaniasis foci in Iran.
Methods: Sand flies were collected from active colonies of rodent burrows from 16 trapping sites using sticky trap pa­per. In order to detect and identify of Leishmania parasites in females Ph. caucasicus and Ph. mongolensis, the Nested–PCR amplification of ITS2-rDNA region was performed to generate amplicon with 245bp for Leishmania major, 206bp for L. gerbilli and 141bp for L. turanica.
Results: In the current study we found DNA of different gerbil parasites such as L. major and L. turanica, and mixed infection of L. major/L. turanica in Ph. caucasicus and Ph. mongolensis. It should be noted that, in Iran, natural infec­tion with Leishmania parasites is recorded for the first time in this study in Ph. mongolensis.
Conclusion: Both species of Ph. caucasicus and Ph. mongolensis not only may participate in the ZCL transmission cycle between reservoir hosts, but also results of this study support the role of these species as secondary vectors in the transmission of leishmaniasis to humans.
EFETIVIDADE DE CRANBERRY NA PREVENÇÃO DE INFECÇÕES DO TRATO URINÁRIO : MITO OU VERDADE
Authors: Zanin Elaine Micheli 
Published: March 2023

Infecções do trato urinário (ITUs) são cada vez mais frequentes e se tornaram um problema de saúde pública atualmente, que acarreta gastos enormes , risco da automedicação e recorrência em casos mais específicos ou não devido ao tratamento inadequado. Além disso, a procura por alternativas que consiga reduzir o uso de antibioticoterapia e consequentemente os efeitos adversos que acompanha esta opção terapêutica vem crescendo.O Cranberry vem sendo investigado pelo seu uso como coadjuvante na terapia. Cranberry é uma fruta rica em proantocianidinas que reduz a adesão de certas bactérias a parede da bexiga, mostrando-se um aliado importantíssimo. Porém, existe poucos trabalhos sobre cranberry, e os mesmo são controversos. Uma parte destes trabalhos relata que cranberry pode ser um aliado no tratamento e prevenção, já outros afirmam em partes que cranberry é viável como terapia alternativa, em outras relatam que cranberry não tem sua eficácia comprovada e ainda outros dizem que cranberry não tem efetividade alguma.Muitos estudos ainda são necessários para avaliar se cranberry realmente possui uma efetividade sobre ITUs, mas segundo os artigos revisados o cranberry pode ser um aliado tanto no tratamento e na prevenção das ITUs,viabilizando o tratamento, diminuindo a automedicação, os efeitos colaterais comuns na antibioticoterapia e os consequentes gastos.Palavras chave: infecções, cranberry, prevenção
Prevalência e fatores associados ao ganho de peso excessivo em gestantes acompanhadas pelo Sistema Único de Saúde em um município de Pernambuco
Authors: Da Silva Daniely Lizândra , Costa Santiago Emerson Rogério , Vasconcelos Sodré Neves Jorge Marcelo , De Moura Santos Sena Mikaella , Souza Oliveira Juliana , Da Silva Diniz Alcides 
Published: March 2023

Este estudo teve como objetivo estimar a prevalência e identificar os fatores associados ao ganho ponderal inadequado durante a gestação nas Unidades de Saúde do Município de Chã Grande – PE. Trata-se de um estudo de delineamento transversal com amostra representativa das unidades de saúde das zonas urbana e rural da cidade. Foram coletados dados antropométricos, sociodemográficos e de estilo de vida. Adicionalmente, aplicou-se uma escala de conhecimento nutricional e uma escala para rastreio da ansiedade e depressão. As análises foram feitas por meio da Regressão de Poisson com ajuste robusto da variância, sendo considerado um nível de significância de 5% no modelo final. A amostra final foi de 188 gestantes, sendo evidenciada prevalência de ganho de peso excessivo de 62,8% (IC95% 55,4 – 69,7). O modelo de regressão de Poisson, com variância robusta, mostrou que o ganho ponderal excessivo durante a gestação se associou à maior escolaridade, ao excesso de peso pré-gestacional, a um menor número de consultas do pré-natal, ao não pensamento em abortar e à falta do acompanhamento nutricional. Assim, os resultados chamam atenção para a necessidade de monitoramento do ganho de peso durante a gestação com a prevenção e o controle dos fatores de risco modificáveis.
The methods of psychological confrontation adopted by parents to reduce their fears of the spread of Coronavirus among children in Jordan
Authors: Alelaimat Ali , Almohtadi Reham , Almazaydeh Laiali 
Published: March 2023

During the Coronavirus outbreak, all schools shifted from delivering conventional education to to distance education. Thus, students received their education at home through using technology. During this crisis, there was great fear among students and parents from getting infected with the Coronavirus. Therefore, the current study examined the psychological confrontation methods used by parents to reduce their fears of having their children infected with the Coronavirus in Jordan. The researchers adopted the survey-based descriptive approach. The sample consists of four hundred and seventy-three (473) mothers and fathers who were randomly selected from Jordan. Online survey was used to obtain data from them. After the use of the SPSS program, the researchers found that the level of the parents’ fear of having their children infected with COVID 19 virus is high. It was found that the measure carried out the most by parents for avoiding the infection of their sons and daughters with the virus is represented in following the guidelines and preventive measures issued by healthcare organizations. In addition, the researchers found that there isn’t any statistically significant difference between the respondents in terms of the used psychological confrontation methods which can be attributed to the age of son/daughter nor respondents` academic qualification. However, it was found that there are statistically significant differences in this regard which can be attributed to the respondents` age and the province they reside at. The latter differences are for the favor of the ones whose ages range between (20 – 30) years. They are also for the favor of the ones residing in the Central and Northern Provinces of Jordan.
Keywords: Coronavirus; Psychological confrontation; Survey-based approach
Analysis of Key Sweetspot Identification Methods and Their Significance for Hydrocarbon Well Placement
Authors: Al-Ismael Menhal Abdulbaqi , Al-Baiz Abdulaziz Muhammad 
Published: March 2023

AbstractSweetspot identification methods are of significant value in optimizing well placement in reservoir simulation studies. These methods vary in their approaches due to the wide-ranging reservoir characteristics and different study objectives. This work analyzes a number of sweetspot identification methods and discusses their advantages and limitations. In addition, we establish a workflow that utilizes a combination of a number of reliable methods. A simulation model of a synthetic heterogeneous reservoir with six million grid-cells is used in this work to evaluate six sweetspot identification methods for the purpose of well placement. The evaluated methods use grid-cell productivity, fluxes and sweep ratio as well as a combination of a number of rock and fluid properties to generate sweetspot 3D maps. Using sweetspot maps from the analyzed methods and the proposed workflow, different well placement scenarios are developed and compared. Results are compared using total hydrocarbon production and voidage replacement ratio. We observe that wells placed using grid-cell productivity maps achieve significant improvement in the total hydrocarbon production over a period of ten years when compared to the other analyzed methods. This method identifies the high productive grid-cells which results in the best performance of wells among the analyzed methods. However, this method provided less emphasis on the grid-cells proximity and connectivity in the sweetspot map. In heterogeneous reservoirs, this can result in tortuous trajectory paths, which are impractical to drill. The flux-based method yielded less hydrocarbon production, but higher voidage replacement ratio. The proposed workflow demonstrated considerable improvements in the total oil production and a balance in voidage replacement ratio. The new workflow retained the advantages of different methods maintaining a balance between their strengths and marking distinct methodology that can be used for well placement optimization. This work highlights potential opportunities to improve the sweep efficiency in heterogeneous reservoirs by developing a hybrid workflow that integrates existing tools and methodologies.
Application of Deep Learning in First-Break Picking of Shallow OBN Data
Authors: Wang Wei , Liu Jiangtao , Lyu Xiaolin , Hu Xin , Li Yifan , Rouis Lamia , Khdhaouria Mourad , Rondon Aldrin 
Published: March 2023

AbstractSummaryAs well known, the modeling of the near-surface from first-break plays a significant role on the sub-surface imaging, reservoir characterization, and monitoring. Small errors in first-break picking can greatly impact the seismic velocity model building, so it is necessary to pick high-quality travel times. Geoscientists from around the world continues trying their best to address the near-surface challenges. Due to the rapid development of high-efficiency acquisition technique, such as WBH (wide-azimuth, broadband and high-density) acquisition technique and blended source acquisition technique, the quantity of seismic data, especially 3D seismic exploration, has leapt from GB to TB(some to PB), which sets a big challenge for first-break picking. Traditional first-break picking methods can't meet the production. In recent years, with the development of computer capacity and algorithm, artificial intelligence has changed our lives in many ways. In seismic exploration, artificial intelligence, like deep learning, has played a more and more important role now, from fault prediction, attribute identification to velocity and first break picking. Generally, deep learning is a new neural network which has multiple hidden layers, mostly over 3 layers, compared with traditional neural network. Deep learning includes Deep Belief Network (DBN), Convolutional Neural Network (CNN), Recurrent Neural Network (RNN) and so on. In this paper, Convolutional Neural Network (CNN) and Recurrent Neural Network (RNN) have been combined for first-break picking in a large 3D OBN project of Caspian Sea. A high precision near seabed velocity model is built based on the auto-picked first break with tomography inversion, which provides a good solution for static problem of the survey.