bluuebunny/crossref_metadata_2025_split huggingface dataset:
A representation-independent electronic charge density database for crystalline materials
Authors: Shen Jimmy-Xuan , Munro Jason M. , Horton Matthew K. , Huck Patrick , Dwaraknath Shyam , Persson Kristin A. 
Published: October 2022

AbstractIn addition to being the core quantity in density-functional theory, the charge density can be used in many tertiary analyses in materials sciences from bonding to assigning charge to specific atoms. The charge density is data-rich since it contains information about all the electrons in the system. With the increasing prevalence of machine-learning tools in materials sciences, a data-rich object like the charge density can be utilized in a wide range of applications. The database presented here provides a modern and user-friendly interface for a large and continuously updated collection of charge densities as part of the Materials Project. In addition to the charge density data, we provide the theory and code for changing the representation of the charge density which should enable more advanced machine-learning studies for the broader community.
Tracking blobs in the turbulent edge plasma of a tokamak fusion device
Authors: Han Woonghee , Pietersen Randall A. , Villamor-Lora Rafael , Beveridge Matthew , Offeddu Nicola , Golfinopoulos Theodore , Theiler Christian , Terry James L. , Marmar Earl S. , Drori Iddo 
Published: October 2022

AbstractThe analysis of turbulence in plasmas is fundamental in fusion research. Despite extensive progress in theoretical modeling in the past 15 years, we still lack a complete and consistent understanding of turbulence in magnetic confinement devices, such as tokamaks. Experimental studies are challenging due to the diverse processes that drive the high-speed dynamics of turbulent phenomena. This work presents a novel application of motion tracking to identify and track turbulent filaments in fusion plasmas, called blobs, in a high-frequency video obtained from Gas Puff Imaging diagnostics. We compare four baseline methods (RAFT, Mask R-CNN, GMA, and Flow Walk) trained on synthetic data and then test on synthetic and real-world data obtained from plasmas in the Tokamak à Configuration Variable (TCV). The blob regime identified from an analysis of blob trajectories agrees with state-of-the-art conditional averaging methods for each of the baseline methods employed, giving confidence in the accuracy of these techniques. By making a dataset and benchmark publicly available, we aim to lower the entry barrier to tokamak plasma research, thereby greatly broadening the community of scientists and engineers who might apply their talents to this endeavor.
Identification of volatile organic compounds related to the eating quality of cooked japonica rice
Authors: Lee Yoon Kyung , Jang Su , Koh Hee-Jong 
Published: October 2022

AbstractEating quality (EQ) of rice has a complex nature composed of physicochemical properties. Nevertheless, breeding programs evaluating EQ through sensory test or taste-evaluation instruments have been laborious, time-consuming and inefficient. EQ is affected by both taste and aroma. However, in actual breeding programs, aroma of cooked rice has been considered the least due to lack of information. Here we identified a total of 41 volatile compounds potentially affecting the EQ of non-aromatic, cooked japonica rice, identified by GC–MS, sensory panel test, and Toyo taste-meter analyses. Partial least squares discriminant analysis demonstrated an outstanding classification effect of the identified volatile compounds on eating-quality discrimination. Several volatile compounds related to lipid oxidation and fatty acid degradation were identified to affect the EQ in japonica rice. Of them, 1-octen-3-ol, 1-ethyl-3,5-dimethylbenzene, 2,6,11-trimethyldodecane, 3-ethyloctane, 2,7,10-trimethyldodecane, methyl salicylate, 2-octanone, and heptanal were selected as important compounds. The discriminant model for the classification of the quality of cultivars was robust and accurate, an r-squared value was 0.91, a q squared value was 0.85, and an accuracy was 1.0. Overall, the results of this study characterize EQ of rice cultivars based on volatile compounds, suggesting the application of metabolite profiling data for rice breeding of high eating quality.
Handedness did not affect motor skill acquisition by the dominant hand or interlimb transfer to the non-dominant hand regardless of task complexity level
Authors: Négyesi János , Négyesi Péter , Hortobágyi Tibor , Sun Sai , Kusuyama Joji , Kiss Rita M. , Nagatomi Ryoichi 
Published: October 2022

AbstractPatients undergoing unilateral orthopedic or neurological rehabilitation have different levels of impairments in the right- or left-dominant hand. However, how handedness and the complexity of the motor task affect motor skill acquisition and its interlimb transfer remains unknown. In the present study, participants performed finger key presses on a numeric keypad at 4 levels of sequence complexities with each hand in a randomized order. Furthermore, they also performed motor sequence practice with the dominant hand to determine its effect on accuracy, reaction time, and movement time. The NASA-TLX at the end of each block of both testing and practice was used to confirm participants’ mental workload related to sequence complexity. Both right- and left-handed participants performed the motor sequence task with faster RT when using their right hand. Although participants had increasing RT with increasing sequence complexity, this association was unrelated to handedness. Motor sequence practice produced motor skill acquisition and interlimb transfer indicated by a decreased RT, however, these changes were independent of handedness. Higher sequence complexity was still associated with longer RT after the practice, moreover, both right- and left-handed participants’ RT increased with the same magnitude with the increase in sequence complexity. Similar behavioral pattern was observed in MT as in RT. Overall, our RT results may indicate left-hemisphere specialization for motor sequencing tasks, however, neuroimaging studies are needed to support these findings. On the other hand, handedness did not affect motor skill acquisition by the dominant hand or interlimb transfer to the non-dominant hand regardless of task complexity level.
Reduced motor planning underlying inhibition of prepotent responses in children with ADHD
Authors: Valori Irene , Della Longa Letizia , Angeli Alessia , Marfia Gustavo , Farroni Teresa 
Published: October 2022

AbstractTo flexibly regulate their behavior, children’s ability to inhibit prepotent responses arises from cognitive and motor mechanisms that have an intertwined developmental trajectory. Subtle differences in planning and control can contribute to impulsive behaviors, which are common in Attention Deficit and Hyperactivity Disorder (ADHD) and difficult to be assessed and trained. We adapted a Go/No-Go task and employed a portable, low-cost kinematic sensor to explore the different strategies used by children with ADHD or typical development to provide a prepotent response (dominant condition) or inhibit the prepotent and select an alternative one (non-dominant condition). Although no group difference emerged on accuracy levels, the kinematic analysis of correct responses revealed that, unlike neurotypical children, those with ADHD did not show increased motor planning in non-dominant compared to dominant trials. Future studies should investigate whether motor control could help children with ADHD compensate for planning difficulties. This strategy might make inhibition harder in naturalistic situations that involve complex actions. Combining cognitive and kinematic measures is a potential innovative method for assessment and intervention of subtle differences in executive processes such as inhibition, going deeper than is possible based on accuracy outcomes alone.
No-vaxxers are different in public good games
Authors: Basili Marcello , Muscillo Alessio , Pin Paolo 
Published: October 2022

AbstractIn September 2021 we conducted a survey to 1482 people in Italy, when the vaccination campaign against Covid19 was going on. In the first part of the survey we run three simple tests on players’ behavior in standard tasks with monetary incentives to measure their risk attitudes, willingness to contribute to a public good in an experimental game, and their beliefs about others’ behavior. In the second part, we asked respondents if they were vaccinated and, if not, for what reason. We classified as no-vaxxers those (around $$12\%$$

12
%

of the sample) who did not yet start the vaccination process and declared that they intended not to do it in the future. We find that no-vaxxers contribute less to the public good in the experimental game because they trust others less to do so. from the three tests we extrapolated a classification based on the benchmark of rationality and other-regarding preferences for each respondent, and we found that in this respect no-vaxxers do not differ from the rest of the population.
De novo assembly and characterization of the draft genome of the cashew (Anacardium occidentale L.)
Authors: Savadi Siddanna , Muralidhara B. M. , Godwin Jeffrey , Adiga J. D. , Mohana G. S. , Eradasappa E. , Shamsudheen M. , Karun Anitha 
Published: October 2022

AbstractCashew is the second most important tree nut crop in the global market. Cashew is a diploid and heterozygous species closely related to the mango and pistachio. Its improvement by conventional breeding is slow due to the long juvenile phase. Despite the economic importance, very little genomics/transcriptomics information is available for cashew. In this study, the Oxford nanopore reads and Illumina reads were used for de novo assembly of the cashew genome. The hybrid assembly yielded a 356.6 Mb genome corresponding to 85% of the estimated genome size (419 Mb). The BUSCO analysis showed 91.8% of genome completeness. Transcriptome mapping showed 92.75% transcripts aligned with the assembled genome. Gene predictions resulted in the identification of 31,263 genes coding for a total of 35,000 gene isoforms. About 46% (165 Mb) of the cashew genome comprised of repetitive sequences. Phylogenetic analyses of the cashew with nine species showed that it was closely related to Mangifera indica. Analysis of cashew genome revealed 3104 putative R-genes. The first draft assembly of the genome, transcriptome and R gene information generated in this study would be the foundation for understanding the molecular basis of economic traits and genomics-assisted breeding in cashew.
Real-time monitoring of the dynamics and interactions of bacteria and the early-stage formation of biofilms
Authors: Giorgi Francesco , Curran Judith M. , Patterson Eann A. 
Published: October 2022

AbstractBacterial biofilms are complex colonies of bacteria adhered to a static surface and/or one to another. Bacterial biofilms exhibit high resistance to antimicrobial agents and can cause life-threatening nosocomial infections. Despite the effort of the scientific community investigating the formation and growth of bacterial biofilms, the preliminary interaction of bacteria with a surface and the subsequent early-stage formation of biofilms is still unclear. In this study, we present real-time, label-free monitoring of the interaction of Escherichia coli and Pseudomonas aeruginosa bacteria with untreated glass control surfaces and surfaces treated with benzalkonium chloride, a chemical compound known for its antimicrobial properties. The proof of principle investigation has been performed in a standard inverted optical microscope exploiting the optical phenomenon of caustics as a tool for monitoring bacterial diffusion and early adhesion and associated viability. The enhanced resolving power of the optical set-up allowed the monitoring and characterization of the dynamics of the bacteria, which provided evidence for the relationship between bacterial adhesion dynamics and viability, as well as the ability to form a biofilm. Viable bacteria adhered to the surface exhibited noticeable sliding or rotary dynamics while bacteria killed by surface contact remained static once adhered to the surface. This difference in dynamics allowed the early detection of biofilm formation and offers the potential to quantify the efficiency of antimicrobial surfaces and coatings.
Copper sulfide and zinc oxide hybrid nanocomposite for wastewater decontamination of pharmaceuticals and pesticides
Authors: Mohammed Reem , Ali Mohamed Eid M. , Gomaa Ehsan , Mohsen Mona 
Published: October 2022

AbstractIn this work, hybrid nanocomposites of CuS QDs @ ZnO photocatalysts are fabricated through a facile microwave-assisted (MW) hydrothermal method as a green preparation process. The prepared photocatalysts (PCs) are employed under simulated sunlight (SL) for the degradation of ciprofloxacin, ceftriaxone, ibuprofen pharmaceuticals, methylene blue dye, and 2,4,5-trichlorophenoxyacetic acid (2,4-D) pesticide. The prepared photocatalysts are characterized in detail using several compositional, optical, and morphological techniques. The influence of the CuS (QDs) wt. % on morphological, structural, as well as photocatalytic degradation efficiency have been investigated. The small displacement between the (107) plane of CuS and the (102) plane of ZnO can confirmed the existence of lattice interaction, implying the formation of p-n heterojunctions. TEM and XRD results demonstrated that the CuS QDs are established and uniformly decorated on the surface of ZnO NRs, confirming the forming of an efficient CuS QDs @ ZnO heterojunction nanostructures. The CuS QDs @ ZnO hybrid nanocomposites showed enhancement in crystallinity, light absorption, surface area, separation of e–h pair and inhibition in their recombination at an interfacial heterojunction. In addition it is found that, 3 wt% CuS QDs @ ZnO has the foremost influence. The results showed improvement of photocatalytic activity of the 3% CuS QDs @ ZnO hybrid nanocomposite as compared to the bare ZnO nanorods. The impressive photocatalytic performance of CuS @ ZnO heterostructure nanorods may be attributed to efficient charge transfer. The prepared CuS QDs @ ZnO hybrid nanocomposites exhibited 100% removal for MB dye, after 45 min, and after 60 min for ibuprofen, ciprofloxacin pharmaceuticals, and 2.4.5 trichloro phenoxy acetic acid pesticide with the catalyst amount of 0.2 g/L. Although 100% removal of ceftriaxone pharmaceutical acheived after 90 min. In addition CuS QDs @ ZnO hybrid nanocomposites exhibited complete removal of COD for ibuprofen, ceftriaxone pharmaceuticals and 2.4.5 trichloro phenoxy acetic acid pesticide after 2 h with no selectivity. Briefly, 3% CuS QDs@ZnO hybrid nanocomposites can be considered as promising photoactive materials under simulated sunlight for wastewater decontamination.
The effect of postmenopausal hormonal drop on optic nerve head and peripapillary perfusion using optical coherence tomography angiography (OCTA)
Authors: Fathy Mahmoud , Noureldine Alia , Elmofty Hala M. , Tolba Doaa Ahmad 
Published: October 2022

AbstractWe studied the effect of menopause with subsequent estrogen drop on optic nerve head structure and peripapillary vasculature. This cross-sectional analytic study was carried out on 100 eyes of 100 patients; patients were divided into a premenopausal group (50 eyes) and a postmenopausal group (50 eyes). Optical coherence tomography was done to evaluate retinal nerve fiber layer thickness (RNFLT) and optical coherence tomography angiography (OCTA) to assess the peripapillary capillary vessel density. RNFLT as well as the peripapillary vessel density (VD) were significantly lower in the postmenopausal group (P value < 0.001) with increasing age, hormonal drop, and higher intraocular pressure (IOP), specifically in the inferior quadrant. However, the negative correlation between IOP and VD (r = − 0.541) was stronger than its negative correlation with RNFLT (r = − 0.318). Postmenopausal hormonal changes lead to a significant rise in IOP-although still not glaucomatous- and a decrease in the RNFLT and perfusion of the optic nerve. This confirms the relation between hormonal drop and glaucoma in postmenopausal women. Changes in peripapillary vascular density were more evident than RNFL in correlation with IOP and age changes. So, OCTA can be used to detect early optic nerve affection.
Blood flow restriction accelerates aerobic training-induced adaptation of $$ {\dot{\text{V}}}{\text{O}}_{2} $$ kinetics at the onset of moderate-intensity exercise
Authors: Hori Amane , Saito Ryuji , Suijo Kenichi , Kushnick Michael R. , Hasegawa Daisuke , Ishida Koji , Hotta Norio 
Published: October 2022

AbstractIt is unclear whether blood flow restriction (BFR) accelerates the adaptation of the time constant (τ) of phase II oxygen uptake ($$ {\dot{\text{V}}}{\text{O}}_{2} $$V˙O2) kinetics in the moderate-intensity exercise domain via moderate-intensity aerobic training. Therefore, healthy participants underwent moderate-intensity [45–60%$$ {\dot{\text{V}}}{\text{O}}_{2} $$V˙O2Reserve] aerobic cycle training with or without BFR (BFR group, n = 9; CON group, n = 9) for 8 weeks to evaluate$$ {\dot{\text{V}}}{\text{O}}_{2} $$V˙O2kinetics during moderate-intensity cycle exercise before (Pre) and after 4 (Mid) and 8 (Post) weeks of training. Both groups trained for 30 min, 3 days weekly. BFR was performed for 5 min every 10 min by applying cuffs to the upper thighs. The τ significantly decreased by Mid in the BFR group (23.7 ± 2.9 s [Pre], 15.3 ± 1.8 s [Mid], 15.5 ± 1.4 s [Post],P < 0.01) and by Post in the CON group (27.5 ± 2.0 s [Pre], 22.1 ± 0.7 s [Mid], 18.5 ± 1.9 s [Post],P < 0.01). Notably, the BFR group’s τ was significantly lower than that of the CON group at Mid (P < 0.01) but not at Post. In conclusion, BFR accelerates the adaptation of the$$ {\dot{\text{V}}}{\text{O}}_{2} $$V˙O2kinetics of phase II by moderate-intensity aerobic training.
The development of an automated machine learning pipeline for the detection of Alzheimer’s Disease
Authors: Chedid Nicholas , Tabbal Judie , Kabbara Aya , Allouch Sahar , Hassan Mahmoud 
Published: October 2022

AbstractAlthough Alzheimer’s disease is the most prevalent form of dementia, there are no treatments capable of slowing disease progression. A lack of reliable disease endpoints and/or biomarkers contributes in part to the absence of effective therapies. Using machine learning to analyze EEG offers a possible solution to overcome many of the limitations of current diagnostic modalities. Here we develop a logistic regression model with an accuracy of 81% that addresses many of the shortcomings of previous works. To our knowledge, no other study has been able to solve the following problems simultaneously: (1) a lack of automation and unbiased removal of artifacts, (2) a dependence on a high level of expertise in data pre-processing and ML for non-automated processes, (3) the need for very large sample sizes and accurate EEG source localization using high density systems, (4) and a reliance on black box ML approaches such as deep neural nets with unexplainable feature selection. This study presents a proof-of-concept for an automated and scalable technology that could potentially be used to diagnose AD in clinical settings as an adjunct to conventional neuropsychological testing, thus enhancing efficiency, reproducibility, and practicality of AD diagnosis.
COVID-19: years of life lost (YLL) and saved (YLS) as an expression of the role of vaccination
Authors: Hulíková Tesárková Klára , Dzúrová Dagmar 
Published: October 2022

AbstractWhen evaluating vaccine efficacy, the conventional measures include reduction of risk of hospitalization and death. The number of patients dying with or without vaccination is often in the public spotlight. However, when evaluating public health interventions or the burden of disease, it is more illustrative to use mortality metrics taking into account also prematurity of the deaths, such as years of life lost (YLL) or years of life saved (YLS) thanks to the vaccination. We develop this approach for evaluation of the difference in YLL and YLS between COVID-19 victims with or without completed vaccination in the autumn pandemic wave (2021, October–December) in Czechia. For the analysis, individual data about all COVID-19 deaths in the country (N = 5797, during the studied period) was used. While 40.6% of the deaths are in cohorts with completed vaccination, this corresponds to 35.1% of years of life lost. The role of vaccination is expressed using YLS and hypothetical numbers of deaths. The registered number of deaths is approximately 3.5 times lower than it would be expected without vaccination. The results illustrate that vaccination is more effective in saving lives than suggested by simplistic comparisons.
Characteristics of circulating adaptive immune cells in patients with colorectal cancer
Authors: Zhang Longyi , Chen Xuya , Zu Shujin , Lu Yan 
Published: October 2022

AbstractAdaptive immune cells prevent solid tumor progression by targeting and killing tumor cells. However, there are no comprehensive studies on peripheral circulating adaptive immune cell characterization in colorectal cancer (CRC) patients or the effect of tumor-node-metastasis (TNM) stages on these cells. In this study, the number, phenotype, and function of different subsets of circulating adaptive immune cells in peripheral blood of CRC patients were analyzed. We found remarkable differences in CRC patients compared with those in healthy controls, including reduced absolute counts of total T cells, helper T lymphocytes (Th), cytotoxic T lymphocytes (Tc), and double-negative T lymphocytes, a decreased proportion of INF-γ+ cells in total T cells and Th, and increased percentages of B cells, plasmablasts, and activated T cells. Compared with early-stage CRC patients, advanced-stage CRC patients showed more severe immunosenescence, which manifested as decreased proportions of CD8+ naive T cells with strong proliferative ability and CD8+ central memory T cells with immune surveillance function. Proportions and absolute counts of CD8+ and CD4+ terminally differentiated effector memory T cells were increased, indicating immunosenescence. The immune cell characteristics analyzed in this study serve as a starting point for further research to determine potential clinical implications.