bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational demystification of iron carbonyls formation under syngas environment
Authors: Bentria El Tayeb , Shenai Prathamesh Mahesh , Sanvito Stefano , Park Heesoo , Béland Laurent Karim , Laycock Nicholas , El Mellouhi Fedwa 
Published: February 2024

AbstractIron pentacarbonyl (IPC) gas forms upon the reaction of carbon monoxide with Fe containing metallic surfaces under gas reforming conditions. IPC formation can sometimes reach alarming levels that cause metal loss, pipeline thinning corrosion, catalyst poisoning, and contamination of sensitive industrial equipment. In this work, we demystify using multiscale computational modeling the mechanism of Iron pentacarbonyl formation: Density functional theory (DFT) is used to explore various catalytic reactions that involve a Fe adatom reacting with adsorbed carbon monoxide. Our calculated carbonyls desorption barriers on a perfect and clean Fe surface are too high to allow the carbonyls to form then desorb at temperatures <500 K at the rates reported experimentally. Most importantly, our calculations indicate that a high CO surface coverage, in addition to the presence of Fe adatoms, favors carbonyl formation and its desorption towards the flowing gas medium. Using insights extracted from ab initio molecular dynamics simulations, we propose that the most plausible IPC formation mechanism consists of: (1) on surface reactions of adsorbed CO molecules with an Fe adatom to form iron tricarbonyl (Fe(CO)3*) molecules; (2) an adsorbate assisted movement of iron tricarbonyl on top of the CO adlayer; and (3) the interaction of iron tricarbonyl with CO molecules from the gaseous medium eventually leading to iron adatom removal as Fe(CO)5 gas.
Mechanisms and kinetic model for steel corrosion in unsaturated cementitious materials
Authors: Tian Zushi , Fu Chuanqing , Ye Hailong 
Published: February 2024

AbstractConsidering the complex coupling of steel corrosion in partially saturated concrete filled with water, the quantitative description of control mechanisms is still under debate. This work provides new experimental evidence supporting that diffusion control (relative diffusion coefficient) is the dominant mechanism in controlling corrosion rate by limiting the ferrous ion migration in unsaturated concrete. Furthermore, a new mechanism-based kinetic model is developed to predict the corrosion rate in different cementitious materials and corrosion conditions. In addition, the proposed kinetic model can quantify the variation of critical [Cl−]/[OH−] with degree of saturation, classify corrosive conditions, and predict the electrical resistivity and corrosion rate relationships.
TREX reveals proteins that bind to specific RNA regions in living cells
Authors: Dodel Martin , Guiducci Giulia , Dermit Maria , Krishnamurthy Sneha , Alard Emilie L. , Capraro Federica , Rekad Zeinab , Stojic Lovorka , Mardakheh Faraz K. 
Published: February 2024

AbstractDifferent regions of RNA molecules can often engage in specific interactions with distinct RNA-binding proteins (RBPs), giving rise to diverse modalities of RNA regulation and function. However, there are currently no methods for unbiased identification of RBPs that interact with specific RNA regions in living cells and under endogenous settings. Here we introduce TREX (targeted RNase H-mediated extraction of crosslinked RBPs)—a highly sensitive approach for identifying proteins that directly bind to specific RNA regions in living cells. We demonstrate that TREX outperforms existing methods in identifying known interactors of U1 snRNA, and reveals endogenous region-specific interactors of NORAD long noncoding RNA. Using TREX, we generated a comprehensive region-by-region interactome for 45S rRNA, uncovering both established and previously unknown interactions that regulate ribosome biogenesis. With its applicability to different cell types, TREX is an RNA-centric tool for unbiased positional mapping of endogenous RNA–protein interactions in living cells.
Shorter self-reported sleep duration is associated with worse virtual spatial navigation performance in men
Authors: Yavuz Emre , Gahnstrom Christoffer J. , Goodroe Sarah , Coutrot Antoine , Hornberger Michael , Lazar Alpar S. , Spiers Hugo J. 
Published: February 2024

AbstractSleep has been shown to impact navigation ability. However, it remains unclear how different sleep-related variables may be independently associated with spatial navigation performance, and as to whether gender may play a role in these associations. We used a mobile video game app, Sea Hero Quest (SHQ), to measure wayfinding ability in US-based participants. Wayfinding performance on SHQ has been shown to correlate with real-world wayfinding. Participants were asked to report their sleep duration, quality, daytime sleepiness and nap frequency and duration on a typical night (n = 766, 335 men, 431 women, mean age = 26.5 years, range = 18–59 years). A multiple linear regression was used to identify which self-reported sleep variables were independently associated with wayfinding performance. Shorter self-reported sleep durations were significantly associated with worse wayfinding performance in men only. Other self-reported sleep variables showed non-significant trends of association with wayfinding performance. When removing non-typical sleepers (< 6 or > 9 h of sleep on a typical night), the significant association between sleep duration and spatial navigation performance in men was no longer present. These findings from U.S.-based participants suggest that a longer self-reported sleep duration may be an important contributor to successful navigation ability in men.
Insights into gut microbiomes in stem cell transplantation by comprehensive shotgun long-read sequencing
Authors: Spohr Philipp , Scharf Sebastian , Rommerskirchen Anna , Henrich Birgit , Jäger Paul , Klau Gunnar W. , Haas Rainer , Dilthey Alexander , Pfeffer Klaus 
Published: February 2024

AbstractThe gut microbiome is a diverse ecosystem, dominated by bacteria; however, fungi, phages/viruses, archaea, and protozoa are also important members of the gut microbiota. Exploration of taxonomic compositions beyond bacteria as well as an understanding of the interaction between the bacteriome with the other members is limited using 16S rDNA sequencing. Here, we developed a pipeline enabling the simultaneous interrogation of the gut microbiome (bacteriome, mycobiome, archaeome, eukaryome, DNA virome) and of antibiotic resistance genes based on optimized long-read shotgun metagenomics protocols and custom bioinformatics. Using our pipeline we investigated the longitudinal composition of the gut microbiome in an exploratory clinical study in patients undergoing allogeneic hematopoietic stem cell transplantation (alloHSCT; n = 31). Pre-transplantation microbiomes exhibited a 3-cluster structure, characterized by Bacteroides spp. /Phocaeicola spp., mixed composition and Enterococcus abundances. We revealed substantial inter-individual and temporal variabilities of microbial domain compositions, human DNA, and antibiotic resistance genes during the course of alloHSCT. Interestingly, viruses and fungi accounted for substantial proportions of microbiome content in individual samples. In the course of HSCT, bacterial strains were stable or newly acquired. Our results demonstrate the disruptive potential of alloHSCTon the gut microbiome and pave the way for future comprehensive microbiome studies based on long-read metagenomics.
Guiding role of esophageal variceal diameter in treatment of endoscopic ligation: an animal experimental study
Authors: Li Zhiqun , LingHu Enqiang , Li Weimin , Zhou Licai 
Published: February 2024

AbstractIn this study, according to the Location, Diameter, Risk factor (LDRf) classification principle, the influence and effect of esophageal varices diameter on the degree of complete ligation of multicyclic ligator were investigated. Methods. The esophageal veins of healthy piglets were filled with methylene blue solution, and the in vitro pig esophageal varices model was made, which were divided into three groups according to the diameter of esophageal varices: D1, 0.4–1.0 cm; D2, 1.1–1.5 cm; and D3, 1.6–2.0 cm. Finally, the ligation effect of each group was analyzed statistically. A total of 407 ligations were performed on the simulated esophageal variceal model. There were 103 ligations in the D1 group and 98 were complete (95.15%, 98/103); 151 ligations in the D2 group and 47 were complete (31.13%, 47/151); and 153 ligations in the D3 group but none were complete (0%, 0/153). There was significant difference in the degree of complete ligation between the two groups (χ2 = 38.0014, P ≤ 0.001). In the varicose ligation model, the complete ligation effect was the most complete and robust when the varicose diameter was 0.4–1.0 cm. This study showed that the varicose vein diameter in LDRf classification was reasonable and feasible to guide endoscopic varicose vein ligation.
Exploring stress response’s role in executive function impairments among adults with early adverse childhood experiences
Authors: Victor Taïna Steevine , Jacquet Baptiste , El Massioui Farid 
Published: February 2024

AbstractAdverse childhood experiences (ACEs) are recognised as precursors to numerous physical and mental health challenges. However, research on their impact on inhibitory control and working memory, particularly among healthy young adults, remains limited. The role played by the stress response as a moderator in these effects is likewise underexplored. Our study addresses this gap by examining cognitive impairments in non-clinical adults with early childhood trauma, specifically trauma before the age of 13 years, and by assessing the influence of the stress response on these effects. A total of 15 participants with early ACEs were compared with a control group (n = 18) using the Corsi Block Tapping Test (CBTT) and Stroop Word Colour Test (SCWT). Results showed that participants with early ACEs exhibited lower scores on the SCWT but not the CBTT. The stress response emerged as a potential factor in the relationship between early ACEs and cognitive performance. The implications of these findings are then discussed in relation to the existing literature.
Prolyl hydroxylase domain inhibitor is an effective pre-hospital pharmaceutical intervention for trauma and hemorrhagic shock
Authors: Wu Xiaowu , Cap Andrew P. , Bynum James A. , Chance Tiffani C. , Darlington Daniel N. , Meledeo Michael A. 
Published: February 2024

AbstractPre-hospital potentially preventable trauma related deaths are mainly due to hypoperfusion-induced tissue hypoxia leading to irreversible organ dysfunction at or near the point of injury or during transportation prior to receiving definitive therapy. The prolyl hydroxylase domain (PHD) is an oxygen sensor that regulates tissue adaptation to hypoxia by stabilizing hypoxia inducible factor (HIF). The benefit of PHD inhibitors (PHDi) in the treatment of anemia and lactatemia arises from HIF stabilization, which stimulates endogenous production of erythropoietin and activates lactate recycling through gluconeogenesis. The results of this study provide insight into the therapeutic roles of MK-8617, a pan-inhibitor of PHD-1, 2, and 3, in the mitigation of lactatemia in anesthetized rats with polytrauma and hemorrhagic shock. Additionally, in an anesthetized rat model of lethal decompensated hemorrhagic shock, acute administration of MK-8617 significantly improves one-hour survival and maintains survival at least until 4 h following limited resuscitation with whole blood (20% EBV) at one hour after hemorrhage. This study suggests that pharmaceutical interventions to inhibit prolyl hydroxylase activity can be used as a potential pre-hospital countermeasure for trauma and hemorrhage at or near the point of injury.
Personality prediction from task-oriented and open-domain human–machine dialogues
Authors: Guo Ao , Hirai Ryu , Ohashi Atsumoto , Chiba Yuya , Tsunomori Yuiko , Higashinaka Ryuichiro 
Published: February 2024

AbstractIf a dialogue system can predict the personality of a user from dialogue, it will enable the system to adapt to the user’s personality, leading to better task success and user satisfaction. In a recent study, personality prediction was performed using the Myers–Briggs Type Indicator (MBTI) personality traits with a task-oriented human–machine dialogue using an end-to-end (neural-based) system. However, it is still not clear whether such prediction is generally possible for other types of systems and user personality traits. To clarify this, we recruited 378 participants, asked them to fill out four personality questionnaires covering 25 personality traits, and had them perform three rounds of human–machine dialogue with a pipeline task-oriented dialogue system or an end-to-end task-oriented dialogue system. We also had another 186 participants do the same with an open-domain dialogue system. We then constructed BERT-based models to predict the personality traits of the participants from the dialogues. The results showed that prediction accuracy was generally better with open-domain dialogue than with task-oriented dialogue, although Extraversion (one of the Big Five personality traits) could be predicted equally well for both open-domain dialogue and pipeline task-oriented dialogue. We also examined the effect of utilizing different types of dialogue on personality prediction by conducting a cross-comparison of the models trained from the task-oriented and open-domain dialogues. As a result, we clarified that the open-domain dialogue cannot be used to predict personality traits from task-oriented dialogue, and vice versa. We further analyzed the effects of system utterances, task performance, and the round of dialogue with regard to the prediction accuracy.
Season and host-community composition inside roosts may affect host-specificity of bat flies
Authors: Sándor Attila D. , Corduneanu Alexandra , Hornok Sándor , Mihalca Andrei D. , Péter Áron 
Published: February 2024

AbstractBat flies are one of the most abundant ectoparasites of bats, showing remarkable morphological adaptations to the parasitic habit, while the relationship with their hosts is characterized by a high level of specificity. By collecting bat flies from live hosts, our intention was to elucidate the seasonal differences in bat fly occurrence and to describe factors regulating the level of incipient host specificity. Our results indicate that the prevalence and the intensity of infestation is increasing from spring to autumn for most host species, with significant differences among different fly species. Males showed higher infestation levels than females in autumn, suggesting a non-random host choice by flies, targeting the most active host sex. Bat-bat fly host specificity shows seasonal changes and host choice of bat flies are affected by the seasonal differences in hosts’ behavior and ecology, the intensity of infestation and the species composition of the local host community. Nycteribiid bat flies showed lower host specificity in the swarming (boreal autumn) period, with higher prevalence recorded on non-primary hosts. Choosing a non-primary bat host may be an adaptive choice for bat flies in the host’s mating period, thus increasing their dispersive ability in a high activity phase of their hosts.
Factors related to changes in severity among adult and older adult patients at an internal medicine department clinic: an embedded mixed-method study
Authors: Narongsanoi Patcharawan , Banharak Samoraphop , Panpanit Ladawan , Chanaboon Sutin , Damkliang Jintana 
Published: February 2024

AbstractThe changes in aging plus the pathology of diseases can influence the changes in severity levels. This study aimed to examine the changes in levels of severity in patients while waiting to see a doctor. The study was conducted at an outpatient clinic in northeastern Thailand with a total of 421 patients who were assessed twice for levels of severity using the Emergency Severity Index. The 38 triage nurses screened patients, and 18 were interviewed when severity level changes were observed. Data were collected April 1–30, 2021. Quantitative data were analyzed by Chi-square test, Fisher's exact test, and logistic regression. Qualitative data were analyzed by content analysis. Most patients were female, between 18 and 59 years old. Most patients did not change their level of severity. However, increasing levels of severity were found in older adults. Factors related to the changes in severity levels were age group, chronic disease, chief complaint, educational level, the duration of travel to the outpatient clinic, type of vehicle, aging process and comorbidity, pathology of diseases, reassessment interval, nurse's experience, bypassing the patient triage process, patient's self-preparation, management of triage nurses, and assignment of direct healthcare staff until the end of the treatment. Increased severity was more frequently found in older adults, so closely monitored during waiting times at a clinic is needed. Setting rescreening as a policy and having sensitive screening guidelines and tools specific to older adults would contribute to early detection and immediate treatment of deteriorating symptoms and illness to help reduce complications and morbidity.Trial registration: https://osf.io/fp3j2.
Welding of thin stainless-steel sheets using a QCW green laser source
Authors: Haddad E. , Poggenburg F. , Häusler A. , Olowinsky A. 
Published: February 2024

AbstractBipolar plates are structured thin metal sheets and are, next to the membrane electrode assembly (MEA), one of the main components of polymer electrolyte membrane fuel cells. One of the production steps of such bipolar plates is the joining process of its two halves. Laser welding is a suitable method for such an application since it is fast, non-contact, automatable, and scalable. Particularly important aspects of the weld seam are the weld seam width and depth. In this paper, welding of stainless-steel material analogous to materials used in bipolar plates is examined. For this purpose, a newly developed quasi continuous wave (QCW) green laser source with higher beam quality is employed to assess the effect of the wavelength and the spot diameter on the welding of stainless-steel material. By using various focusing lens, different sized beam diameters below 20 µm are achieved and their influence on the final welding result—specifically concerning the seam width—are analyzed. With welding speeds starting at 500 mm/s, reduced weld seam widths (≤ 100 µm) are realized, particularly with a focusing lens of 200 mm focal distance. The suitability of such a process for thin channels of under 75 µm width is examined.
The feasibility of MR elastography with transpelvic vibration for localization of focal prostate lesion
Authors: Lee Hyo Jeong , Cho Soo Buem , Lee Jeong Kyong , Kim Jin Sil , Oh Chang Hoon , Kim Hyun Jin , Yoon Hana , Ahn Hyun Kyu , Kim Myong , Hwang Yeok Gu , Kwon Hye Young , Hwang Moon Jung 
Published: February 2024

AbstractWe aimed to evaluate the feasibility of MR elastography (MRE) using a transpelvic approach. Thirty-one patients who underwent prostate MRE and had a pathological diagnosis were included in this study. MRE was obtained using a passive driver placed at the umbilicus and iliac crests. The shear stiffness, clinical data, and conventional imaging findings of prostate cancer and benign prostatic hyperplasia (BPH) were compared. Inter-reader agreements were evaluated using the intraclass coefficient class (ICC). Prostate MRE was successfully performed for all patients (100% technical success rate). Nineteen cancer and 10 BPH lesions were visualized on MRE. The mean shear stiffness of cancer was significantly higher than that of BPH (5.99 ± 1.46 kPa vs. 4.67 ± 1.54 kPa, p = 0.045). One cancer was detected on MRE but not on conventional sequences. Six tiny cancer lesions were not visualized on MRE. The mean size of cancers that were not detected on MRE was smaller than that of cancers that were visible on MRE (0.8 ± 0.3 cm vs. 2.3 ± 1.8 cm, p = 0.001). The inter-reader agreement for interpreting MRE was excellent (ICC = 0.95). Prostate MRE with transpelvic vibration is feasible without intracavitary actuators. Transpelvic prostate MRE is reliable for detecting focal lesions, including clinically significant prostate cancer and BPH.
Role of Hemigraphis alternata in wound healing: metabolomic profiling and molecular insights into mechanisms
Authors: Devasahayam Arokia Balaya Rex , Palollathil Akhina , Kumar Sumaithangi Thattai Arun , Chandrasekaran Jaikanth , Upadhyay Shubham Sukerndeo , Parate Sakshi Sanjay , Sajida M. , Karthikkeyan Gayathree , Prasad Thottethodi Subrahmanya Keshava 
Published: February 2024

AbstractHemigraphis alternata (H. alternata), commonly known as Red Flame Ivy, is widely recognized for its wound healing capabilities. However, the pharmacologically active plant components and their mechanisms of action in wound healing are yet to be determined. This study presents the mass spectrometry-based global metabolite profiling of aqueous and ethanolic extract of H. alternata leaves. The analysis identified 2285 metabolites from 24,203 spectra obtained in both positive and negative polarities. The identified metabolites were classified under ketones, carboxylic acids, primary aliphatic amines, steroids and steroid derivatives. We performed network pharmacology analysis to explore metabolite–protein interactions and identified 124 human proteins as targets for H. alternata metabolites. Among these, several of them were implicated in wound healing including prothrombin (F2), alpha-2A adrenergic receptor (ADRA2A) and fibroblast growth factor receptor 1 (FGFR1). Gene ontology analysis of target proteins enriched cellular functions related to glucose metabolic process, platelet activation, membrane organization and response to wounding. Additionally, pathway enrichment analysis revealed potential molecular network involved in wound healing. Moreover, in-silico docking analysis showed strong binding energy between H. alternata metabolites with identified protein targets (F2 and PTPN11). Furthermore, the key metabolites involved in wound healing were further validated by multiple reaction monitoring-based targeted analysis.
Development and psychometric assessment of Health Action Process Approach (HAPA) in terms of smoking cessation among Chinese smokers
Authors: Lin Hao , Lin Haoxiang , Zhang Lanchao , Zhang Chengqian , Yang Xiaochen , Cao Wangnan , Chang Chun 
Published: February 2024

AbstractThe Health Action Process Approach (HAPA) is a two-stage (pre-intentional and post-intentional) behavioral change model that distinguishes between motivation and volition in behavior change process. This study aims to develop HAPA-based assessments for smoking cessation among current smokers. The HAPA-based measures were developed and the draft measures included nine constructs, namely, risk perception in smoking-induced cancer, risk perception in smoking-induced systemic disease, positive outcome expectancy, negative outcome expectancy, self-efficacy in quitting smoking, self-efficacy in maintaining, self-efficacy in re-initiating, quitting planning and coping planning in smoking cessation, with a total of 26 items. A cross-sectional survey was conducted in China in 2022. Principal Component Analysis was used for Exploratory Factor Analysis (EFA). Cronbach’s α coefficient was calculated to evaluate the internal consistency. Variables such as severity of smoking addiction were selected to evaluate the correlation between the HAPA scale and these variables. Of the 928 participants, 76.4% (709/928) were male and the median age was 35 years. Five factors were extracted by EFA. The factor loadings of each item were all greater than 0.60, and the cumulative variance contribution rate was 90.15%. The Cronbach’s α coefficient of each HAPA-based subscales was 0.929–0.986. The HAPA-based measurements are comprehensive, reliable and valid in the assessment of smokers’ smoking cessation cognition, which can be used to guide the design and implementation of intervention and the development of theory.