bluuebunny/crossref_metadata_2025_split huggingface dataset:
Coherence mapping to identify the intermediates of multi-channel dissociative ionization
Authors: Stamm Jacob , Kwon Sung , Sandhu Shawn , Sandhu Jesse , Levine Benjamin G. , Dantus Marcos 
Published: May 2024

AbstractIdentifying the short-lived intermediates and reaction mechanisms of multi-channel radical cation fragmentation processes remains a current and important challenge to understanding and predicting mass spectra. We find that coherent oscillations in the femtosecond time-dependent yields of several product ions following ultrafast strong-field ionization represent spectroscopic signatures that elucidate their mechanism of formation and identify the intermediate(s) they originate from. Experiments on endo-dicyclopentadiene show that vibrational frequencies from various intermediates are mapped onto their resulting products. Aided by ab initio methods, we identify the vibrational modes of both the cleaved and intact molecular ion intermediates. These results confirm stepwise and concerted fragmentation pathways of the dicyclopentadiene ion. This study highlights the power of tracking the femtosecond dynamics of all product ions simultaneously and sheds further light onto one of the fundamental reaction mechanisms in mass spectrometry, the retro-Diels Alder reaction.
Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning
Authors: Daina Antoine , Zoete Vincent 
Published: May 2024

AbstractEstimating protein targets of compounds based on the similarity principle—similar molecules are likely to show comparable bioactivity—is a long-standing strategy in drug research. Having previously quantified this principle, we present here a large-scale evaluation of its predictive power for inferring macromolecular targets by reverse screening an unprecedented vast external test set of more than 300,000 active small molecules against another bioactivity set of more than 500,000 compounds. We show that machine-learning can predict the correct targets, with the highest probability among 2069 proteins, for more than 51% of the external molecules. The strong enrichment thus obtained demonstrates its usefulness in supporting phenotypic screens, polypharmacology, or repurposing. Moreover, we quantified the impact of the bioactivity knowledge available for proteins in terms of number and diversity of actives. Finally, we advise that developers of such approaches follow an application-oriented benchmarking strategy and use large, high-quality, non-overlapping datasets as provided here.
Enzymatic synthesis of mono- and trifluorinated alanine enantiomers expands the scope of fluorine biocatalysis
Authors: Nieto-Domínguez Manuel , Sako Aboubakar , Enemark-Rasmussen Kasper , Gotfredsen Charlotte Held , Rago Daniela , Nikel Pablo I. 
Published: May 2024

AbstractFluorinated amino acids serve as an entry point for establishing new-to-Nature chemistries in biological systems, and novel methods are needed for the selective synthesis of these building blocks. In this study, we focused on the enzymatic synthesis of fluorinated alanine enantiomers to expand fluorine biocatalysis. The alanine dehydrogenase from Vibrio proteolyticus and the diaminopimelate dehydrogenase from Symbiobacterium thermophilum were selected for in vitro production of (R)-3-fluoroalanine and (S)-3-fluoroalanine, respectively, using 3-fluoropyruvate as the substrate. Additionally, we discovered that an alanine racemase from Streptomyces lavendulae, originally selected for setting an alternative enzymatic cascade leading to the production of these non-canonical amino acids, had an unprecedented catalytic efficiency in β-elimination of fluorine from the monosubstituted fluoroalanine. The in vitro enzymatic cascade based on the dehydrogenases of V. proteolyticus and S. thermophilum included a cofactor recycling system, whereby a formate dehydrogenase from Pseudomonas sp. 101 (either native or engineered) coupled formate oxidation to NAD(P)H formation. Under these conditions, the reaction yields for (R)-3-fluoroalanine and (S)-3-fluoroalanine reached >85% on the fluorinated substrate and proceeded with complete enantiomeric excess. The selected dehydrogenases also catalyzed the conversion of trifluoropyruvate into trifluorinated alanine as a first-case example of fluorine biocatalysis with amino acids carrying a trifluoromethyl group.
Stoichiometric control of electron mobility and 2D superconductivity at LaAlO3-SrTiO3 interfaces
Authors: Singh Gyanendra , Guzman Roger , Saïz Guilhem , Zhou Wu , Gazquez Jaume , Masoudinia Fereshteh , Winkler Dag , Claeson Tord , Fraxedas Jordi , Bergeal Nicolas , Herranz Gervasi , Kalaboukhov Alexei 
Published: May 2024

AbstractSrTiO3-based conducting interfaces, which exhibit coexistence of gate-tunable 2D superconductivity and strong Rashba spin-orbit coupling (RSOC), are candidates to host topological superconductive phases. Yet, superconductivity is usually in the dirty limit, which tends to suppress nonconventional pairing and therefore challenges these expectations. Here we report on LaAlO3/SrTiO3 (LAO/STO) interfaces with large mobility and mean free paths comparable to the superconducting coherence length, approaching the clean limit for superconductivity. We further show that the carrier density, mobility, and formation of the superconducting condensate are controlled by the fine-tuning of La/Al chemical ratio in the LAO film. We find a region in the superconducting phase diagram where the critical temperature is not suppressed below the Lifshitz transition, at odds with previous experimental investigations. These findings point out the relevance of achieving a clean-limit regime to enhance the observation of unconventional pairing mechanisms in these systems.
Skin-interfacing wearable biosensors for smart health monitoring of infants and neonates
Authors: Zhou Lauren , Guess Matthew , Kim Ka Ram , Yeo Woon-Hong 
Published: May 2024

AbstractHealth monitoring of infant patients in intensive care can be especially strenuous for both the patient and their caregiver, as testing setups involve a tangle of electrodes, probes, and catheters that keep the patient bedridden. This has typically involved expensive and imposing machines, to track physiological metrics such as heart rate, respiration rate, temperature, blood oxygen saturation, blood pressure, and ion concentrations. However, in the past couple of decades, research advancements have propelled a world of soft, wearable, and non-invasive systems to supersede current practices. This paper summarizes the latest advancements in neonatal wearable systems and the different approaches to each branch of physiological monitoring, with an emphasis on smart skin-interfaced wearables. Weaknesses and shortfalls are also addressed, with some guidelines provided to help drive the further research needed.
Turbulent particle-gas feedback exacerbates the hazard impacts of pyroclastic density currents
Authors: Uhle Daniel H. , Lube Gert , Breard Eric C. P. , Meiburg Eckart , Dufek Josef , Ardo James , Jones Jim R. , Brosch Ermanno , Corna Lucas R. P. , Jenkins Susanna F. 
Published: May 2024

AbstractCausing one-third of all volcanic fatalities, pyroclastic density currents create destruction far beyond our current scientific explanation. Opportunities to interrogate the mechanisms behind this hazard have long been desired, but pyroclastic density currents persistently defy internal observation. Here we show, through direct measurements of destruction-causing dynamic pressure in large-scale experiments, that pressure maxima exceed theoretical values used in hazard assessments by more than one order of magnitude. These distinct pressure excursions occur through the clustering of high-momentum particles at the peripheries of coherent turbulence structures. Particle loading modifies these eddies and generates repeated high-pressure loading impacts at the frequency of the turbulence structures. Collisions of particle clusters against stationary objects generate even higher dynamic pressures that account for up to 75% of the local flow energy. To prevent severe underestimation of damage intensities, these multiphase feedback processes must be considered in hazard models that aim to mitigate volcanic risk globally.
China’s ecological footprint via biomass import and consumption is increasing
Authors: Wang Shaojian , Fang Chuanglin , Chen Xiangjie , Liang Junyi , Liu Kangyao , Feng Kuishuang , Hubacek Klaus , Wang Jieyu 
Published: May 2024

AbstractAs China’s economic and population demands grow, the need for biomass imports rises, presenting challenges for sustainable development and global ecosystem protection. Here we examine China’s increasing influence on global ecosystems through its biomass product consumption and trade using the Human Appropriation of Net Primary Productivity framework, analyzing data from 2004 to 2017 with projections until 2050. In 2017, China was the world’s largest biomass consumer, consuming approximately 1.75 petagrams of carbon per year, projected to rise by 317.6% by 2050, highlighting China’s major role in global ecosystem stress. Our findings also show an increase in biomass imports from lower-middle-income and low-income countries between 2004 and 2017, and these imports are expected to continue increasing by 402.9% in 2050. The analysis reveals that domestic product demand and changes in foreign production efficiency are key drivers of this trend, suggesting the need for China to shift towards more efficient trade practices and support cleaner production methods internationally.
Density and strength variations in the mantle lithosphere affect the distribution of intraplate earthquakes
Authors: Bott Judith , Scheck-Wenderoth Magdalena , Kumar Ajay , Cacace Mauro , Noe Sebastian , Faleide Jan Inge 
Published: May 2024

AbstractThe distribution of earthquakes in stable intracontinental tectonic settings is typically far more diffuse than along plate boundaries and the causative mechanisms underlying some recognizable clustering are not understood. Here we show that seismicity in intraplate western and central Europe is largely limited to regions that exhibit a low-density layer in the uppermost lithospheric mantle and preferentially clustered above lateral gradients in upper mantle effective viscosity. The basis for these new insights into the thermal and density configuration of the upper mantle is provided by a shear-wave tomographic model. We propose that the spatial correlations between mantle low-density bodies and crustal seismicity reflect the importance of buoyancy forces within the mantle lithosphere. In addition, under the interaction of forces due to mantle gravitational instabilities, plate tectonics and postglacial rebound, the variably hot and strong mantle lithosphere responds by localized deformation which imposes differential loading on the overlying crust.
Aging clocks based on accumulating stochastic variation
Authors: Meyer David H. , Schumacher Björn 
Published: May 2024

AbstractAging clocks have provided one of the most important recent breakthroughs in the biology of aging, and may provide indicators for the effectiveness of interventions in the aging process and preventive treatments for age-related diseases. The reproducibility of accurate aging clocks has reinvigorated the debate on whether a programmed process underlies aging. Here we show that accumulating stochastic variation in purely simulated data is sufficient to build aging clocks, and that first-generation and second-generation aging clocks are compatible with the accumulation of stochastic variation in DNA methylation or transcriptomic data. We find that accumulating stochastic variation is sufficient to predict chronological and biological age, indicated by significant prediction differences in smoking, calorie restriction, heterochronic parabiosis and partial reprogramming. Although our simulations may not explicitly rule out a programmed aging process, our results suggest that stochastically accumulating changes in any set of data that have a ground state at age zero are sufficient for generating aging clocks.
Identification of the needs of individuals affected by COVID-19
Authors: Stanley Halina B. , Pereda-Campos Veronica , Mantel Marylou , Rouby Catherine , Daudé Christelle , Aguera Pierre-Emmanuel , Fornoni Lesly , Hummel Thomas , Weise Susanne , Mignot Coralie , Konstantinidis Iordanis , Garefis Konstantinos , Ferdenzi Camille , Pierron Denis , Bensafi Moustafa 
Published: May 2024

Abstract
Background
The optimal management of COVID-19 symptoms and their sequelae remains an important area of clinical research. Policy makers have little scientific data regarding the effects on the daily life of affected individuals and the identification of their needs. Such data are needed to inform effective care policy.

Methods
We studied 639 people with COVID-19 resident in France via an online questionnaire. They reported their symptoms, effects on daily life, and resulting needs, with particular focus on olfaction.

Results
The results indicate that a majority of participants viewed their symptoms as disabling, with symptoms affecting their physical and mental health, social and professional lives. 60% of the individuals reported having unmet medical, psychological and socio-professional support needs. Finally, affected individuals were concerned about the risk and invasiveness of possible treatments as shown by a preference for non-invasive intervention over surgery to cure anosmia.

Conclusions
It is important that policy makers take these needs into consideration in order to assist affected individuals to regain a normal quality of life.
Social environment-based opportunity costs dictate when people leave social interactions
Authors: Gabay Anthony S. , Pisauro Andrea , O’Nell Kathryn C. , Apps Matthew A. J. 
Published: May 2024

AbstractThere is an ever-increasing understanding of the cognitive mechanisms underlying how we process others’ behaviours during social interactions. However, little is known about how people decide when toleavean interaction. Are these decisions shaped by alternatives in the environment – the opportunity-costs of connecting to other people? Here, participants chose when to leave partners who treated them with varying degrees of fairness, and connect to others, in social environments with different opportunity-costs. Across four studies we find people leave partners more quickly when opportunity-costs are high, both the average fairness of people in the environment and the effort required to connect to another partner. People’s leaving times were accounted for by a fairness-adapted evidence accumulation model, and modulated by depression and loneliness scores. These findings demonstrate the computational processes underlying decisions to leave, and highlight atypical social time allocations as a marker of poor mental health.
Criterion (Concurrent) Validity and Clinical Utility of the Tongueometer Device
Authors: Krekeler Brittany N. , Hopkins Anna , Tabangin Meredith E. , Altaye Mekibib , Roberts Rachel , Saadi Raneh , Martin-Harris Bonnie , Rogus-Pulia Nicole 
Published: May 2024

Purpose:
Tongue manometry (i.e., tongue pressure measurement) is a commonly used assessment for patients with suspected oral-motor involvement in swallowing disorders. Availability of lingual manometry has changed in recent years, with the introduction of the Tongueometer device being a more affordable tongue manometry system. The purpose of this study was to test concurrent (criterion) validity of the Tongueometer compared to the current standard reference device, the Iowa Oral Performance Instrument (IOPI).

Method:

Adults without dysphagia were recruited for participation in this study. Standard lingual measurements (swallowing-related pressures, maximum isometric pressure [MIP], and maximum isometric endurance) were recorded, with the bulb anteriorly placed, with both devices, in a randomized order. The Bland–Altman method was used to determine concurrent (criterion) validity of these measurements compared to the clinical standard IOPI device. A recently available suggested corrective value by
Curtis et al. (2023)
was also applied, with comparisons made between devices both with and without the Curtis correction.

Results:

The final sample included 70 adult participants aged 20–89 years (
M
age
= 52.3 years). Measures with the Tongueometer device were significantly lower when compared with the same measures taken using the IOPI (
p
< .01) for all measures including MIP, endurance, and swallow pressures. The correction suggested by Curtis and colleagues did not ameliorate these differences.

Conclusions:
The Tongueometer lingual measurements were consistently lower compared to the IOPI. Clinical use of values taken with the Tongueometer device should be compared to normative data published for each specific device. Available features of each device (e.g., display, bulb texture, technology/application) should be considered when selecting which device to use with an individual patient.
Perceptions Around Vocal Health Among Group Fitness Instructors and Pilot Use of Group Fitness Instructor–Specific Voice Handicap Questionnaire
Authors: Dacey Sydney , Koppel Sari , Keltz Andrew , Livecchi Danielle , Kohli Nikita , Lerner Michael Z. 
Published: May 2024

Purpose:
This study aimed to examine the vocal behaviors of group fitness instructors (GFIs), explore awareness among GFIs about voice-specialized health care, and assess the potential utility of a GFI-specific voice handicap questionnaire.

Method:
An anonymous 27-question survey was distributed digitally to GFIs. In addition to collecting demographic data and information about vocal behaviors and demands, the survey included a 10-question GFI-specific questionnaire (GFI-VHI-10) adapted from the Singing Voice Handicap Index-10.

Results:

Fifty-two GFIs participated in the study (75% female, 25% male) with a mean age of 44.6 years. Forty-six percent reported having a voice problem (VP) since entering the fitness industry. Of those 24 individuals, only four received treatment. There was a statistically significant difference in mean GFI-VHI-10 scores between the VP group (11.87) and the non-VP group (6.1), (
p
< .001). Of all respondents, 56% reported never or almost never wearing a microphone while instructing. When asked what they would do if they experienced a VP that lasted for longer than 2 weeks, only 9.6% would see a laryngologist, 23% would see an otolaryngologist, 31% would see their primary care provider, 11.5% were unsure, and 25% would ignore it and hope for spontaneous improvement.

Conclusions:
Although GFIs are at increased risk for vocal health challenges due to their occupational voice demands, their adherence to vocal health maintenance behaviors and awareness of voice-specialized health care may be limited. The GFI-VHI-10 is a promising tool in that it captured higher scores in the VP group than the non-VP group; however, further exploration is warranted.
A back‐to‐back coordination‐based learning scheme for deceiving reactive jammers in distributed networks
Authors: Du Yihang , Zhang Yu , Qian Pengzhi , He Panfeng , Wang Wei , Chen Yifei , Chen Yong 
Published: May 2024

AbstractReactive jammers select jamming strategies according to the users’ responses; thus, conventional anti‐jamming methods such as frequency hopping are inadequate to defeat the jamming attack. In this article, the authors propose a novel uncoupled deception scheme to trap the reactive jammer into attacking a decoy channel in distributed networks. Specifically, the authors design a multi‐functional network utility for every user to mislead the jammer with a minimum energy consumption while achieving the highest network throughput. Based on the network utility, the anti‐jamming problem is formulated as an exact potential game such that the existence of Nash equilibrium can be guaranteed theoretically. The authors further propose a back‐to‐back coordination‐based learning algorithm to reach the optimal channel selection and power adaption in a non‐cooperative way. To alleviate the lack of mutual information exchange, the back‐to‐back coordination mechanism derives all users to deceive the jammer by inferring others’ strategies based on a shared belief. Simulation results show that the proposed algorithm yields higher network throughput and efficiency‐cost ratio compared to the state‐of‐the‐art cooperative schemes.
Looking back to move forward: comparison of instructors’ and undergraduates’ retrospection on the effectiveness of online learning using the nine-outcome influencing factors
Authors: Su Yujie , Xu Xiaoshu , Zhang Yunfeng , Xu Xinyu , Hao Shanshan 
Published: May 2024

AbstractThis study delves into the retrospections of undergraduate students concerning their online learning experiences after the COVID-19 pandemic, using the nine key influencing factors: behavioral intention, instruction, engagement, interaction, motivation, self-efficacy, performance, satisfaction, and self-regulation. 46 Year 1 students from a comprehensive university in China were asked to maintain reflective diaries throughout an academic semester, providing first-person perspectives on the strengths and weaknesses of online learning. Meanwhile, 18 college teachers were interviewed with the same questions as the students. Using thematic analysis, the research identified 9 factors. The research revealed that instruction ranked highest among the 9 factors, followed by engagement, self-regulation, interaction, motivation, and others. Moreover, teachers and students had different attitudes toward instruction. Thirdly, teacher participants were different from student participants given self-efficacy and self-regulation due to their variant roles in online instruction. Lastly, the study reflected students were not independent learners, which explained why instruction ranked highest in their point of view. Findings offer valuable insights for educators, administrators, and policy-makers involved in higher education. Recommendations for future research include incorporating a more diverse sample, exploring relationships between the nine factors, and focusing on equipping students with skills for optimal online learning experiences.
Domestic violence against women during the COVID19 pandemic in Jordan: a systematic review
Authors: Alrawashdeh Maissa N. , Alsawalqa Rula Odeh , Aljbour Rami , Alnajdawi Ann , AlTwahya Fawzi Khalid 
Published: May 2024

AbstractThis study aimed to explore the forms and causes of domestic violence against women in Jordan during the COVID-19 pandemic through a systematic literature review. The review yielded eight articles published between April 2020 and November 2022 in the final sample, all of which met the inclusion criteria. The results revealed 11 forms of domestic violence against women in Jordan during and after the full and partial lockdowns due to the pandemic. Physical violence was the most prevalent form of domestic violence, followed by economic, psychological, emotional, verbal, and sexual forms, as well as control and humiliation, bullying, online abuse, harassment and neglect-related violence. The causes were a combination of economic, socio-cultural, and psychological factors emerging because of the pandemic and lockdowns (e.g., poverty, job loss, low wages, gender discrimination, double burden on women [monotonous roles, paid work], male dominance, reduced income, high cost of living). Additionally, effects of the pandemic included psychological, mental, and emotional negative consequences (e.g., anxiety, fear, stress, depression, loneliness, failure, status frustration). Individuals in Jordanian societies employed the norms, ideas, and values of the patriarchal culture to negatively adapt to the economic and psychological effects of the pandemic, which contributed to more domestic violence cases.