bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Annotation of Unknown Molecular for Miniaturized Mass Spectrometer based on Transformer Enabled Fragment Tree
Authors: Qian Xiang , Yang Yiming , Sun Shuang , Yang Shuyuan , Yang Qin , Lu Xinqiong , Wang Xiaohao , Yu Quan , Huo Xingming 
Published: November 2023

Abstract

Structural annotation of small molecules in tandem mass spectrometry has always been a central challenge in mass spectrometry analysis, especially using a miniaturized mass spectrometer for on-site testing. Here, we propose the Transformer enabled Fragment Tree (TeFT) method, which combines various types of fragmentation tree models and a deep learning Transformer module. It is aimed to generate the specific structure of molecules de novo solely from mass spectrometry spectra. The evaluation results on different open-source databases indicated that the proposed model achieved remarkable results that the majority of molecular structures of compounds in the test can be successfully recognized. Also, the TeFT has been validated on a miniaturized mass spectrometer with low-resolution spectra for 16 flavonoid alcohols, achieving complete structure prediction for 8 substances. Finally, TeFT confirmed the structure of the compound contained in a Chinese medicine substance called the Anweiyang capsule. These results indicate that TeFT method is suitable for annotating fragmentation peaks with clear fragmentation rules.
Metaheuristic-hybridized MLS-SVR: a multi-output model for predicting continuous shear displacements of rock fractures
Authors: Zhou Jian , Wang Zhenyu , Li Chuanqi , Qiu Yingui , Tao Ming 
Published: November 2023

Abstract
This study presents a metaheuristic-hybridized model based on sparrow search algorithm (SSA) and multi-output least-squares support vector regression machines (SSA-MLS-SVR) to predict the continuous shear displacements of rock fractures, which is closely related to the geo-structure stability and safety. To validate the reliability and potential of the proposed model, which was respectively developed by using two subsets of MDST database including 362 results of direct shear tests for rock fractures from laboratory and field. For the unsatisfactory generalization of preliminary model, three kinds of nonlinear transformations were utilized in data preprocessing to improve the data sensitivity of SSA-MLS-SVR. The performance of modified model indicated that the SSA-MLS-SVR can effectively grasp the correlation among each post-peak shear displacements in the continuous shear process of rock fractures. In addition, at the end of this paper, some interesting findings and conjectures about the potential connections among continuous shear displacements will be summarized. This study has a great significance of exploring the correlation among the continuous shear displacements of rock fractures, and the use of the proposed data processing method is valuable for further improving the model prediction performance.
Collateral sensitivity prevents antifungal drug resistance evolution in Candida auris
Authors: Carolus Hans , Sofras Dimitrios , Boccarella Giorgio , Goossens Louise , Chen Alicia , Vantyghem Ina , Jacobs Stef , Pierson Siebe , Steenackers Hans , Lagrou Katrien , Berman Judith , Gabaldon Toni , Berg Pieter van den , Dijck Patrick Van 
Published: November 2023

Abstract

The increased prevalence of antifungal drug resistance and emergence of multidrug-resistant species such as Candida auris represent a global public health threat. By mapping drug susceptibility responses of experimentally evolved C. auris across diverse antifungals, we found trends of cross-resistance (XR) and collateral sensitivity (CS) and show that CS can reduce resistance development through drug cycling and combination therapy, providing a promising direction for future research.
Exports and Foreign Direct Investment: Theory and Evidence for Services Firms *
Authors: Nordås Hildegunn Kyvik , Lodefalk Magnus , Tang Aili 
Published: November 2023

Abstract
This paper analyses firms’ choice of how to serve foreign markets in services. Using administrative firm-destination data from Sweden, we document some key facts that contradict workhorse models in international trade. First, the productivity pecking order of exporters and multinationals may not apply to services. Second, firms simultaneously export and sell services via foreign affiliates to the same market. Third, most services exporters are also goods exporters and almost half of all services exporters have their main activity in manufacturing. To explain these stylised facts, we develop a model where services are credence products. Consumers learn about the products from using them and producers build firm-specific reputation which generates economies of scope. We bring the model to Swedish micro data. Our gravity-based estimations support the credence product explanation and also suggest that the proximity concentration trade-off may not apply to services.
JEL Codes: D21, D22, F12, F23.
Cortical processing of pain and itch information by distinct neuronal populations
Authors: Kaang Bong-Kiun , Ko Hyoung-Gon , Choi Dong Il , Lee Chiwoo , Choi Ja Eun , Oh Jihae , Han Seunghyo , Ye Sanghyun , Lee Jiah , Jung Hyunsu , Lee Jaehyun , Lee Kyungmin , Lee Jae-Hyung , Zhuo Min 
Published: November 2023

Abstract

Pain and itch perception both evoke aversive but qualitatively different feelings. The transmission pathways and brain areas that process pain and itch are related, with the anterior cingulate cortex (ACC) being important for the affective dimension of both sensations. The cellular mechanisms by which these two somatosensory stimuli are processed in the same brain area, however, remain largely unknown. Here we identified distinct neuronal populations related to pain and itch processing in layer II/III of the ACC. These include neurons activated by both itch and pain stimuli separated by a short time interval and modality-specific neurons activated only by either itch or pain stimuli regardless of the interval between them. Using the dual-eGRASP (enhanced green fluorescent protein reconstitution across synaptic partners) technique, we found that pain- and itch-specific neurons preferentially receive synaptic connections from mediodorsal thalamic neurons activated by pain and itch stimuli, respectively. Using an inhibitory designer receptor exclusively activated by a designer drug (DREADD), we found that although suppressing itch- or pain-specific neurons reduced pruriception or nociception, respectively, neither type of inhibition affected the opposite modality. Together, these results indicate that the processing of itch and pain information in the ACC involves activity-dependent and modality-specific neuronal populations, and that pain and itch are processed by functionally distinct ACC neuronal subsets.
VIQS Epidemic Modeling of Distributed Denial-of-Service Attacks in Software-Defined Networking
Authors: BIAOU Babatoundé O. Simon , OLUWATOPE Ayodeji Oludola , OGUNDARE Babatunde Sunday , BABALOLA Ajiboye R. , OLOSUNDE Akinlolu A. 
Published: November 2023

Abstract
Software-Defined Networking (SDN) in view of securing a future for networking has been regularly facing a lot of treats and attacks. In this study, a VIQS (Vulnerable, Infected, Quarantined and Secured) epidemic is modelled and the mathematical analysis of the model is formulated and implemented to mitigate the Distributed Denial of Service (DDoS) attack in SDN. The proposed model is in an open population of nodes where the nodes have the liberty of movement from the point of view of the SDN architecture. This achieves the local and global stabilities of the free equilibrium when Ro < 1 and the endemic equilibrium when Ro > 1 of the DDoS attack in SDN. Therefore, the stability of the system has led to the extent that there are no longer infectious or quarantined nodes over time for both the local stability of attack free equilibria when Ro < 1 and the local stability of endemic equilibria when Ro > 1. It is proven that, with the consideration of the quarantine state transition of nodes in the proposed VIQS epidemic model built in an open population of nodes, the DDoS attack is carefully mitigated and under a total control.
Diversity-oriented combinatory formulation screen for cardiac RNAi therapeutics with polysaccharide framework
Authors: Santos Hélder A. , Liu Zehua , Ma Ming , Chen hangrong , Peer Dan , Naidu Gonna Somu , Pan Da , Lan Zhengyi , Li Sen , Gao Han 
Published: November 2023

Abstract

Ionotropic gelation is widely used to fabricate targeting nanoparticles (NPs) with polysaccharides, leveraging their recognition by specific lectins. Despite the fabrication scheme simply involves self-assembly of differently charged components in a straightforward manner, the identification of a potent combinatory formulation is usually limited by structural diversity in compound collections and trivial screen process, imposing crucial challenges for efficient formulation design and optimization. Herein, we report a diversity-oriented combinatory formulation screen scheme to identify potent gene delivery cargo in the context of precision cardiac therapy. Distinct categories of cationic compounds are tested to construct RNA delivery system with an ionic polysaccharide framework, utilizing a high-throughput microfluidics workstation coupled with streamlined NPs characterization system in an automatic, step-wise manner. Sequential computational aided interpretation provides insights in formulation optimization in a broader scenario, highlighting the usefulness of compound library diversity. As a result, the out-of-bag NPs, termed as GluCARDIA NPs, are utilized for loading therapeutic RNA to ameliorate cardiac reperfusion damages and promote the long-term prognosis. Overall, this work presents a generalizable formulation design strategy for polysaccharides, offering design principles for combinatory formulation screen and insights for efficient formulation identification and optimization.
Longitudinal transcriptomic and epigenetic analysis in astronauts reveals dynamic immune response to spaceflight
Authors: Diatchenko Luda , Ao Xiang , Parisien Marc , Cata Juan , Montagna Francesca , Vigouroux Marie , de Araujo Lorenna Oliveira Fernandes , Karaky Mohamad , ingelmo Pablo 
Published: November 2023

Abstract
With the advance of the space industry, the number of astronauts is increasing exponentially. A better understanding of the molecular changes in astronauts in response to spaceflight is required. Here we studied the transcriptomic and epigenetic changes that are subjected to spaceflight. We analyzed the blood samples of two astronauts collected at three timepoints of two weeks before (T0), twenty-four hours after (T2) and three months after (T3) spaceflight. We found monocytes were downregulated at T2 after the spaceflight and reversed to baseline T0 after three months of post-spaceflight at T3. Transcriptomic analysis identified two groups of genes that showed distinct expression patterns, one with transient up-regulation of the expression immediately after spaceflight and another one with transient down-regulation. Pathway analysis of the two groups revealed that protein modification pathway and cell cycle pathway were enriched, possibly supporting the conversion of monocytes to macrophages via autophagy. Epigenetic analysis identified four methylation patterns that showed transient and persistent changes, enriched in the nervous system development pathway and cell apoptosis pathway. Region-level methylation responses point to the genes involved in bone diseases, such as FBLIM1, IHH, and SCAMP2. eQTM analysis suggested a link between RNA transcriptional activity and DNA methylation through transcriptional regulator ZNF684. In conclusion, our longitudinal transcriptomic and epigenetic analysis in astronauts provides a comprehensive view of the physiological impact of spaceflight on human biology that potentially has systemic large short-term and smaller long-term effects on bodily functions.
Unraveling secondary ice production in winter orographic clouds through a synergy of in-situ observations, remote sensing and modeling
Authors: Georgakaki Paraskevi , Billault-Roux Anne-Claire , Foskinis Romanos , Gao Kunfeng , Sotiropoulou Georgia , Gini Maria , Takahama Satoshi , Eleftheriadis Konstantinos , Papayannis Alexandros , Berne Alexis , Nenes Athanasios 
Published: November 2023

Abstract

Recent years have shown that secondary ice production (SIP) is ubiquitous, affecting all clouds from polar to tropical regions. SIP is not described well in models and for this may vastly underpredict ice crystal number concentrations in warm mixed-phase clouds. Through a synergy of modeling, remote sensing and in-situ measurements carried out in an orographic environment during the Cloud-AerosoL InteractionS in the Helmos background TropOsphere (CALISHTO) campaign, we show that SIP can have a profound impact on the vertical distribution of hydrometeors and precipitation, especially in seeder-feeder configurations which are encountered in multi-layered cloud systems. The mesoscale model simulations coupled with a radar simulator strongly support a unique signature that is characteristic of SIP; because of this, our study opens the possibility of using the vast global archive of cloud radar data for systematically inferring SIP signatures and frequency of occurrence.
Self-Aligned Bilayer Linear Grating Enabling Highly Enhanced Responsivity of MWIR InAs/GaSb Type-II Superlattice (T2SL) Photodetector
Authors: Kim Bongjoong , Lee Minseok , Ku Zahyun , Jeong Seungjin , Hwang Jehwan , Lee Junghyun , Kim Junoh , Kang Sang-Woo , Urbas Augustine , Bae Hagyoul 
Published: November 2023

Abstract
Linear gratings polarizers provide remarkable potential to customize the polarization properties and tailor device functionality via dimensional tuning of configurations. Here, we extensively investigate the polarization properties of single- and double-layer linear grating, mainly focusing on self-aligned bilayer linear grating (SABLG), serving as a wire grid polarizer in the mid-wavelength infrared (MWIR) region. Computational analyses revealed the polarization properties of SABLG, highlighting enhancement in TM transmission and reduction in TE transmission compared to single-layer linear gratings (SLG) due to optical cavity effects. As a result, the extinction ratio is enhanced by approximately 2724-fold in wavelength 3–6 μm. Furthermore, integrating the specially designed SABLG with an MWIR InAs/GaSb Type-II Superlattice (T2SL) photodetector yields a significantly enhanced spectral responsivity. The extinction ratio of TM- to TE-spectral responsivity is enhanced by around 8775-fold. The simulation methodology and analytical analysis presented herein provide a versatile route for designing optimized polarimetric structures integrated into infrared imaging devices, offering superior capabilities to resolve linear polarization signatures.
Predictors of male loneliness across the lifespan: A longitudinal Australian study
Authors: Botha Ferdi , Bower Marlee 
Published: November 2023

Abstract

Background
Despite growing recognition of loneliness as a global public health concern, research on its occurrence and precipitants among men across the lifespan remains limited and inconclusive. This study aims to address this gap by investigating the prevalence and predictors of loneliness among a large, representative data set of Australian adult men.
Methods
The study used longitudinal data from waves 2–21 of the Household, Income and Labour Dynamics in Australia (HILDA) Survey, restricting the sample to men aged 18–80. Using two measures of loneliness, a single item measure and a multi-item measure, linear fixed effects regressions were estimated that account for unobserved time-invariant individual heterogeneity. Each loneliness measure was regressed on a set of selected explanatory variables over different parts of the life span.
Results
Across all ages, average reported loneliness scores are higher with the multi-item measure than with the single-item measure. Increased social isolation, romantic partnership dissolution, having a long-term disability, and having more conservative beliefs regarding gender roles are associated with greater loneliness. Frequent social connection, having a romantic partner, and high neighbourhood satisfaction are protective against loneliness. The findings also reveal several differences in the predictors of loneliness over the life course. Job security is especially important for younger men, whereas for older men volunteering and less conversative gender role attitudes are important factors that can decrease loneliness.
Conclusions
The results emphasise the need to consider age-specific factors and societal expectations in understanding and addressing loneliness amongst men. Additionally, the findings underscore the importance of raising awareness about the impact of societal norms and expectations on men's mental health. The results offer valuable insights for policymakers, healthcare providers, and researchers to develop effective strategies and support systems to combat loneliness and promote well-being among men.
Cost utility Analysis of Adult Patients with Severe Aplastic Anemia Based on Single-center Study
Authors: chen lin , fang liwei , kuang zhexiang , xu jing , wang chuan 
Published: November 2023

Abstract
Objective The purpose of this study is to objectively evaluate the efficacy of cyclosporine A + ALG and cyclosporine A + TPO-RA in the treatment of SAA patients, and to provide scientific data support for maximizing the therapeutic benefit of SAA patients. Method Cost-utility analysis was used to compare the quality of life adjusted years and total cost of the two schemes. The patient utility value was obtained from EQ-5D-3L and Japanese TTO conversion, and the total cost of treatment was obtained from electronic questionnaire survey and medical information data. Results A total of 26 adult patients were included in the study, including 17 with cyclosporine A + ALG and 9 with cyclosporine A + TPO-RA. In terms of QALY, patients with cyclosporine A + ALG regimen had higher intuitive feelings than those with cyclosporine A + TPO-RA regimen from admission to 6 months of follow-up, and the quality of life of patients with the former regimen was also significantly higher than that of the latter, with a difference of 0. 08 QALY (P < 0.01). In terms of total cost, the total cost of the former was twice that of the latter. Each QALY obtained by the two regimens was 687,000 yuan and 450,000 yuan, respectively. Compared with the cyclosporine A + TPO-RA regimen, the total cost of each QALY increased by the cyclosporine A + ALG regimen was 1.51 million yuan. Conclusion On the premise of ensuring the effectiveness of diagnosis and treatment, CsA + TPO-RA can be used as a good treatment option, which can reduce the economic pressure of SAA patients, reduce the burden of disease, reduce the pressure of medical insurance funds, and achieve multi-benefits.
Volume conservation endows soap bubbles distinctive roll-off characteristics
Authors: Li Wei-Chih , Shih Chih-Yao , Chang Tzu-Liang , Hong Tzay-Ming 
Published: November 2023

Abstract
Soap bubbles bring joy to children and can be seen floating in our baths and during dishwashing. We investigate the thinning and breaking of soap bubble necks when subjected to stretching, providing a contrast to the more extensively studied films with open boundaries. Our analysis reveals the difference in the evolution of the profile between film and bubble during the initial non-equilibrium state, known as the roll-off regime. Furthermore, we observe that the scaled profile of the bubble is primarily determined by the ratio V/R3, where V and R represent the air volume and the cap size. The former implies that successive profiles at different times can be mapped onto a master curve by appropriately scaling them with the time until pinch-off occurs, τ. Additionally, the significance of the latter lies in the fact that akin to the insensitivity of films to R during the final pinch-off regime. The process of memory erasure commences earlier in bubbles while maintaining a fixed value of V/R3. Moreover, we discover that the minimum radius which remains independent of both V and pulling speed deviates from the previous prediction of～τ 2/3 for the film. It is important to note that our discussion is limited by the short duration of the roll-off regime, spanning from 10-2 to 10-3 seconds.
Genome- and transcriptome-wide systematic identification of bHLH transcription factor family and characterization of promising members that respond to abiotic stress in tomato
Authors: Zhang Jianling , Pan Yu , Ma Kaixuan , Zhu Mingku , Liu Xiaoying , Song Yun , Sun Yueying , Li Jing , Zhang Zhihuan 
Published: November 2023

Abstract
Background
The bHLH (basic helix-loop-helix) transcription factors function as crucial regulators in numerous biological processes including abiotic stress responses and plant growth and development. Although SlbHLH gene family in tomato has been studied and the functions of some members have been explored, there are still many tomato SlbHLH genes that have not been identified and numbered, which will hinder the later study of SlbHLH genes. A genome-wide systematical identification and characterization is necessary for tomato SlbHLH genes.
Results
In the study, numerous genes were identified to be the potential and significant candidates that response to salt stress through RNA-seq analysis. 195 bHLH genes that unevenly distributed onto 12 chromosomes were identified from tomato genome. Phylogenetic relationships showed that SlbHLHs were classified into 26 subfamilies based on their conserved domain, motif compositions and gene structures. The collinearity between SlbHLHs and interrelated orthologs from ten plants further revealed evolutionary insights into SlbHLHs. Cis-elements investigations of SlbHLH gene promotors futhrer suggested the potential roles of SlbHLHs in tomato development and stress responses. The qRT-PCR analysis displayed that the expression of 12 selected SlbHLHs were varyingly and markedly induced by multiple abiotic stresses (salt, cold, heat and drought) and hormone treatments (SA, ABA, IAA, ACC and MeJA).
Conclusions
These results provide valuable foundations for further exploring possible regulatory mechanisms and functional characterizations of SlbHLHs, and numerous members may function as the potential regulators to enhance plant tolerance to abiotic stress.
CO residence time modulates multi-carbon formation rates in a zero-gap Cu based CO2 electrolyzer
Authors: Burdyny Thomas , Subramanian Siddhartha , Kok Jesse , Gholkar Pratik , Kumar Asvin Sajeev , Montfort Hugo-Pieter Iglesias van , Kortlever Ruud , Urakawa Atsushi , Dam Bernard 
Published: November 2023

Abstract
Carbon dioxide (CO2) electrolysis on copper (Cu) catalysts has attracted interest for its direct production of C2+ feedstocks. Using the knowledge that CO2 reduction on copper is primarily a tandem reaction of CO2 to CO and CO to C2+ products, we show that modulating CO concentrations within the liquid catalyst layer allows for C2+ selectivity of > 80 % at 200 mA cm‑2 over broad conversion conditions. The importance of CO pooling is demonstrated through residence time distribution curves, varying flow fields (serpentine/parallel/interdigitated), and flow rate. While serpentine flow fields require high conversions to limit CO selectivity and maximize C2+ selectivity, the longer CO residence times of parallel flow fields reach similar selectivity over broad flow rates. Critically, we show that parts of the catalyst area are predominantly reducing CO instead of CO2 as supported by CO reduction experiments, transport modelling, and achieving a CO2 utilization efficiency greater than the theoretical limit of 25 % for C2+ products.