bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analysis of 2D maps based on similarity in DFT-calculated vs experimental 13 C- 15 N spin couplings for a representative sample of conformationally rigid and structurally fixed nitrogen-containing organic compounds
Authors: Stanishevskiy Vladislav V. , Shestakova Alla K. , Chertkov Vyacheslav A. 
Published: October 2022

Abstract
In this work, we carried out an extended verification of the 13C15N spinspin coupling constants as a new structural indicator of nitrogen-containing organic compounds. In this regard, we performed a quantum-chemical calculation (B3LYP with basis set 6-311 + + G(2df,2p)) for a representative sample of 193 spin-spin couplings for the currently known literature experimental date on them in the conformationally rigid and structurally fixed compounds. Comparison of theoretical couplings with experimental ones shows a statistically significant good to excellent agreement. A parallel analysis of the variability of the calculated values of 13C15N spin bonds with the variability of experimental data within groups of related compounds turned out to be practically useful. The approach developed can be used to quite reasonably determine the signs of spin-spin coupling constants 13C15N. It can also provide important additional information for assigning 13C peaks in cases where this cannot be done using standard NMR spectroscopy techniques.
Spatial and temporal distribution characteristics of pCO2 and CO2 evasion in karst rivers under the influence of urbanization
Authors: Li Kai , cao xingxing , Zhou Shiyu , Li Linwei 
Published: October 2022

Abstract
Surface rivers play an essential role in the carbon cycle processes in karst regions; however, less attention has been given to CO2 emissions from karst rivers under the influence of urbanization. In this study, we investigated CO2 partial pressures (pCO2) and degassing in a typical karst river (Nanming River and its tributaries) affected by urbanization in southwest China. Field sampling and measurements were conducted in the area from July 2021 to March 2022 in an attempt to determine the effect of urbanization on riverine pCO2 and CO2 degassing. The results showed that the average values pCO2 of the Nanming River mainstream in the wet season, dry season and flat season were 1975.77 ± 714.45 µatm, 1116.08 ± 454.24 µatm, and 976.89 ± 746.37 µatm, respectively. The tributary had three phase mean pCO2 values of 1770.46 ± 1120.79 µatm, 1638.13 ± 1121.82 µatm, and 1107.74 ± 824.03 µatm. On the whole, the pCO2 of the mainstream of the Nanming River is only slightly higher than that of the tributaries in the wet season but lower than that of the tributaries in the other two hydrological periods. The pCO2 showed obvious seasonal changes in the whole basin; it was the highest in the wet season, followed by the dry season, and the lowest in the flat season. Additionally, more than 90% of the sample points show a supersaturated state of CO2, demonstrating the carbon source characteristics. Spatially, pCO2 tends to be higher in the west region than in the east, higher in the middle than in the immediate vicinity, and higher in the south during the three seasons. And, the pCO2 responds to the urbanization gradient across different rivers and in the upper, middle and lower reaches of the river; that is, the areas with high urbanization have higher pCO2. Urban land along the Nanming River's mainstream has a weaker correlation with pCO2 than urban land along the tributaries due to the mainstream's regular management in recent years. In addition, pCO2 is also positively correlated with TP and TN, which shows that nutrient input from human activities may result in an increase in river CO2 emissions. In the Nanming River Basin, the average CO2 diffusion fluxes at the water-air interface in the wet season, dry season and flat season were 147.02 ± 100.3 mmol/(m2d), 76.02 ± 67.45 mmol/(m2d), and 119.28 ± 168.22 mmol/(m2d), respectively, and the spatiotemporal distribution characteristics were basically the same as those of pCO2. The findings of this study are on the high side when compared to the CO2 fluxes of other rivers in the globe and the worldwide average CO2 fluxes of rivers. Therefore, the impact of urbanization on the carbon emissions of karst rivers cannot be ignored, but strengthening urban river governance can reduce its carbon emissions intensity.
Medical Insurance Payment Schemes and Patient Medical Expenses: A Cross- Sectional Study of Lung Cancer Patients in Urban China
Authors: Hu Hanxu , Zhao Liying , Yong Yang , Nicholas Stephen , Maitland Elizabeth , Zhao Weihan , Yan Hao , Ma Yong , Shi Xuefeng 
Published: October 2022

Abstract
Background：As the main cause of cancer death, lung cancer imposes seriously health and economic burdens on individuals, families, and the health system. In China, there is no national study analyzing the hospitalization expenditures of different payment methods by lung cancer inpatients. Based on the 2010-2016 database of insured urban resident lung cancer inpatients from the China Medical Insurance Research Association (CHIRA), this paper examines the differences in hospital expenses and patient out-of-pocket (OOP) expenses under four medical insurance payment methods: fee-for-service (FFS), per-diem payments, capitation payments (CAP) and case-based payments, and then explores the medical insurance payment method most conducive to controlling the cost of lung cancer.
Method: This is a 2010-2016, 7-year cross-sectional study. CHIRA data are not available to researchers after 2016. The Medical Insurance Database of CHIRA was screened using the international disease classification system to yield 28200 inpatients diagnosed with lung cancer (ICD-10: C34, C34.0, C34.1, C34.2, C34.3, C34.8, C34.9). The study includes descriptive analysis and regression analysis based on generalized linear models (GLM).
Results： The average patient age was 63.4 years and the average length of hospital stay (ALOS) was 14.2 day; 60.7% of patients were from tertiary hospitals; and 45% were insured by FFS. The per-diem payment had the lowest hospital expenses (RMB7496.00/US$1176.87), while CAP had the lowest OOP expenses (RMB1328.18/US$208.52). Compared with FFS hospital expenses, per-diem was 21.3% lower (95% CI=-0.265, -0.215) and case-based payment was 8.4% lower (95% CI=-0.151, -0.024). Compared with the FFS, OOP expenses, per-diem payments were 9.2% lower (95% CI=-0.130, -0.063) and CAP was 15.1% lower (95% CI=-0.151, -0.024).
Conclusion：For lung cancer patients, per-diem payment generated the lowest hospital expenses, while CAP meant patients bore the lowest OOP costs. Facing major diseases such as lung cancer, priority should be given to reducing OOP expenses and implementing CAP. But policy makers should also consider case-based payments to achieve a tripartite balance among medical insurers, hospitals, and insured members. We recommend comparative future studies of the impact of medical insurance schemes on patients suffering other diseases.
Arabic translation and validation of a pediatric sleep questionnaire to assess the prevalence of sleep-disordered breathing among Saudi pre-school children
Authors: Masoud Ahmed I , Mosli Rana H 
Published: October 2022

Abstract
Objectives: (1) To translate to Arabic a validated pediatric sleep questionnaire, (2) To assess the validity and reliability of the translated questionnaire, and (3) To assess the prevalence of sleep-disordered breathing (SDB) among a group of pre-school children in Jeddah, Saudi Arabia.
Methods: Using forward and back-translation, a set of 6 hierarchically arranged questions that comprise the Gozal sleep questionnaire was translated into Arabic. Validity was assessed using face validity and content validity for consistency and clarity, both item-level and scale-level content validity indices (I-CVI, S-CVI). Consent forms were sent to 1783 mothers recruited from 8 different pre-schools in Jeddah between October 2017 and April 2018, and 209 signed and returned the consent forms. Out of this sample, 34 mothers were contacted to assess internal consistency using Cronbach's alpha, and test-retest reliability using Interclass correlation coefficient (ICC). Finally, all 209 mothers were contacted to answer the questionnaire to obtain the prevalence of SDB.
Results: Using face validity and content validity, the translated questionnaire proved to be valid with perfect I-CVI and S-CVI. Internal consistency (Cronbach’s Alpha 0.64–0.89) and test-retest reliability (ICC=087, p<0.001) showed the translated questionnaire to have favorable and good reliability. Depending on the severity of SDB, the prevalence of SDB was 7.7%, 5.7%, and 3.8% for mild, moderate and severe cut-off values respectively.
Conclusion: a validated pediatric sleep questionnaire to assess SDB was translated into Arabic and the translation proved to be valid and reliable. The prevalence of SDB was found to be very comparable to other areas in the world.
Ca2+ binding to Synapsin I regulates resting Ca2+ and recovery from synaptic depression in nerve terminals
Authors: Moschetta Matteo , Ravasenga Tiziana , De Fusco Antonio , Maragliano Luca , Aprile Davide , Orlando Marta , Sacchetti Silvio , Casagrande Silvia , Lignani Gabriele , Fassio Anna , Baldelli Pietro , Benfenati Fabio 
Published: October 2022

Abstract
Synapsin I (SynI) is a synaptic vesicle (SV)-associated phosphoprotein that modulates neurotransmission by controlling SV trafficking. The SynI C-domain contains a highly conserved ATP binding site mediating SynI oligomerization and SV clustering and an adjacent main Ca2+ binding site, whose physiological role is unexplored. Molecular Dynamics simulations revealed that the E373K point mutation irreversibly deletes Ca2+ binding to SynI, still allowing ATP binding, but inducing a destabilization of the SynI oligomerization interface. Here, we analyzed the effects of this mutation on neurotransmitter release and short-term plasticity in excitatory and inhibitory synapses from primary hippocampal neurons. Patch-clamp recordings showed an increase in the frequency of miniature excitatory postsynaptic currents (EPSCs) that was totally occluded by exogenous Ca2+ chelators and associated with a constitutive increase in resting terminal Ca2+ concentrations. Evoked EPSC amplitude was also reduced, due to a decreased readily releasable pool (RRP) size. Moreover, in both excitatory and inhibitory synapses, we observed a marked impaired recovery from synaptic depression, associated with impaired RRP refilling and depletion of the recycling pool of SVs. Our study identifies SynI as a novel Ca2+ buffer in excitatory terminals. Blocking Ca2+ binding to SynI results in higher constitutive Ca2+ levels that increase the probability of spontaneous release and disperse SVs. This causes a decreased size of the RRP and an impaired recovery from depression due to failure of SV reclustering after sustained high-frequency stimulation. The results indicate a physiological role of Ca2+ binding to SynI in the regulation of SV clustering and trafficking in nerve terminals.
Key Elements of Cellular Senescence Involve Transcriptional Repression of Mitotic and DNA Repair Genes Through the p53-p16/pRB-E2F-DREAM Complex
Authors: Pillai Renuka Kandhaya , Mur Francesc Miro , Alijotas-Reig Jaume , Tchkonia Tamar , Schwartz Simo , Kirkland James L. , Oshima Junko 
Published: October 2022

Abstract
Cellular senescence is a dynamic stress response process that contributes to aging. From initiation to maintanence, senescent cells continuously undergo complex molecular changes and develop an altered transcriptome. Understanding how the molecular architecture of these cells evolves to sustain their non-proliferative state will open new therapeutic avenues to allievate or delay consequences of aging. Seeking to understand these molecular changes, we studied the transcriptomic profiles of endothelial replication-induced senescence and senescence induced by the inflammatory cytokine, TNF-α. The downregulated gene signature of both replicative and TNF-α senescence were highly overlapped: decreasing expression of several genes associated to cell cycle regulation, DNA replication, recombination, repair, chromatin structure, cellular assembly, and organization. We identified multiple targets of p53/p16-pRB-E2F-DREAM that are essential for proliferation, mitotic progression, resolving DNA damage, maintaining chromatin integrity, and DNA synthesis were repressed in senescent cells. Here we provide important molecular link between DREAM repressor complex and senescence, and identify pleothra of p53/p16-pRB-E2F-DREAM targets that controls the stability of the senescenct arrest. We propose stable repression of large number of mitotic genes by p53/p16-pRB-E2F-DREAM pathway contributes to the extended mitotic arrest and permanence of the senescent state.
Effect of rotational speed and feed rate on microstructure and mechanical properties of 6061 aluminum alloy manufactured by additive friction stir deposition
Authors: chen gang , Wu Kai , Wang Yu , Zhu Zhi-Xiong , Nie Pan , Hu Feng-Feng 
Published: October 2022

Abstract
Additive friction stir deposition(AFSD) is attractive for its ability to create freeform and fully-dense structures without melting and solidification. Hence, additive friction stir deposition is an alternative to fusion-based additive manufacturing technology. In this study, the influence of AFSD parameter (i.e. rotational speed and feed rate) on the mechanical properties and microstructure of 6061 aluminum alloy is investigated. The as-deposited 6061 aluminum alloy exhibits relatively homogeneous microstructure with extensive equiaxed grains. Compared to the base material, the ultimate tensile strength is ranged from 320 MPa to 210MPa, decreasing to 65% of the feedstock material. The grain boundary misorientation distribution indicates that continuous dynamic recrystallization occurs during the AFSD process. Furthermore, it is evidence that the grain size and ultimate tensile strength are positive correlated with feed rate and rotational speed, whereas the elongation at break decreases with the increase in feed rate and rotational speed.
Tool wear assessment and life prediction model based on image processing and deep learning
Authors: Wu Cheng , Wang Shenlong 
Published: October 2022

Abstract
In the machinery field, drilling is one of the most important machining methods. Real-time monitoring of drill wear can effectively prevent the part quality from not meeting the specifications due to drill failure. This paper proposes a tool wear assessment and life prediction model based on image processing and deep learning methods, which shows great performance for small sample datasets and for low quality images. We construct an image database of drill bits and extract the normal areas and worn areas of the drill bits using the U-Net network and traditional image processing methods, respectively. Moreover, the original dataset is classified using the migration learning technique. The wear level of a drill bit can be accurately evaluated through experimental tests. Testing results show that the proposed method is more convenient and efficient than the previous methods that used manual measurements; the results can be applied to real-time drill wear monitoring, thereby reducing part damage caused by tool wear.
A Study On Conjunctival Impression Cytology in Patients with Early Multiple Sclerosis
Authors: El-Metwaly Marwa Z. , Aly Mona M. , Mohamed Jihan A. , Ali Doaa M. 
Published: October 2022

Abstract
Objective
The current study aims to evaluate the utility of impression cytology in the diagnosis of ocular surface alterations in multiple sclerosis patients as well as to connect impression cytology results with symptoms and clinical evaluation data.
Patients and Methods:
The study included 60 patients [120 eyes] who were divided into 3 groups: Group 1: included 20 participants (40 eyes) with early-diagnosed multiple sclerosis; group 2: included 20 participants (40 eyes) with multiple sclerosis who are already receiving treatment; and group 3: included 20 participants (40 eyes) who were randomly assigned to an age-matched control group who had no ocular or systemic pathologies. In people aged 20 to 40, an ocular tear film was evaluated. All patients finished the routine ophthalmological assessment, fluorescein tear breakup time [TBUT], Schirmer test, and conjunctival impression cytology [CIC].
Results
Most of the early group patients showed grades 1, 2 and 3 (20%, 35% and 30% respectively) in CIC results in 85% of the eyes, whilst in the chronic group patients showed grades 1, 2 and 3 (35%, 25%and 15% respectively) in CIC results in 75% of the eyes, while in the control subjects, impression cytology results showed that all cases were grade 0 (100%) with a highly statistically significant difference with P-value < 0.001. As regarding the mean scores for the TBUT and Schirmer scores for the control group patients, they were (13.7 ± 1.488s) and (13.325 ± 1.5424mm), respectively, whilst the mean scores for the TBUT and Schirmer scores for the early group patients were (7.85 ± 2.1068s) and (7.525 ± 1.9347mm), respectively, while the mean scores for the TBUT and Schirmer scores for the chronic group patients were (9.625 ± 3.3258s) and (9.8 ± 3.4877mm) with a highly statistically significant difference with a P-value < 0.001.
Conclusion
Impression cytology is a non-invasive procedure for examining ocular surface cell morphology that can be used to identify and assess the severity of conjunctival alterations in people with multiple sclerosis.
Organic-inorganic hybrid molecules for elastic ceramic plastic with covalent-ionic bicontinuous network
Authors: Liu Zhaoming , Fang Weifeng , Mu Zhao , He Yan , Kong Kangren , Jiang Kai , Tang Ruikang 
Published: October 2022

Abstract
Transformations of molecules to bulk materials constitute a unique direction for rational design of materials, known as bottom-up syntheses. Although organic-inorganic hybrid materials have played indispensable roles as mechanical, optical, electronic, and biomedical materials, isolated organic‒inorganic hybrid molecules (currently only limited in covalent compounds) seldom presented throughout the preparation of hybrid materials, which is due to the distinct behaviours of organic covalent bonds and inorganic ionic bonds in molecular construction. Here, we integrate typical covalent and ionic bonds within one molecule to create an organic‒inorganic hybrid molecule, which can be used for bottom-up syntheses of hybrid materials. A combination of the organic covalent thioctic acid (TA) and the inorganic ionic calcium carbonate oligomer (CCO) via an acid-base reaction provided a TA-CCO hybrid molecule, and its representative molecular formula was TA2Ca(CaCO3)2. Its dual reactivity involving co-polymerization of the organic TA-segment and inorganic CCO-segment generated the respective covalent and ionic networks. The two networks were interconnected and integrated by each TA-CCO complex to form a covalent-ionic bicontinuous structure within the resulting hybrid material, poly(TA-CCO), which synchronously achieved unification of paradoxical mechanical properties, i.e., hardness versus resilience and strength versus deformability. Moreover, the dynamic Ca2+-CO32- bonds in the ionic network and S‒S bonds in the covalent network ensured material recyclability with plastic-like mouldability while preserving thermal stability. The coexistence of ceramic-like, rubber-like and plastic-like behaviours within poly(TA-CCO) goes beyond current classifications of materials, following the generation of the “elastic ceramic plastic”. The demonstrated bottom-up creation of organic‒inorganic hybrid molecules, covalent-ionic bicontinuous networks and ultimately unique materials provides a feasible pathway for design and construction of hybrid materials by molecular engineering, thereby supplementing the classical methodology used for manufacture of organic‒inorganic hybrid materials.
Infinitely many sign-changing solutions for the nonlinear Schrödinger-Poisson system with super 2-linear growth at infinity
Authors: Wang Shuai , Wu Xing-Ping , Tang Chun-Lei 
Published: October 2022

Abstract
Note: Please see pdf for full abstract with equations.
In this paper, we investigate the sign-changing solutions to the following Schrödinger-Poisson system
−∆u + V (x)u + λφ(x)u = f (u), x ∈ R3 ,
−∆φ = u2 , x ∈ R3 ,
where λ > 0 is a parameter and f is super 2-linear at infinity. By using the method of invariant sets of descending flow and a multiple critical points theorem, we prove that this system possesses infinitely many sign-changing solutions for any λ > 0.
Mathematics Subject Classification. 35J20 · 35J60.
Environmental factors predict psychological symptoms in adolescent refugees during the initial post-resettlement phase
Authors: Hocking Debbie C , Sundram Suresh 
Published: October 2022

Abstract
Background
Adolescent refugees are at high risk of developing mental disorders but are often not recognised early. This pilot study aimed to identify early putative risk factors associated with psychological symptoms in newly resettled refugee youth at potential risk of subsequently developing mental disorders.
Methods
Newly resettled adolescent refugees were recruited through English language schools in Melbourne, Australia. Participants were assessed with the MINI-Kid, Achenbach Youth Self-Report and Reaction of Adolescents to Traumatic Stress scale. Parents completed a mental health screening separately. Linear regression models were used to identify predictive factors associated with symptom ratings.
Results
Seventy-eight, ostensibly well, refugee adolescents (mean age = 15.0 ± 1.6 years) resettled in Australia for 6.1 ± 4.2 months were assessed. Levels of anxiety, depression and post-traumatic stress symptoms were considerably lower than in mainstream population data. Prior displacement was a key determinant of symptomatology. Transitory displacement, irrespective of duration, was associated with elevated scores for depression (t(47)=-4.05, p < 0.0001), avoidance/numbing (U = 466, p < .05) and total trauma (U = 506, p < .05) symptoms. Older age was a unique predictor of depression (F (1,74) = 8.98, p < .01), internalising (F(1,74) = 6.28, p < .05) and total (F(1,74) = 4.10, p < .05) symptoms, whilst parental depression symptoms (t = 2.01, p < 0.05), displacement (t = 3.35, p < 0.01) and, expectedly, trauma exposure (t = 3.94, p < 0.001) were unique predictors of post-traumatic stress symptoms.
Conclusions
Displaced status, older age and parental symptoms predicted psychological symptoms in adolescent refugees in an initial relatively asymptomatic post-resettlement phase. The early recognition of at-risk refugee youth may provide an opportunity for preventative mental health interventions.