bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrogen Bonding in 2,2,2-Trifluoroethanol
Authors: Ng Soon , Xie Yaoming , III Henry F. Schaefer 
Published: June 2024

Abstract

Context
2,2,2-Trifluoroethanol (TFE) is known as a membrane mimetic solvent. The IR spectrum, 1H NMR spectrum and 13C NMR spin‒lattice relaxation times (T1) and nuclear Overhauser effect (NOE) data are consistent with extensive hydrogen bonding in TFE, but do not lead to structural features of the hydrogen bonding. Hence DFT computations were carried out. The results predict the existence of a set of H-bonded dimers and trimers. The bond lengths and dihedral angles in these complexes are obtained, together with their dissociation energies. Computations were also performed for the geometry of the two conformers of the isolated monomer. The structure of one of the dimers consists of a 7-member cyclic fragment with a free CF3CH2 side chain. One set of the trimer structure involves the OH of a third monomer H-bonding to one of the F in the CF3 group of the side chain of this dimer; and thereby creating three trimer isomers. A fourth trimer cluster is formed from three monomers in which three OH∙∙∙O bonds create a cyclic fragment with three CF3CH2 side chains. The high dissociation energy (with respect to three monomers) indicate the high stability of the trimer complexes. The structural features of the trimer complexes resemble the structure of a conventional liquid crystal molecule and is postulated to resemble the latter in properties and function in solution but at a much shorter timescale because of the noncovalent bonding. This hydrogen bonding phenomenon of TFE may be related to its function as a membrane memetic solvent.
Methods
Initially IR and NMR spectroscopic methods were used. Standard procedures were followed. For computational calculations a hybrid meta-GGA DFT method, M06-2X/6-311 + G**, was used. The basis set, 6-311 + G**, is of triple-ζ quality, in which polarization functions were added for all atoms and a set of s and p diffuse functions was augmented for the C and F atoms. All computations were carried out with the Q-Chem 5.0 program and the (99, 590) grid was applied for the DFT numeric integrations.
Translational mobility in ternary systems “lithium acetate – cesium acetate – water” according to PFG NMR data
Authors: Mukhin Kirill A. , Pestova Olga N. , Matveev Vladimir V. , Chizhik Vladimir I. 
Published: June 2024

Abstract

The development of ecofriendly electrolytes for lithium-ion batteries is one of the actual tasks of modern electrochemistry. In particular, to this purpose the highly concentrated ternary aqueous systems based on lithium acetate (LiOAc) have been actively investigated. Here, the diffusion coefficients of 7Li+ and 133Cs+ cations, OAc– anion as well as water (1H), in ternary aqueous solutions of cesium and lithium acetates in a range of temperature (– 15 ÷ 35 °C) have been measured using the PFG NMR method. A direct attempt to interpret the obtained dependences within the framework of the Stokes-Einstein model led to the fact that the calculated hydrodynamic radius of the Cs+ cation turned out to be noticeably smaller than its crystallographic one. An approach to describing the high rate of diffusion of cesium cations is proposed, based on taking into account the local viscosity near cations of both types. The use of the approach allowed us to calculate more correctly the hydrodynamic radii of cations, while remaining within the framework of the Stokes-Einstein model. As a result, it has been possible to describe the features of translational motion of components in a complex system that is interesting for electrochemical applications.
Evaluation of the influence of four mandibular planes on the diagnosis of high and low mandibular plane angles
Authors: Zhang Yiwen , Kong Runze , Liu Shijie , Wu Yue , Hu Jinyue , Shao Xiyi , Lv Libo , Lu Yun 
Published: June 2024

Abstract

Four mandibular planes (MPs) are distinguished different when constituting mandibular plane angle (MPA) with sella-nasion (SN) or Frankfort horizontal (FH) plane, which would make high-MPA or low-MPA selection confusing. This study aimed to determine the impact of four MPs—MP gnathion-to-gonion (MP [G]), MP tangent (MP [T]), MP menton (MP [Me]), and MP gonion-to-menton [Go-Me])—on the diagnosis of high and low MPAs and reveal their association with chin morphology. This cross-sectional study was based on cephalometric lateral radiographs from 321 orthodontic samples. MP (G), MP (T), MP (Me), and MP (Go-Me) were analyzed. Regarding MP-SN and MP-FH angle analyses, there were statistically significant differences in the MPA formed by the MP (T) vs. MP (Me); MP (T) vs. MP (G); MP (Go-Me) vs. MP (G); and MP (Go-Me) vs. MP (Me). The numbers of high-MPA cases screened out by the four MPs were (in descending order): MP (T)-SN/FH > MP (Go-Me)-SN/FH > MP (Me)-SN/FH > MP (G)-SN/FH. Considering low-MPA cases, the descending order was MP (Me)-SN/FH > MP (Go)-SN/FH > MP (T)-SN/FH > MP (Go-Me)-SN/FH. Orthodontists should be aware of the differences in MPAs formed by the MP (T), MP (G), MP (Go-Me), and MP (Me) during diagnosis.
Multiple-analytical study on the initiation and technology of Zhaili celadon from the late sixth to the seventh centuries
Authors: Geng Chao , Shen Jingyi , Lang Jianfeng , Chen Zhanglong , Lu Chen , Liu Wei 
Published: June 2024

Abstract

Zhaili kiln is considered one of the earliest kilns sites in northern China, however, there is currently little comprehensive research on the Zhaili production. Therefore, in this study, scanning electron microscope-energy dispersive spectrometer and X-ray diffraction were performed on thirty pieces of typical Zhaili celadon from the late sixth to seven centuries to explore their raw material feature and manufacturing technique. In addition, the motivations for the initiation of Zhaili celadon were also further explored.
CLCN2-related leukoencephalopathy with novel compound heterozygous variants followed with magnetic resonance imaging (MRI) over 17 years: a case report
Authors: Ohira Masayuki , Saitsu Hirotomo , Nakashima Mitsuko , Sato Noriko , Inoue Ken , Takao Masaki 
Published: June 2024

Abstract

Background
CLCN2-related leukoencephalopathy (CC2L) is a rare autosomal recessive disorder caused by biallelic variants of CLCN2 encoding chloride channel 2 (ClC-2) which is one of the nine chloride-transporting proteins in the ClC family. Although CC2L is associated with distinct radiological features, it presents a wide range of clinical features.
Case presentation
A 34-year-old woman presented to our hospital with a sudden onset of vertigo with headache. The patient reported noticing intermittent headaches and tingling in both arms since the age of 31. On the first visit, the patient was alert and neurologically intact, except for slight hyperflexion of the limbs without laterality. Head MRI showed high-intensity signals on axial T2-weighted fluid-attenuated inversion recovery and diffusion-weighted images bilaterally in the posterior limbs of the internal capsules, cerebral peduncles, superior and middle cerebellar peduncles, decussation of superior cerebellar peduncles, and central tegmental tract. All of the patient’s symptoms were resolved or eased following supportive care. The patient stopped attending our hospital at the age of 46 because her symptoms had ameliorated. At 51 years of age, the patient revisited our hospital because of the recurrence of vertigo, headache, and nausea. She did not present with any abnormalities, including ataxia, on neurological examination. Head MRI showed widespread high-intensity signals similar to those exhibited 17 years ago. Genetic testing revealed compound heterozygous variants in CLCN2 (NM_004366.6): a novel variant c.1828C > T, p.(Arg 610*) from her father and c.61dup, p.(Leu21Profs*27) from her mother. The patient was finally diagnosed with CC2L. She received supportive treatment, which made her symptoms manageable.
Conclusions
This is a detailed report of a patient with adult-onset CC2L who was successfully diagnosed and followed with head MRI. This report provides new insight into CC2L, highlighting longstanding and distinct characteristics of head MRI and the difficulty performing diagnosis without it when patients have minimal and common symptoms, such as the present case.
Hydrogen sulfide upregulates HIF-erythropoietin signaling pathway in chronic kidney disease
Authors: Hajiaqaei Mahdi , Ranjbaran Mina , Kadkhodaee Mehri , Shafie Anahid , Abdi Arash , Lorian Keivan , Kianian Farzaneh , Seifi Behjat 
Published: June 2024

Abstract

Introduction:
The mechanism of beneficial effects of H2S in chronic kidney disease (CKD) is the aim of the present study to examine the effects of the H2S donor sodium hydrosulfide (NaHS) on renal function parameters, oxidative stress indices and expression levels of HIF-2α gene and erythropoietin protein in 5/6 nephrectomy-induced chronic renal failure in rats.
Methods and Materials:
Male rats were assigned into 3 groups (n = 8): Sham, CKD and NaHS groups. In the CKD group, 5/6 nephrectomy was performed. In the sham group, rats were anesthetized but 5/6 nephrectomy was not induced. In the NaHS group, 30 µmol/L of NaHS in drinking water for 8 weeks was adminstrated 4 weeks after 5/6 nephrectomy induction. At the end of the 12 week, blood and renal tissues were taken to evaluate renal function parameters, oxidative stress indices and expression levels of HIF-2α gene and erythropoietin protein.
Results
The induction of 5/6 nephrectomy significantly caused renal dysfunction, oxidative stress, increased HIF-2α gene expression and decreased erythropoietin levels in renal tissue samples. NaHS administration resulted in a marked improvement in renal function and oxidative stress indicators, a marked reduction in HIF-2α gene expression as well as an increase in erythropoietin protein levels in comparison with the CKD group.
Conclusion
In this study, regional hypoxia and oxidative stress in CKD, may cause the activation of toll-like receptors and stabilization of the HIFs complexes and due to destructive effects of CKD on the kidney tissues, erythropoietin synthesis was not increased. Administration of NaHS caused inhibition of toll-like receptors and increase the blood flow (vasodilation) on kidney tissue and up-regulating HIF-erythropoietin signalling pathway.
Bi-power Lindley ROC curve analysis: Application to Malignant Tumors Diagnosis
Authors: AKGENÇ Ertan , KUŞ Coşkun 
Published: June 2024

Abstract

This paper conducts Receiver Operating Characteristic (ROC) curve analysis for measurementsthat follow the recently proposed power Lindley distribution. A new index isintroduced to determine a cut-off point, providing an alternative to the well-known YoudenJ index. Firstly, several point estimators are examined for the cut-off points and the AreaUnder the Curve (AUC) measure in the bi-power Lindley (bi-PL) ROC model. Secondly,confidence intervals for these measures are discussed. The point and interval estimates arecompared by using a simulation study. Two numerical examples are presented, one involvingreal data and the other utilizing simulated data, for illustrative purposes. An R library calledPLindleyROC is being developed to enable practitioners to utilize the methodology proposedin this paper.
Ophiocordyceps sinensis infection alters the immune system of the host Thitarodes xiaojinensis investigated by the interaction between immunity and gut microbiota escaping to hemolymph
Authors: Bao Xiu-wen , Wang Qing-he , Li Ting , Li Yong , Liu Si-jing , He Li-ying , Niu Shu-qi , Guo Jin-lin 
Published: June 2024

Abstract

Background Ophiocordyceps sinensis as one typical entomopathogenic fungus (EPF) has the long-term symbiosis process with its host Thitarodes xiaojinensis. O. sinensismainly exists in the hemolymph of the host. However, the mechanism of the host immune response to O. sinensis remains unclear.
Results Here, a multi‑omics approach was used to clarify the role of the interaction between O. sinensis and T.xiaojinensis. The infection of O. sinensis could lead to the increase of hormone levels (20-hydroxyecdysone and juvenile hormone), the enhancement of antioxidant capacity (total antioxidant capacity and glutathione S-transferase) and the response of humoral immunity based on the antibacterial peptides (AMPs) in the host T.xiaojinensis. Elevated 20E levels in the host when O. sinensis infection might contribute to the enhanced expression of AMPs. O. sinensis infection led to intestinal barrier damage and promoted the translocation of bacteria from the gut to hemocoel. Then, the presence of O. sinensis and other opportunistic pathogenic bacterium from gut disrupted the homeostasis of hemolymph microbiota and increased bacterial diversity of the hemolymph.
Conclusions Overall, this study demonstrated that O. sinensis infection damaged intestinal barrier and induced the translocation of gut bacteria and the disruption of microbial homeostasis in hemolymph. The host T.xiaojinensis activated and exploited humoral antibacterial immunity and to eliminate opportunistic bacteria. our findings reveal a novel strategy of interaction between O. sinensis and T.xiaojinensis.
Intracranial infection and acute obstructive hydrocephalus after lateral ventricle central neurocytoma resection: case report and review of the literature
Authors: Jiang Shandong , Dou Zhangqi , Tao Siqi , Chen Gao , Shen Zhiwei 
Published: June 2024

Abstract

Background Central neurocytoma (CN) is a rare neurogenic intraventricular tumor that accounts for 0.25–0.5% of all intracranial tumors. Surgery is the cornerstone of therapy in most instances. Postoperative complications such as intracranial infection and hydrocephalus may be serious and even fatal. However, there are few reports on the management of complications after CN resection.Case presentation: The authors described a 41-year-old male patient, whose CN was near the interventricular foramen with a high Ki-67 index. Seven days following surgery, an intracranial infection struck the patient. On the seventeenth day, the patient experienced signs of obstructive hydrocephalus, including headache, unconsciousness, and gatism. One month after surgery, the patient recovered and was discharged with no sequela through high-grade antibiotics, lumbar cisterna drainage and external ventricular drainage.Conclusions For CN with elevated Ki-67 or growing in the lateral ventricle, particularly in the anterior region close to the interventricular foramen, obstructive hydrocephalus was more likely to be complicated after surgery. The temporary external ventricular drainage may be a substitute for VP shunt, avoiding maintenance risks and complications of VP shunt during long-term drainage. Besides, we also need to etiologically personalize the treatment approaches based on the various stages of patient for maximum clinical benefit.
A study of fever definition and vital sign characteristics using tympanic temperature of hospitalized patients : a big-data analysis
Authors: Han Hye Min , Choi Soojung , Park Euyhyun , Chang Jiwon , Jung Hak Hyun , Im Gi Jung 
Published: June 2024

Abstract

This study aimed to analyze vital sign characteristics of adult patients admitted for elective surgery at the Tertiary Hospital of South Korea, and to define fever and average body temperature by examining the tympanic temperatures of all patients. Retrospective medical data were extracted from 9195 patients aged >21 years admitted to a tertiary hospital for elective surgeries between 2016 and 2020. Data regarding the patients’ vital signs during their hospital stay, including body temperature (measured using the tympanic method), heart rate, and respiratory rate, were analyzed according to age, sex, and circadian rhythm. A normal-distribution graph was obtained when all the body temperature results were aligned. The average body temperature measured was 36.91 ± 0.45°C (average ± standard deviation), indicating a potential fever threshold of 37.81°C. When the participants were divided into age groups, the average temperature, heart rate, and respiratory rate exhibited parabolic trends. Patients in their 60s exhibited the lowest average temperature (36.88°C), whereas those in their 50s had the lowest average heart rate (75.82/min) and lowest respiratory rate (19.08/min). Heart rate and respiratory rate tended to increase in elderly people older than 81 years. The average body temperature was greater in women than in men (37.27°C vs. 37.22°C), while the average heart and respiratory rates were lower in women than in men (76.04/min vs. 77.40/min and 19.25/min vs. 19.35/min, respectively). According to the time of measurement, the average temperature and heart rate appeared to follow a sinusoidal pattern, suggesting that the circadian rhythm was lowest at 8 am. Tympanic temperature is a convenient and real-time measurement method preferred in hospital settings because it is easier to measure compared to other body parts. To develop an improved device and measurement method in the future, it is necessary to analyze tympanic temperature big data and compare it with past vital sign data or biometric information from other body parts.
Assessing genomic diversity and selection signatures of Rhipicephalus microplus in Shaanxi, China based on whole-genome sequences
Authors: Mou Yi-yao , Wang FU-wen , Yang YU-ying , Liu Tian-yuan , Lei Chu-zhao , Lin Qing 
Published: June 2024

Abstract

Background
Ticks play a crucial role in transmitting and carrying various disease-causing microorganisms, which poses a significant risk to public health and the growth of the animal farming industry. Research on the whole genome sequence of ticks is consistently progressing due to the ongoing advancement of high-throughput sequencing technologies.
Methods
This study performed whole-genome resequencing on Rhipicephalus microplus obtained from free-range cattle in Hanzhong City, Shaanxi Province. The newly obtained data was then combined with existing whole genome resequencing data of R. microplus from the NGDC database (project ID: PRJCA002242) for further analysis. The purpose of this analysis was to assess genomic diversity and selection signatures in the Shaanxi group.
Results
The study identified single nucleotide polymorphisms (SNPs) and insertions/deletions (InDels) in the Shaanxi group. The R. microplus from China has been classified into three main branches, and there were variations in nucleotide diversity among populations in different places. All populations exhibited a high level of heterozygosity. Additionally, the value of Tajima's D deviated significantly from zero. Upon examining the mitochondrial genetic diversity of the tick, the study observed subtle variations compared to the phylogenetic tree created using the entire autosomal genome. These differences may arise from variances in population structure and migration patterns between the paternal and maternal tick populations. Genes associated with pesticide resistance, metal ion transportation, and antioxidant activity were identified during the selection study of the Shaanxi group.
Conclusions
The data acquired from our research holds significance in comprehending the biology of ticks, enhancing our understanding of their disease transmission, and formulating efficient strategies for tick management.
HEC-HMS-based future streamflow simulation in the Dhaka River Basin under CMIP6 climatologic projections
Authors: Islam Md. Rabiul , Aziz Md. Tareq , Imran H. M. , Haque Akramul 
Published: June 2024

Abstract

This study aims at developing a physically based semi-distributed rainfall-runoff model in the HEC-HMS platform to predict the historical and future stream flow of the Dhaka River basin. This model adopted and integrated several physio-hydrographic parameters as input data, such as LULC, HSG, DEM, observed stream flow, historical and projected future precipitation of the ACCESS-CM2 ensemble of the Coupled Model Intercomparison Project Phase 6 (CMIP6). The stream flow predictability of the HEC-HMS is observed subject to the model functions and simulation controls. After developing the model architecture, during calibration, a Nash-Sutcliffe efficiency (NSE) of 0.78 and a coefficient of determination (R2) of 0.81 were found, which indicates the simulation efficacy of the model setup. Furthermore, in the validation phase, the model demonstrated its robust performance, with R2 = 0.80 and NSE = 0.78. The study showed the predicted yearly peak discharge of about 341685.8 m3/s, 330017.4 m3/s, and 315588.9 m3/s under the SSP1-2.6, SSP2-4.5, and SSP5-8.5 scenarios, respectively. Here, the Mann-Kendall and Sen's slope tests were conducted to analyze the daily, monthly, and yearly stream flow trends and they substantiate a significant increase in predicted daily streamflow under both the SSP1-2.6 and SSP2-4.5 scenarios and a gradual increase in monthly discharge in May under the SSP5-8.5, as well as in July and August under the SSP1-2.6. Outcome of this study underscores the model’s robustness and contributes vital perceptions for flood control and mitigation strategies.
Exploring the Emergency Response Capacity of Grassroots Centers for Disease Control and Prevention in Jiangxi Province: A Qualitative Study
Authors: Zhan Xingxin , Hu Zhiyong , Li Hui , You Xiaowei , Lin Zhi , Zeng Ju , Fu Lei 
Published: June 2024

Abstract

Background
As the first responders in public health emergencies, grassroots Centers for Disease Control and Prevention (CDCs) play a critical role in emergency response efforts. Thus, it is essential to thoroughly understand and improve their capabilities to handle public health emergencies effectively.
Methods
Qualitative interviews involved 35 personnels from 7 grassroots CDCs in Jiangxi province who were actively engaged in or responsible for managing public health emergencies. Both literature research and qualitative research methods were utilized to gather relevant insights and information.
Results
Analysis of the data resulted in the emergence of three themes and eight sub-themes.The findings suggest deficiencies in the authorized strength of grassroots CDCs, with varying talent quality in their emergency response teams. Low remuneration leads to talent attrition and recruitment challenges, while the personnels face heavy workloads and significant psychological stress. Although there have been some improvements in hardware facilities, grassroots CDC's overall predictive and early warning capabilities remain weak.
Conclusion
To enhance the capacity of grassroots CDCs in responding to and managing public health emergencies, it is imperative to prioritize the recruitment and training of skilled personnels and continuously improve their capabilities. Additionally, it is crucial to enhance the predictive and early warning capabilities of these institutions.