bluuebunny/crossref_metadata_2025_split huggingface dataset:
Realistic nuclear charge distribution model function for analytic nuclear attraction integrals in Gaussian basis functions
Authors: Inoue Nobuki , Nakajima Takahito 
Published: January 2023

AbstractIn electronic structure theory, the charge distribution of a nucleus is usually approximated by point charge, Gaussian function, or homogeneously charged sphere, because they have an analytical nuclear attraction integral (NAI) formula. However, these functions do not always provide good approximations for nuclei with large mass number. The two‐parameter Fermi (2pF) distribution and more realistic distributions describe well even nuclei with large mass number but do not have analytical NAI formulas. We propose a new function model called augmented Gaussian 12 (AG12), which has sufficient number of parameters and analytical NAI formulas. With the proposed fitting scheme, the AG12 charge distribution model optimally reproduces 2pF and the more realistic charge distributions. Moreover, AG12 fitted to 2pF model reproduces the energy difference of hydrogen‐like ions well between the Gaussian distribution and 2pF models. Calculations using AG12 also suggested necessity to use more realistic nuclear charge distributions than 2pF.
Performance and kinetics study of glycerol ketal synthesis from biomass‐based platform chemicals catalyzed by metal salts
Authors: Liu Xueli , Hou Cuihong , Wu Yuan , Chen Wei , Chang Chun , Xu Yanli , Xu Guizhuan 
Published: January 2023

AbstractBackgroundMethyl levulinate glycerol ketal (MLK) is a new kind of glycerol ketal with a wide range of applications. The efficient and green synthesis of MLK from biomass‐based platform chemicals including methyl levulinate (ML) and glycerol (GLY) catalyzed by cheap metal salts was investigated. Effects of different reaction conditions on the GLY conversion and the MLK yield were discussed, and the optimization and the kinetics of ketal preparation were further developed.ResultsThe reaction time, amount of catalyst and ML:GLY molar ratio were optimized based on Box–Behnken experimental design. The average MLK yield of 97.6% could be obtained under the optimum reaction conditions of ML:GLY molar ratio 4:3, vacuum degree 90 kPa, AlCl3 1.8 g, temperature 126 °C and reaction time 2 h, and the AlCl3 could be reused ten times without deactivation. On this basis, the kinetics studies showed that the ketal reaction conforms to the pseudo‐second‐order kinetics model, and the values of pre‐referential factor and activation energy were 1.824 × 104 mol·(g·h)−1 and 90.69 kJ mol−1. A reaction pathway for the ketalization reaction was proposed.ConclusionsThese results provide references for the scale‐up of MLK synthesis and the development of a new glycerol ketal. © 2023 Society of Chemical Industry (SCI).
Escherichia coli runoff from sheep and dairy cow grazed pasture: A plot scale simulation
Authors: Muirhead Richard W. 
Published: January 2023

AbstractAnimal agriculture is recognized as a key source of fecal microbial impacts on water quality and associated risks to human health. Most of the research effort has focused on losses of fecal microbes from cow/cattle feces with little research effort on sheep fecal risks. The literature on fecal microbial risks from pasture is complicated by the fact that experiments are carried out in different environments leading to difficulties in making direct comparisons between sheep and cow/cattle losses from pasture areas. In this study, a plot scale simulation was conducted on the same pasture plots, using simulated rainfall to generate comparable runoff conditions, and using simulated grazing to create similar relative stocking rates. The Escherichia coli concentrations in the runoff were similar from simulated or natural rainfall events. At an equivalent stocking rate, the E. coli runoff concentrations from the sheep grazed pastures were four times higher than the cow grazed pasture. These results show that at an equivalent stocking rate, the E. coli runoff risk from sheep grazed pasture is higher than for cow grazed pasture. Further research is needed to understand the relative impacts of different grazing species of animals as well as stocking rate or management effects on these relative risks to water quality.
Girth and λ $\lambda $‐choosability of graphs
Authors: Gu Yangyan , Zhu Xuding 
Published: January 2023

AbstractAssume is a positive integer, is a partition of and is a graph. A ‐assignment of is a ‐assignment of such that the colour set can be partitioned into subsets and for each vertex of , . We say is ‐choosable if for each ‐assignment of , is ‐colourable. In particular, if , then ‐choosable is the same as ‐choosable, and if , then ‐choosable is equivalent to ‐colourable. For the other partitions of sandwiched between and in terms of refinements, ‐choosability reveals a complex hierarchy of colourability of graphs. Assume is a partition of and is a partition of . We write if there is a partition of with for and is a refinement of . It follows from the definition that if , then every ‐choosable graph is ‐choosable. It was proved in Zhu that the converse is also true. This paper strengthens this result and proves that for any , for any integer , there exists a graph of girth at least which is ‐choosable but not ‐choosable.
“[T]he laws need to change to reflect current society”: Insights from stakeholders involved in development, review or implementation of policies about adolescent consent for HIV testing, care and research in Kenya
Authors: Li Huangqianyu , Shah Seema K. , Healy Elise , Agot Kawango , Neary Jillian , Wilson Kate , Badia Jacinta , Atieno Winnie O. , Moraa Hellen , Meischke Hendrika , Kibugi James , Inwani Irene , Chhun Nok , Mukumbang Ferdinand C. , John‐Stewart Grace , Kohler Pamela , Beima‐Sofie Kristin 
Published: January 2023

AbstractIntroductionEngaging adolescents in HIV care and research promotes the development of interventions tailored to their unique needs. Guidelines generally require parental permission for adolescents to receive HIV care/testing or participate in research, with exceptions. Nevertheless, parental permission requirements can restrict adolescent involvement in care and research. To better appreciate prospects for policy reform, we sought to understand the perspectives of stakeholders involved in the development, review and implementation of policies related to adolescents living with HIV.MethodsSemi‐structured individual interviews (IDIs) were conducted from October 2019 to March 2020 with 18 stakeholders with expertise in the (1) development of policy through membership in the Law Society of Kenya or work as a health policy official; (2) review of policy through ethics review committee service; or (3) implementation of policy through involvement in adolescent education. IDIs were conducted in English by Kenyan social scientists, audio‐recorded and transcribed verbatim. We used thematic analysis to identify themes around how policies can be reformed to improve adolescent engagement in HIV care and research.ResultsOur analysis identified three major themes. First, policies should be flexible rather than setting an age of consent. Stakeholders noted that adolescents’ capacity for engagement in HIV care and research depended on context, perceived risks and benefits, and “maturity”—and that age was a poor proxy for the ability to understand. Second, policies should evolve with changing societal views about adolescent autonomy. Participants recognized a generational shift in how adolescents learn and mature, suggesting the need for a more frequent review of HIV care and research guidelines. Third, adults should empower adolescent decision‐making. Stakeholders felt that caregivers can gradually involve adolescents in decision‐making to equip them to gain ownership over their health and lives, improving their confidence and capacity.ConclusionsRevising relevant laws to consider context, alternative measures of maturity, and evolving societal views about adolescence, along with supporting caregivers to assist in developing adolescent autonomy may promote more equitable and representative participation of adolescents in HIV care and research. Additional research should explore how to support caregivers and other adults to empower adolescents and improve stakeholder engagement in a more routine process of policy reform.
Feasibility study of cultivating desi‐type chickpea genotypes in cold and temperate regions
Authors: Nezami Ahmad , Mahmoodi Ali Akbar , Nabati Jafar , Mohammadi Mohammad , Hasanfard Alireza 
Published: January 2023

AbstractShifting the sowing time of chickpea plants from spring to autumn in arid and semi‐arid regions of Iran is unavoidable. To study the feasibility of this issue, 32 desi‐type chickpea genotypes were planted in Mashhad (as a temperate region) and Jolgeh Rokh (as a cold region) to screen cold‐tolerant genotypes. The results revealed that 100% and 19% of the genotypes planted in Mashhad and Jolgeh Rokh had a survival range of 76–100%. MCC918 in Mashhad and MCC913 in Jolgeh Rokh had the highest height (69 and 33 cm, respectively). The highest biological yields in Mashhad and Jolgeh Rokh were found in MCC576 (1743 g m−2) and MCC207 (658 g m−2), respectively. The grain yield of 41% (13 genotypes) and 34% (11 genotypes) of the genotypes planted in Mashhad and Jolgeh Rokh was higher than the total average (316 and 82 g m−2, respectively). Also, the maximum grain yield in Mashhad was about 2.3 times higher than in Jolgeh Rokh. According to the present experimental results, MCC259, MCC576, and MCC607 in Mashhad as a cold temperate region and MCC207, MCC212, and MCC605 in Jolgeh Rokh as a cold region had the highest winter survival percentage and grain yield compared to the other genotypes.
Gravity perception disturbance in patients with unilateral Meniere disease
Authors: Wada Yoshiro , Shiozaki Tomoyuki , Yamanaka Toshiaki , Kitahara Tadashi 
Published: January 2023

AbstractObjectiveTo investigate gravity perception disturbance (GPD) in patients with Meniere disease (MD), we classified GPD type based on the results of the head‐tilt perception gain (HTPG) and the head‐upright subjective visual vertical (HU‐SVV) evaluated by the head‐tilt SVV (HT‐SVV) test in patients with unilateral MD.MethodsWe conducted the HT‐SVV test on 115 patients with unilateral MD and 115 healthy controls. Among the 115 patients, the period from the first vertigo episode to the examination (PFVE) was known for 91 patients.ResultsThe HT‐SVV test classified 60.9% and 39.1% of patients with unilateral MD as GPD and non‐GPD, respectively. GPD was classified according to HTPG/HU‐SVV combinations as follows: Type A GPD (21.7%, normal HTPG/abnormal HU‐SVV), Type B GPD (23.5%, abnormal HTPG/normal HU‐SVV), and Type C GPD (15.7%, abnormal HTPG/abnormal HU‐SVV). As the PFVE became longer, patients with non‐GPD and Type A GPD decreased; however, those with Types B and C GPD increased.ConclusionThis study provides novel information on unilateral MD from the perspective of gravity perception by classifying GPD based on the results of the HT‐SVV test. This study's findings suggest that overcompensation for vestibular dysfunction in patients with unilateral MD exhibited by large HTPG abnormalities may be strongly associated with persistent postural‐perceptual dizziness.Level of Evidence3b
Anatomic and histomorphometric study of the nerve to the vastus lateralis in cadaver for its clinical application in facial reanimation
Authors: Lasso Jose M. , Ibarra Gorka , Rivera Andres , Fernandez‐Ibarburu Borja , Olivares Martin , de la Cruz Ignacio , Gomez‐Navarro Yesica , Garcia Maria 
Published: January 2023

AbstractBackgroundThe innervated vastus lateralis flap (IVLF) is a barely used possibility for facial palsy reconstruction because of its thickness compared to the gracilis, latissimus dorsi, and pectoralis minor flaps. The aim of this study is to perform a precise description of the intramuscular distribution of the nerve motor branches and its relationship with the vascular pedicle in order to harvest a segmental muscle flap with the best contractile strength to restore facial reanimation.MethodsThe study was performed on 16 adult cadaver thighs identifying the vastus lateralis muscle and the distribution and relationships of its neurovascular pedicle and branches. We evaluated where the nerve pierced the muscle and the course of the nerve within it. Transverse segments of the nerve were obtained from the proximal and distal ends of the nerve and stained using anti‐ChAT (Choline acetyltransferase) antibodies which are specific of motor neurons.ResultsA nerve for the vastus lateralis from the posterior division of the femoral nerve divided into 2 branches in 56% of cases; the principal branch coursed along the vascular pedicle and pierced the muscle more proximally than the respective vessels, and a minor branch that pierced the muscle 25–60 mm proximally. There were 3 main intramuscular branches. The nerve length (mean 132.65 ± 22.89 mm) allowed to reach the contralateral side of the face in almost all cases (95%).The mean ChAT positive fibers was 351.0 ± 92.4/mm2 at the proximal end, and 270.3 ± 87.9/mm2 at the distal end (p = 0.49). The number of ChAT negative fibers was higher than ChAT positive in both proximal and distal ends of the nerve.ConclusionWe propose the IVLF as a one‐step surgical flap for facial paralysis reanimation due to the constant neurovascular pattern and lengthy pedicle. The amount of motor fibers in several segments of the nerve is appropriate to produce a powerful contraction for dynamic reconstruction.
Characteristic mode analysis of a compact circularly polarized rotated square slot antenna
Authors: Oteng Gyasi Kwame , Boukarkar Abdelheq , Obeng Kwakye Kingsford Sarkodie , Ellis Mubarak Sani , Ahmed Abdul‐Rahman , Kponyo Jerry John , Basit Muhammad Abdul , Shoaib Nosherwan 
Published: January 2023

AbstractPresented in this paper is a circularly polarized (CP) wide 45° rotated slot antenna with a broad bandwidth. Characteristic mode analysis is initially carried out to show that, by simply rotating a square slot, CP waves can be radiated if it is properly excited. A simple 50 Ω feedline is then designed to excite the slot for the generation of broadband CP waves. The antenna has a total volume of 30 × 30 × 1.6 mm3. Measurement results indicate a broad S11 ≤ −10 dB impedance bandwidth of 85.7% (3.2–8 GHz), a broadband 3 dB axial ratio bandwidth of 57.1% (3.5–6.3 GHz) and a peak gain of 3.6 dBi are obtained by the antenna. The proposed antenna possesses stable radiation patterns as well as relatively flat gain over its operational bandwidth in addition to being compact. It can thus be used for wireless technologies such as WiMAX 3.5 and 5.5 GHz, WLAN 5.2 and 5.8 GHz in addition to Industrial, Scientific, and Medical 5.8 GHz.
Two families of two‐dimensional finite element interpolation functions of general degree with general continuity
Authors: Moitinho de Almeida J. P. 
Published: January 2023

AbstractThis work presents a generalization of the functions used in Fraeijs de Veubeke's quadrilateral (FVQ) element and in Hsieh, Clough and Tocher's (HCT) triangle, allowing for an arbitrary degree of the approximation, , and for arbitrary order of continuity, . These functions can be used to define finite elements that lead by direct assembly to approximations. Their determination for each element is procedural, generalizing the reasoning used by Zienkiewicz to explain the FVQ element. The completeness of each basis is confirmed by comparing its dimension with that of a broken basis, defined primitive element wise, upon which the continuity constraints are successively imposed. The order of continuity at the vertices that is required to enable the independent definition of the normal derivatives at the sides is confirmed numerically. The corresponding interpolation functions are symbolically derived using Mathematica, and simple matlab codes using the data thus obtained are made available, to illustrate their application.
Outcomes of relapsed/refractory extracranial germ cell tumors treated on conventional salvage chemotherapy without stem cell rescue: Experience from a tertiary cancer center
Authors: Ramanathan Subramaniam , Prasad Maya , Vora Tushar , Badira Cheriyalinkal Parambil , Kembhavi Seema , Ramadwar Mukta , Khanna Nehal , Laskar Siddhartha , Muckaden Mary Ann , Qureshi Sajid , Banavali Shripad , Chinnaswamy Girish 
Published: January 2023

AbstractBackground and aimsData on the outcome and prognostic indicators in extracranial relapsed/refractory germ cell tumors (rel/ref‐GCTs) in children are limited to a few studies. This study looks at remission rates and outcomes of rel/ref‐GCTs treated with conventional salvage chemotherapy (SC) regimens without stem cell rescue at a single center in the developing world.MethodsPatients treated at our center from January 2009 to December 2018 were included. Risk at primary presentation was stratified as all completely excised teratomas and stage I gonadal tumors being low risk (LR); stage IV ovarian, stage III–IV extragonadal GCTs as high risk (HR), and the remaining as intermediate risk (IR). SC regimens were: vinblastine–ifosfamide–cisplatin/carboplatin or paclitaxel–ifosfamide–cisplatin/carboplatin, or cisplatin/carboplatin–etoposide–bleomycin. Local therapy was either surgery and/or radiotherapy.ResultsThe analyzable cohort comprised 50 patients (44 = rel‐GCTs; 6 = ref‐GCTs) with a median age of 3.8 years and male:female ratio of 1.27:1. Primary location was ovary in 16 (32%), testicular in 10 (20%), and extragonadal in the rest (48%). Local, metastatic, and combined progression was noted in 28 (56%), 14 (28%), and eight (16%) patients, respectively, at a median time of 8.5 months. At a median follow‐up of 60 months, the 5‐year event‐free survival (EFS) and overall survival (OS) of the entire cohort (n = 50) were 42.4% and 50.0%, respectively. In patients previously exposed to platinum analogs (n = 38), 5‐year‐EFS and OS were 27.7% and 31.7%, respectively. Local relapses did better when compared to metastatic and combined relapses (5‐year EFS: 64% vs. 23% vs. 0%; p = .009). LR and IR tumors did better compared to HR (5‐year EFS: 81.5% vs. 49.3% vs. 6.5%; p = .002). Patients with normalization of tumor markers after two cycles had a superior EFS (57.6% vs. 0%; p < .001). Relapsed tumors fared better than primary refractory GCTs (5‐year EFS: 48.6% vs. 0%; p < .001).ConclusionsPrimary refractory GCTs, extragonadal rel‐GCTs, and rel/ref‐GCTs with a poor biochemical response did poorly with conventional SC and need alternative treatment strategies. The rel/ref‐testicular GCTs had the best chance of salvage despite a second recurrence (5‐year EFS and OS: 28.60% and 42.90%, respectively).
Serum proteomics profiling identifies a preliminary signature for the diagnosis of early‐stage lung cancer
Authors: Gasparri Roberto , Noberini Roberta , Cuomo Alessandro , Yadav Avinash , Tricarico Davide , Salvetto Carola , Maisonneuve Patrick , Caminiti Valentina , Sedda Giulia , Sabalic Angela , Bonaldi Tiziana , Spaggiari Lorenzo 
Published: January 2023

AbstractPurposeLung cancer is the most common cause of death from cancer worldwide, largely due to late diagnosis. Thus, there is an urgent need to develop new approaches to improve the detection of early‐stage lung cancer, which would greatly improve patient survival.Experimental DesignThe quantitative protein expression profiles of microvesicles isolated from the sera from 46 lung cancer patients and 41 high‐risk non‐cancer subjects were obtained using a mass spectrometry method based on a peptide library matching approach.ResultsWe identified 33 differentially expressed proteins that allow discriminating the two groups. We also built a machine learning model based on serum protein expression profiles that can correctly classify the majority of lung cancer cases and that highlighted a decrease in the levels of Arysulfatase A (ARSA) as the most discriminating factor found in tumors.Conclusions and Clinical RelevanceOur study identified a preliminary, non‐invasive protein signature able to discriminate with high specificity and selectivity early‐stage lung cancer patients from high‐risk healthy subjects. These results provide the basis for future validation studies for the development of a non‐invasive diagnostic tool for lung cancer.
ScrepYard: An online resource for disulfide‐stabilized tandem repeat peptides
Authors: Liu Junyu , Maxwell Michael , Cuddihy Thom , Crawford Theo , Bassetti Madeline , Hyde Cameron , Peigneur Steve , Tytgat Jan , Undheim Eivind A. B. , Mobli Mehdi 
Published: January 2023

AbstractReceptor avidity through multivalency is a highly sought‐after property of ligands. While readily available in nature in the form of bivalent antibodies, this property remains challenging to engineer in synthetic molecules. The discovery of several bivalent venom peptides containing two homologous and independently folded domains (in a tandem repeat arrangement) has provided a unique opportunity to better understand the underpinning design of multivalency in multimeric biomolecules, as well as how naturally occurring multivalent ligands can be identified. In previous work, we classified these molecules as a larger class termed secreted cysteine‐rich repeat‐proteins (SCREPs). Here, we present an online resource; ScrepYard, designed to assist researchers in identification of SCREP sequences of interest and to aid in characterizing this emerging class of biomolecules. Analysis of sequences within the ScrepYard reveals that two‐domain tandem repeats constitute the most abundant SCREP domain architecture, while the interdomain “linker” regions connecting the functional domains are found to be abundant in amino acids with short or polar sidechains and contain an unusually high abundance of proline residues. Finally, we demonstrate the utility of ScrepYard as a virtual screening tool for discovery of putatively multivalent peptides, by using it as a resource to identify a previously uncharacterized serine protease inhibitor and confirm its predicted activity using an enzyme assay.
Investigation of pharmacodynamic material basis of Anemarrhenae Rhizoma and its processed products based on plant metabolomics and molecular docking technology
Authors: Tian Xi , Wei Jinhuan , Niu Yukun , Yang Mengxin , Jin Yiran , Du Yingfeng , Sun Qian 
Published: January 2023

RationaleAnemarrhenae Rhizoma (AR) has been an often used traditional Chinese medicine (TCM) for a long time. Its salt‐processed form is one of the most common application forms. Modern pharmacological research has shown that the salt‐processed product has various significantly enhanced pharmacological activities. However, the pharmacodynamic material basis of this change is not yet known. The aim of this study was to develop a strategy to screen pharmacodynamic substances in AR and salt‐processed AR (SAR).MethodsAn integrated strategy combining plant metabolomics with molecular docking technology was established to screen pharmacodynamic substances. The plant metabolomics analysis was performed to select the chemical markers between AR and SAR. Then, molecular docking technology was applied to explore the relationship between chemical markers and diabetes targets (α‐glucosidase). Finally, potential quality control markers were screened.ResultsThere were significant differences in the quantification of nine steroidal saponins between AR and SAR. The results of plant metabolomics analysis showed a quite clear discrimination including 29 chemical markers between AR and SAR. Taking the hypoglycemic activity into consideration, 16 steroidal saponins were selected as potential quality markers.ConclusionsThe developed method not only supplied an optional solution to search for pharmacophores in AR and SAR, but also provided a foundation for the study of the differential components and pharmacodynamics in various processed products of TCMs.