bluuebunny/crossref_metadata_2025_split huggingface dataset:
New alternatives to the Lennard-Jones potential
Authors: Moscato Pablo , Haque Mohammad Nazmul 
Published: December 2023

Abstract

We present a new method for approximating two-body interatomic potentials from existing ab initio data based on representingthe unknown function as an analytic continued fraction. In this study, our method was first inspired by a representation of the unknown potential as a Dirichlet polynomial, i.e., the partial sum of some terms of a Dirichlet series.
Our method allows for a close and computationally efficient approximation of the ab initio data for the noble gases Xenon (Xe), Krypton (Kr), Argon (Ar), and Neon (Ne), which are proportional to r−6 and to a very simple depth=1 truncated continued fraction with integer coefficients and depending on n−r only, where n is a natural number (with n=13 for Xe, n=16 for Kr, n=17 for Ar, and n=27 for Neon).
For Helium (He), the data is well approximated with a function having only one variable n−r with n=31 and a truncated continuedfraction with depth=2 (i.e., the third convergent of the expansion). Also for He, we have found an interesting depth=0 result, a Dirichlet polynomial of the form k1 6−r +k2 48−r +k3 72−r (with k1,k2,k3 all integers), which provides a surprisingly good fit notonly in the attractive but also in the repulsive region.
We also discuss lessons learned while facing the surprisingly challenging non-linear optimization tasks involved in fitting theseapproximations and opportunities for parallelization.
Significant contribution of internal variability to recent Barents-Kara sea ice loss in winter
Authors: Siew Peter Yu Feng , Wu Yutian , Ting Mingfang , Zheng Cheng , Ding Qinghua , Seager Richard 
Published: December 2023

Abstract

The Arctic has experienced a rapid sea ice loss in the Barents and Kara Seas in winter over the satellite era, primarily attributed to anthropogenic warming with a minor contribution from internal climate variability, though a precise estimate of their relative contribution remains unclear. Here, using large ensemble simulations and machine-learning techniques, we successfully reproduce wintertime Barents-Kara sea ice trends as the joint impact of anthropogenic and internal atmospheric variability components. The most dramatic sea ice loss over recent decades (1997-2017) is significantly contributed to by atmospheric circulation (>50%), with anthropogenic forcing contributing to the remainder. We further show that the circulation trends responsible for significant sea ice loss in this period largely arise from internal atmospheric processes rather than decadal variability of the oceans or Arctic sea ice feedback. Overall, this study highlights that internal variability plays a more important role in recent winter Arctic sea ice loss than previously thought, and has implications for Arctic sea ice projections and the use of machine learning methods in future attribution studies.
Wolbachia strain diversity in a complex group of sympatric cryptic parasitoid species
Authors: Valerio Federica , Martel Cornelia , Stefanescu Constanti , Nouhuys Saskya van , Kankare Maaria , Duplouy Anne 
Published: December 2023

Abstract

Background
Maternally-inherited symbionts can induce pre-mating and/or post-mating reproductive isolation between sympatric host lineages, and speciation by modifying host reproductive phenotypes. The large parasitoid wasp genus Cotesia (Braconidae) includes a diversity of cryptic species, each specialized in parasitizing one to few related Lepidoptera host species. Here, we characterized the infection status of an assemblage of 21 Cotesia species by several microbial symbionts, as a step towards testing whether symbionts might provide a barrier to gene flow between the parasitoid host lineages.
Results
The symbiotic microbes Arsenophonus, Cardinium, Microsporidium and Spiroplasma were not detected in the Cotesia wasps. However, the endosymbiotic bacterium Wolbachia was present in at least eight Cotesia species. Some of the closely related Cotesia species carry similar Wolbachia strains, but most Wolbachia strains showed patterns of horizontal transfer between phylogenetically distant host lineages.
Conclusions
Consequently, we did not detect co-phylogenetic signals, suggesting Wolbachia is not a strictly obligatory beneficial symbiont in these insects. Instead, as a potential facultative symbiont of Cotesia species, Wolbachia may still function as a key-player in the biology of the parasitoid wasps, but its role in the evolution of this complex clade of cryptic species remains to be further investigated.
Asthma in young children in Uganda: caregivers’ and healthcare workers’ understanding and practices in diagnosis and management. A FRESHAIR qualitative study
Authors: Nantanda Rebecca , Najjingo Irene , Kjærgaard Jesper , Reventlow Susanne , Ndekyezi Denis , Ssemata Andrew , Østergaard Marianne 
Published: December 2023

Abstract
Asthma is the commonest chronic childhood illness but in young children, it is under/mis-diagnosed leading to avoidable morbidity and mortality. We explored the caregivers’ and health care providers’ understanding and practices around diagnosis and management of asthma in children less than 5 years, and how they contribute to diagnostic delays and inappropriate care of the affected children. Semi-structured interviews with 17 healthcare providers and 8 caregivers were conducted. Data were thematically analysed. Most caregivers described their children as having recurrent cough, difficult breathing, and wheezing, commonly triggered by a common cold and cold weather. They visited several health facilities but were not told the diagnosis and often ineffective antibiotics and cough syrups were prescribed/used. Family social and economic stress and frustration with the healthcare system was common. Healthcare providers never considered asthma in children with recurrent respiratory symptoms but primarily diagnosed pneumonia and prescribed antibiotics. Tuberculos and malaria were suspected in some children with recurrent respiratory illness, and malaria medicine was prescribed. Recurrent respiratory symptoms without respiratory distress were regarded as a simple illness. In conclusion, the study identified major gaps in understanding of asthma symptoms amongst healthcare providers leading to misdiagnosis and mistreatment of children with asthma. Caregivers carefully and comprehensively describe asthma symptoms, but the health system is not responsive to their needs that could help in diagnosis of asthma and appropriate care.
A New Guaianolide-type Sesquiterpenoid and Xanthine Oxidase Inhibitory Activity from Chrysanthemum sinense Flowers
Authors: Quang Ton That , Mai Nguyen Thi Thanh , Tho Le Huu , Truong Do Van Nhat , Thao Vu Mai , Yen Duong Thi Hai , Kiem Phan Van , Tai Bui Huu Huu , Hang Nguyen Thi Minh , Nhiem Nguyen Xuan 
Published: December 2023

Abstract
The ethanol extract of C. sinense flowers was found to inhibit xanthine oxidase with IC50 value of 8.20 ± 1.36 µg/mL. Using various chromatographic methods, one new guaianolide-type sesquiterpenoid, chrysanoside K (1), along with seventeen known compounds, cumabrin B (2), angeloylcumabrin B (3), 3α-chloro-4 β,10α-dihydroxy-1β,2β-epoxy-5α,7αH-guai-11(13)-en-12,6α-olide (4), zawadskinolide B (5), jaceidin (6), quercetagetin 3,6,3ʹ,4ʹ-tetramethyl ether (7), tilianin (8), apigenin 7-O-β-D-glucopyranoside (9), apigenin 7-rutinoside (10), linarin (11), eriodictyol 7-O-β-D-glucopyranoside (12), naringenin 7-O-β-D-glucopyranoside (13), (9E)-4-oxo-7-hydroxy-11-hydroperoxy-bisabola-2,9-diene (14), indicumenone (15), indicumenone 11-methyl ether (16), 7-hydroxy-3,10-bisaboladien-2-one (17), and 5-acetoxy-9-oxonerodidol (18) were isolated from the flowers of Chrysanthemum sinense Sabine. Their structures were elucidated by spectroscopic methods and compared with those reported in the literature. All isolated compounds were evaluated for their inhibitory effect on xanthine oxidase activity. As results, compounds 6, 7, and 9 significantly inhibited xanthine oxidase activity with IC50 values of 1.08 ± 0.16, 8.59 ± 1.09, and 5.93 ± 0.45 µM, respectively.
Partitioning and aggregating cross-tissue and tissue-specific genetic effects in identifying gene-trait associations
Authors: Liu Jun , Song Shuang , Wang Lijun , Hou Lin 
Published: December 2023

Abstract

Transcriptome-wide association studies (TWAS) have shown great promises in extending GWAS loci to a functional understanding of disease mechanisms. In an effort to fully unleash the TWAS and GWAS information, we propose MTWAS, a statistical framework that partitions and aggregates cross-tissue and tissue-specific genetic effects in identifying gene-trait associations. Different from previous methods, we introduce a non-parametric imputation strategy to augment the inaccessible tissues, which allows for barren conditions, such as complex interactions and non-linear expression data structure across tissues. We further classify eQTLs into cross-tissue eQTLs (ct-eQTLs) and tissue-specific eQTLs (ts-eQTLs) via a step-wise procedure based on the extended Bayesian information criterion, which was consistent under high-dimensional settings. We have shown that MTWAS significantly improves the imputation accuracy across all 47 GTEx tissues compared with other single-tissue and multi-tissue methods, such as PrediXcan and UTMOST. MTWAS also identifies more predictable genes that can be replicated with independent studies. Applications to 84 UKBB GWAS studies have provided novel insights into disease etiology. The R package implementing MTWAS is available at https://github.com/szcf-weiya/MTWAS.
Precision mapping and expression analysis of recessive bacterial blight resistance gene xa-45(t) from Oryza glaberrima
Authors: Babbar Ankita , Rawat Nidhi , Kaur Pavneet , Singh Navdeep , Lore Jagjeet Singh , vikal Yogesh , neelam kumari 
Published: December 2023

Abstract

Bacterial blight, caused by Xanthomonas oryzae pv. oryzae (Xoo) is one of the most devastating diseases of rice leading to huge yield losses in Southeast Asia. The bacterial blight recessive resistance gene xa-45(t) from the Oryza glaberrima accession IRGC102600B was mapped to 80 Kb region with 9 candidate genes on Nipponbare reference genome IRGSP-1.0 on rice chromosome 8. The aim of this study was to precisely locate the target gene by utilizing a recombinant inbred line (RIL) population developed from a cross between Pusa 44 (susceptible parent) and an introgression line IL274 (resistant parent). The sequence comparisons between Pusa 44 and IL274 at 9 candidate genes, revealed 7 SNPs and an Indel that were preceded for the marker development. The dCAPS assay revealed 3 recombinant breakpoints for the locus LOC_Os08g42350, LOC_Os08g42370 and LOC_Os08g42400, 15 recombinants for LOC_Os08g423420 and 24 recombinants for LOC_Os08g42440 out of 190 individuals. The Indel marker at the locus LOC_Os08g42410 was found co-segregating with the phenotype thus indicating its candidacy towards xa-45(t). Further, relative expression analysis of the candidate genes at 6-time intervals (0, 8, 24, 48, 72 and 96 hrs) of BB infection showed overexpression of LOC_Os08g42410 specific transcripts in IL274 as compared to Pusa44. At 72 hours after inoculation, a significant 4.46-fold increase in differential expression was observed, providing strong evidence for the involvement of LOC_Os08g42410 in the resistance conferred by the bacterial blight gene xa-45(t).
Assessment of the accuracy of tooth widths measured by the ATD software
Authors: Guo Kai , Qin Qianyi , Lu Wenhsuan , Ma Haojie , Hou Yingyue , Shang Wenjia , Wang Yujue , Huang Luyan , Han Bing , Yang Fanghong 
Published: December 2023

Abstract
Background
The clinical software is widely used in measuring digital models. This study assessed the precision of the ATD clinical software (Angelalign Technology) in measuring tooth widths on digital models with different degrees of crowding.
Methods
Twenty-eight extracted teeth were chosen, and their crown widths were measured using a caliper. The teeth were arranged on an edentulous jaw model to mimic varying degrees of crowding: mild (≤ 4 mm), moderate (5–7 mm), and severe (≥ 8 mm). The models were scanned and digitally transformed to measure the crown widths and calculate Bolton ratios. The differences between caliper and software measurements were evaluated to assess the accuracy of the ATD software.
Results
Measurements on digital models by the ATD software exhibited excellent consistency (ICC = 0.998, = 0.997, and = 0.978 for mild, moderate, and severe crowding groups, respectively). Significant differences were observed for tooth positions 11, 13, 14, 17, 22, 23, 24, 26, 31, 32, 33, 37, 42, 43, 45, 46, and 47 among the three crowding groups. There were more dental positions with high accuracy in the severe crowding group. In both maxillary and mandibular arches, the total tooth widths measured using the clinical software were larger than the actual widths. The measurement accuracy for the sum of mandibular anterior tooth widths was significantly higher in the mild crowding group compared to the moderate and severe crowding groups. Tooth width accuracy in the anterior area was significantly higher than that in the posterior area, but there were no significant differences between maxillary and mandibular teeth. The accuracy for anterior Bolton ratio was significantly higher in the severe crowding group compared to the mild crowding group. There were no significant differences in overall Bolton ratio measurements among the three groups.
Conclusion
Although influenced by the degree of crowding, tooth widths and anterior Bolton ratios measured using ATD were highly accurate.
Assessment of Water Consumption Behavior in Single Households Using Smart Water Meters
Authors: Obaid Samim , Hosoi Kyotaro , nguyen Ngoc Minh , Yokota Kuriko , Inoue Takanobu 
Published: December 2023

Abstract
Smart water meters in households monitor hourly consumption patterns while mitigating the cost and inconvenience associated with traditional manual meters. This study comprehensively analyses 1871 households that previously used traditional manual water meters from the distribution point to the distribution area. All the households are equipped with smart water meters, and the collected data has been used for the analysis. According to the total estimated water consumption volume, 227 households were categorized as single households, further classified as single worker and nonworker households. The results indicate that single worker households peaked at 8:00, with 29 liters/h water consumption on weekdays. Consumption decreased during the day until late afternoon as households left for work. The consumption rate peaked again between 20:00 and 21:00 in the evening, averaging 32 liters/h. By contrast, in single nonworker households, the peak consumption was at 9:00 with 20 liters/h. No major changes in water consumption due to individual activities were observed throughout the afternoon. During evening times, the peak amount showed up between 19:00 and 20:00, with an average consumption of 19 liters/h. Moreover, worker single households peaked at 8:00 and 20:00 on weekdays, and at 9:00 and 19:00 on weekends. It was also revealed that worker households’ weekend water consumption was 10% more than on weekdays and 262% more between 13:00 and 16:00 hours.
Empirical verification of feeding selectivity of larval and juvenile pelagic fishes using in-situ zooplankton communities
Authors: Nakamura Masahiro , Okazaki Yuji , Yoneda Michio , Morioka Taizo , Nishibe Yuichiro , Ito Shin-ichi 
Published: December 2023

Abstract
A significant number of field researches have described the diet of larvae and juveniles of commercially important pelagic fish species. However, due to possible biases related to net sampling, including i) bycatch of target fish with prey that are not sympatrically distributed, ii) overestimation of prey that are not easily digested in the gut of target fish, and iii) regurgitation and excretion of gut contents from target fish during sampling, it is uncertain whether the results obtained from those studies truly represent the situation of live fish in the sea. Therefore, we conducted a laboratory experiment minimizing the above uncertainties in the field sampling. Hatchery-reared juvenile chub mackerel (Scomber japonicus) and larval Japanese anchovy (Engraulis japonicus) were used as experimental fish, which was fed with wild-caught zooplankton assemblages collected around Hakatajima Island in Setouchi inland sea (133.10°E, 34.20°N). The relationships between fish size and prey number in the gut, and the selectivity on each prey organism were determined. As a result, in both species, prey number and size increased with body size, and the fish showed strong selectivity for crustaceans including copepodites and adults of copepods. These results substantially support the conclusions of previous field studies.
Knowledge of Physicochemical Properties of Two Mexican Stingless Bee Honeys to Strengthen Their Biocultural Value for Indigenous Populations.
Authors: Aroche Aurora Xolalpa , Hernández-Mena David I. , Moguel-Chin Wilson I. , Peruyero Haydeé Contreras , Rivero-Cruz Blanca E. , Ortiz-Vázquez Elizabeth , Rivero-Cruz J. Fausto , M Rodrigo A. Velarde , Delgado-Suárez Enrique J. 
Published: December 2023

Abstract
Honey production in Mexico is an ancient economic, social and biocultural activity for indigenous communities, Mayas and Totonacs, among others. Stingless bee honeys are used in traditional medicine to treat gastrointestinal, respiratory, dermatological and ophthalmic ailments as it contains compounds with antioxidant, antibacterial, anti-inflammatory, and antifungal activities. Here we provide the first comprehensive physicochemical characterization of Mexican stingless bee honeys as a contribution to strengthening the practice of meliponiculture by indigenous Mayan and Totonac communities. By providing information on the main physicochemical parameters for the honeys of Melipona beecheii and Scaptotrigona mexicana, we intend to increase their commercial and biocultural value in different regions of Mexico, taking into consideration the different zootechnical management techniques used by these communities. A statistical analysis was performed to identify if there were significant differences in the physicochemical parameters evaluated. Significant differences were observed in moisture level, pH, sugar composition and HMF content; between at least two of the honeys analyzed. Furthermore, a principal component analysis confirmed these differences by showing a distinct profile for Scaptotrigona mexicana honey when compared to the honeys of two other species. Here we provide information that can be used by stingless beekeepers for the classification and characterization of the honeys they produce. This information will complement their indisputable efforts to conserve biological biodiversity, the defense of their territories, and the various ancestral practices they employ for the breeding, management, and reproduction of stingless bees. Furthermore, this information will help increase the economic sustainability of meliponiculture for these communities.
Source and level of dietary iron influences semen quality by affecting inflammation, oxidative stress and iron utilization levels in boars
Authors: Wu Yinghui , Li Yamei , Miao Yueyue , Wei Hongkui , Luo Hefeng , Ren Chunxiao , Zhang Yawei , Chen Juan , Wei Tanghong , Deng Jiyan , Peng Jian 
Published: December 2023

Abstract
Background
Boars fed a mixed form of inorganic and organic iron in excess of the NRC recommended levels still develop anemia, which suggested that the current level and form of iron supplementation in boar diets may be inappropriate. Therefore, 56 healthy boars aged 15 ~ 21 months were randomly divided into 5 groups: basal diet supplemented with 96 mg/kg ferrous sulfate (FeSO4) and 54 mg/kg glycine chelated iron (Gly-Fe, control); 80 mg/kg or 115 mg/kg Gly-Fe; 80 mg/kg or 115 mg/kg methionine hydroxyl analogue chelated iron (MHA-Fe, from Calimet-Fe) for 16 weeks. The effects of dietary iron supplementation with different sources and levels on semen quality in boars were investigated.
Results
1) Serum Fe and hemoglobin concentration were not affected by reduced dietary iron levels in the 80 mg/kg or 115 mg/kg Gly-Fe and MHA-Fe groups compared with the control group (P > 0.05). 2) Serum interleukin-6 (IL-6) and sperm malondialdehyde (MDA) levels in the 80 mg/kg or 115 mg/kg MHA-Fe groups were lower than those in the control group (P < 0.05), and higher serum superoxide dismutase levels and lower MDA levels in the 115 mg/kg MHA-Fe group (P < 0.05). 3) Boars in the 80 mg/kg or 115 mg/kg Gly-Fe and MHA-Fe groups had lower serum hepcidin (P < 0.01), ferritin (P < 0.05), and transferrin receptor (P < 0.01) concentrations, and boars in the 115 mg/kg MHA-Fe group had higher seminal plasma Fe concentrations compared with the control group. 4) Boars in the 80 mg/kg and 115 mg/kg MHA-Fe groups had lower abnormal sperm rate and in situ oscillating sperm ratio compared to the control group at weeks 12 and/or 16 of the trial. However, the effect of Gly-Fe on improving semen quality in boars was not evident. 5) Serum IL-6 level was positively correlated with hepcidin concentration (P < 0.05), which correlated with the increased abnormal sperm rate (P < 0.05). Furthermore, significant correlations were also found between indicators of iron status and oxidative stress and semen quality parameters.
Conclusions
Dietary supplementation with 80 mg/kg or 115 mg/kg MHA-Fe did not induce iron deficiency, but rather reduced serum inflammatory levels and hepcidin concentration, allevited oxidative stress, increased body iron utilization, and improved semen quality in adult boars.
Excessive Lipid Production Shapes Glioma Tumor Microenvironment
Authors: Maraqah Haitham , Aboubechara John Paul , Abu-Asab Mones , Lee Han Sung , Aboud Orwa 
Published: December 2023

Abstract
Disrupted lipid metabolism is a characteristic of gliomas. This study utilizes an ultrastructural approach to characterize the prevalence and distribution of lipids within gliomas. This study made use of tissue from IDH1 wild type (IDH1-wt) glioblastoma (n = 18) and IDH1 mutant (IDH1-mt) astrocytoma (n = 12) tumors. We uncover a prevalent and intriguing surplus of lipids. The bulk of the lipids manifested as sizable cytoplasmic inclusions and extracellular deposits in the tumor microenvironment (TME); in some tumors the lipids were stored in the classical membraneless spheroidal lipid droplets (LDs). Frequently, lipids accumulated inside mitochondria, suggesting possible dysfunction of the beta-oxidation pathway. Additionally, the tumor vasculature have lipid deposits in their lumen and vessel walls; this lipid could have shifted in from the tumor microenvironment or have been produced by the vessel-invading tumor cells. Lipid excess in gliomas stems from disrupted beta-oxidation and dysfunctional oxidative phosphorylation pathways. The implications of this lipid-driven environment include structural support for the tumor cells and protection against immune responses, non-lipophilic drugs, and free radicals.