bluuebunny/crossref_metadata_2025 huggingface dataset:
The analysis and identification of charred suspected tea remains unearthed from Warring State Period Tomb
Authors: Jiang Jianrong , Lu Guoquan , Wang Qing , Wei Shuya
Published: August 2021

Recently, a bowl containing charred suspected tea remains unearthed from the early stage of Warring States period tomb in Zoucheng City, Shandong Province, China. To identify the remains is significant for understanding the origin of tea and tea drinking culture. Scientific investigations of the remains were carried out by using calcium phytoliths analysis, Fourier transform infrared spectroscopy (FTIR), Gas Chromatograph Mass Spectrometer (GC/MS) and Thermally assisted hydrolysis—methylation Pyrolysis Gas Chromatography Mass Spectrometry (THM-Py-GC/MS) techniques. Modern tea and modern tea residue were used as reference samples. Through phytoliths analyses, calcium phytoliths identifiable from tea were determined in the archeological remains. The infrared spectra of the archaeological remains was found similar as modern tea residue reference sample. In addition, the biomarker compound of tea—caffeine was determined in the archaeological remains by THM-Py-GC/MS analysis. Furthermore, through GC/MS analysis, some compounds were found both in the archeological remains and the modern tea residue reference samples. Putting the information together, it can be concluded that the archaeological remains in the bowl are tea residue after boiling or brewing by the ancient.
Ultrasonography findings in knee osteoarthritis: a prospective observational cross-sectional study of 100 patients
Authors: Abicalaf Claudia Andreia Rabay Pimentel , Nakada Leticia Naomi , dos Santos Felipe Ricardo Aquino , Akiho Ichiro , dos Santos Artur Cesar Aquino , Imamura Marta , Battistella Linamara Rizzo
Published: August 2021

Worldwide, knee osteoarthritis (KOA) accounts for 2.2% of total years lived with disability. There is a low correlation between joint tissue damage and pain intensity. Periarticular structures may be involved and cannot be identified in X-rays. To describe the main ultrasonography (USG) changes in symptomatic patients with primary KOA; to correlate the number of USG findings with KOA severity assessed by Kellgren and Lawrence (K&L) radiological scores, with pain intensity measured by a visual analogue scale (VAS) and with functioning scores assessed with the Timed up and go test (TUG) and Western Ontario and McMaster Universities (WOMAC) questionnaire. 100 patients with primary symptomatic KOA were assessed with X-ray and USG. Quantitative and qualitative analyses were evaluated in a systematic manner. The most frequent findings were joint effusion, pes anserinus bursitis, quadriceps tendon enthesopathy, popliteal cyst, iliotibial band tendinitis and patellar tendinitis. Pearson’s correlation analysis demonstrated a significant moderate positive association between VAS scores and the number of USG findings (r = 0.36; p < 0.0001). The number of USG findings was different between K&L grades I and III (p = 0.041), I and IV (p < 0.001), and II and IV (p = 0.001, analysis of variance with Bonferroni correction). There was significant association between number of USG findings and TUG (r = 0.18; p = 0.014) and WOMAC scores for pain (r = 0.16; p < 0.029) and physical function domains (r = 0.16; p < 0.028). The most frequent USG finding was joint effusion. Periarticular structures should be explored as potential sources of pain and disability.
miR-181c-5p mediates apoptosis of vascular endothelial cells induced by hyperoxemia via ceRNA crosstalk
Authors: Wu Jizhi , Zhang Guangqi , Xiong Hui , Zhang Yuguang , Ding Gang , Ge Junfeng
Published: August 2021

Oxygen therapy has been widely used in clinical practice, especially in anesthesia and emergency medicine. However, the risks of hyperoxemia caused by excessive O2supply have not been sufficiently appreciated. Because nasal inhalation is mostly used for oxygen therapy, the pulmonary capillaries are often the first to be damaged by hyperoxia, causing many serious consequences. Nevertheless, the molecular mechanism by which hyperoxia injures pulmonary capillary endothelial cells (LMECs) has not been fully elucidated. Therefore, we systematically investigated these issues using next-generation sequencing and functional research techniques by focusing on non-coding RNAs. Our results showed that hyperoxia significantly induced apoptosis and profoundly affected the transcriptome profiles of LMECs. Hyperoxia significantly up-regulated miR-181c-5p expression, while down-regulated the expressions of NCAPG and lncRNA-DLEU2 in LMECs. Moreover, LncRNA-DLEU2 could bind complementarily to miR-181c-5p and acted as a miRNA sponge to block the inhibitory effect of miR-181c-5p on its target gene NCAPG. The down-regulation of lncRNA-DLEU2 induced by hyperoxia abrogated its inhibition of miR-181c-5p function, which together with the hyperoxia-induced upregulation of miR-181c-5p, all these significantly decreased the expression of NCAPG, resulting in apoptosis of LMECs. Our results demonstrated a ceRNA network consisting of lncRNA-DLEU2, miR-181c-5p and NCAPG, which played an important role in hyperoxia-induced apoptosis of vascular endothelial injury. Our findings will contribute to the full understanding of the harmful effects of hyperoxia and to find ways for effectively mitigating its deleterious effects.
Production, stability and degradation of Trichoderma gliotoxin in growth medium, irrigation water and agricultural soil
Authors: Jayalakshmi R. , Oviya R. , Premalatha K. , Mehetre S. T. , Paramasivam M. , Kannan R. , Theradimani M. , Pallavi M. S. , Mukherjee Prasun K. , Ramamoorthy V.
Published: August 2021

Gliotoxin produced by Trichoderma virens is inhibitory against various phytopathogenic fungi and bacteria. However, its stability in soil-ecosystem has not yet been well-defined. This study aimed to decipher its persistence and behaviour in growth media, irrigation water and soil ecosystems. Gliotoxin production was noticed at logarithmic growth phase and converted into bis-thiomethyl gliotoxin at late stationary growth phase of T. virens in acidic growth medium. But, no gliotoxin production was observed in neutral and alkaline growth medium. Gliotoxin was stable for several days in acidic water but degraded in alkaline water. Degradation of gliotoxin was more in unsterile soil than sterile soil and also that was higher under wet soil than dry soil. Degradation of gliotoxin was hastened by alkaline pH in wet soil but not in dry soil. Under unsterile soil conditions, high soil moisture increased the degradation of gliotoxin and the degradation of gliotoxin occurred quickly in alkaline soil (in 5 days) compared to acidic soil (in 10 days). Under sterile soil conditions, high soil moisture also enhanced the degradation of gliotoxin but level of degradation was less compared to unsterile conditions. Thus, gliotoxin stability is influenced mainly by the soil wetness, soil microbial community and pH conditions.
Investigating differences in village-level heterogeneity of malaria infection and household risk factors in Papua New Guinea
Authors: Gul Desmond , Rodríguez-Rodríguez Daniela , Nate Elma , Auwan Alma , Salib Mary , Lorry Lina , Keven John B. , Katusele Michelle , Rosado Jason , Hofmann Natalie , Ome-Kaius Maria , Koepfli Cristian , Felger Ingrid , Kazura James W. , Hetzel Manuel W. , Mueller Ivo , Karl Stephan , Clements Archie C. A. , Fowkes Freya J. I. , Laman Moses , Robinson Leanne J.
Published: August 2021

Malaria risk is highly heterogeneous. Understanding village and household-level spatial heterogeneity of malaria risk can support a transition to spatially targeted interventions for malaria elimination. This analysis uses data from cross-sectional prevalence surveys conducted in 2014 and 2016 in two villages (Megiar and Mirap) in Papua New Guinea. Generalised additive modelling was used to characterise spatial heterogeneity of malaria risk and investigate the contribution of individual, household and environmental-level risk factors. Following a period of declining malaria prevalence, the prevalence of P. falciparum increased from 11.4 to 19.1% in Megiar and 12.3 to 28.3% in Mirap between 2014 and 2016, with focal hotspots observed in these villages in 2014 and expanding in 2016. Prevalence of P. vivax was similar in both years (20.6% and 18.3% in Megiar, 22.1% and 23.4% in Mirap) and spatial risk heterogeneity was less apparent compared to P. falciparum. Within-village hotspots varied by Plasmodium species across time and between villages. In Megiar, the adjusted odds ratio (AOR) of infection could be partially explained by household factors that increase risk of vector exposure, such as collecting outdoor surface water as a main source of water. In Mirap, increased AOR overlapped with proximity to densely vegetated areas of the village. The identification of household and environmental factors associated with increased spatial risk may serve as useful indicators of transmission hotspots and inform the development of tailored approaches for malaria control.
Using impression data to improve models of online social influence
Authors: Liu Rui , Greene Kevin T. , Liu Ruibo , Mandic Mihovil , Valentino Benjamin A. , Vosoughi Soroush , Subrahmanian V. S.
Published: August 2021

Influence, the ability to change the beliefs and behaviors of others, is the main currency on social media. Extant studies of influence on social media, however, are limited by publicly available data that record expressions (active engagement of users with content, such as likes and comments), but neglect impressions (exposure to content, such as views) and lack “ground truth” measures of influence. To overcome these limitations, we implemented a social media simulation using an original, web-based micro-blogging platform. We propose three influence models, leveraging expressions and impressions to create a more complete picture of social influence. We demonstrate that impressions are much more important drivers of influence than expressions, and our models accurately identify the most influential accounts in our simulation. Impressions data also allow us to better understand important social media dynamics, including the emergence of small numbers of influential accounts and the formation of opinion echo chambers.
Lipidomics of facial sebum in the comparison between acne and non-acne adolescents with dark skin
Authors: Okoro Obumneme Emeka , Adenle Adebomi , Ludovici Matteo , Truglio Mauro , Marini Federico , Camera Emanuela
Published: August 2021

Lipidomics is advantageous in the study of sebum perturbations occurring in acne. An extended evaluation of the sebum lipid profiles in acne-prone sebaceous areas is lacking in dark skin. Yet, there is a void space in understanding how the building blocks of sebum lipids, i.e. individual fatty acids (FAs), are intertwined with acne-prone skin. We aimed to determine the sebum lipidome in facial areas of adolescents with and without acne in Nigeria. A cross-sectional analytical study was conducted in 60 adolescents/young adults divided in 30 acne patients (15F, 15M) and 30 age and sex-matched controls. Sebum samples obtained from foreheads and cheeks were analysed separately by gas chromatography–mass spectrometry (GCMS) and thin layer chromatography (HPTLC). Distributions of sebum components were investigated with multivariate ANOVA-simultaneous component analysis (ASCA). Sebum incretion in acne was paralleled by significantly higher abundance of triglycerides, wax esters, and squalene together with monounsaturated FAs (MUFAs), and straight chain saturated FAs (SFAs), especially those with odd-carbon chain, i.e. C13:0, C15:0, and C17:0. Profiling weight/weight percentage of individual components revealed that, in acne, the free FAs (FFAs) array was shifted towards higher relative abundance of the SFAs C15:0, C16:0, and C17:0 and lower percentage of the anteiso-branched FFAs with 12, 14, 16, and 18 carbons. In acne patients, MUFAs and PUFAs were quantitatively increased and decreased on foreheads and cheeks, respectively. Relative abundance of fatty alcohols was decreased in acne independent on the site. The results indicated that acne associates with site-specific derangement of the pathways regulating the balance among odd straight-chain and branched-chain SFAs, MUFAs, which included sapienate (C16:1n-10), PUFAs, and squalene.
Crystallisation in a two-dimensional granular system at constant temperature
Authors: Ledesma-Motolinía M. , Carrillo-Estrada J. L. , Donado F.
Published: August 2021

We study the crystallisation processes occurring in a nonvibrating two-dimensional magnetic granular system at various fixed values of the effective temperature. In this system, the energy loss due to dissipative effects is compensated by the continuous energy input coming into the system from a sinusoidal magnetic field. When this balance leads to high values of the effective temperature, no aggregates are formed, because particles’ kinetic energy prevents them from aggregating. For lower effective temperatures, formation of small aggregates is observed. The smaller the values of the applied field’s amplitude, the larger the number of these disordered aggregates. One also observes that when clusters form at a given effective temperature, the average effective diffusion coefficient decreases as time increases. For medium values of the effective temperature, formation of small crystals is observed. We find that the sixth bond-orientational order parameter and the number of bonds, when considering more than two, are very sensitive for exhibiting the order in the system, even when crystals are still very small.
First trimester pregnancy outcomes in a large IVF center from the Lombardy County (Italy) during the peak COVID-19 pandemic
Authors: Setti P. E. Levi- , Cirillo F. , Immediata V. , Morenghi E. , Canevisio V. , Ronchetti C. , Baggiani A. , Albani E. , Patrizio P.
Published: August 2021

At the beginning of 2020, the Italian Lombardy region was hit by an “epidemic tsunami” which was, at that point in time, one of the worst pandemics ever. At that moment the effects of SARS-COV 2 were still unknown. To evaluate whether the pandemic has influenced ART (Assisted Reproduction Techniques) outcomes in an asymptomatic infertile population treated at one of the major COVID-19 epicentres during the weeks immediately preceding lockdown. All ART procedures performed during two time periods were compared: November 1st, 2018 to February 28th, 2019 (non-COVID-19 risk) and November 1st, 2019 to February 29th, 2020 (COVID-19 risk). In total 1749 fresh cycles (883 non-COVID-19 risk and 866 COVID-19 risk) and1166 embryos and 63 oocytes warming cycles (538 and 37 during non-COVID and 628 and 26 during COVID-19 risk, respectively) were analysed. Clinical pregnancies per cycle were not different: 370 (25.38%) in non-COVID versus 415 (27.30%) (p = 0.237) during COVID-19 risk. There were no differences in biochemical pregnancy rates 52 (3.57%) versus 38 (2.50%) (p = 0.089) nor in ectopic pregnancies 4 (1.08%) versus 3 (0.72%) (p = 0.594), spontaneous miscarriages 84 (22.70%) versus 103 (24.82%) p = 0.487, nor in intrauterine ongoing pregnancies 282 (76.22%) versus 309 (74.46%) p = 0.569. A multivariate analysis investigating differences in spontaneous miscarriage rate showed no differences between the two timeframes. Our results support no differences in asymptomatic infertile couples’ ART outcomes between the pre COVID and COVID-19 periods in one of the earliest and most severe pandemic areas.
Rapid high-resolution melting genotyping scheme for Escherichia coli based on MLST derived single nucleotide polymorphisms
Authors: Bezdicek Matej , Nykrynova Marketa , Sedlar Karel , Kralova Stanislava , Hanslikova Jana , Komprdova Aja , Skutkova Helena , Kocmanova Iva , Mayer Jiri , Lengerova Martina
Published: August 2021

Routinely used typing methods including MLST, rep-PCR and whole genome sequencing (WGS) are time-consuming, costly, and often low throughput. Here, we describe a novel mini-MLST scheme for Eschericha coli as an alternative method for rapid genotyping. Using the proposed mini-MLST scheme, 10,946 existing STs were converted into 1,038 Melting Types (MelTs). To validate the new mini-MLST scheme, in silico analysis was performed on 73,704 strains retrieved from EnteroBase resulting in discriminatory power D = 0.9465 (CI 95% 0.9726–0.9736) for mini-MLST and D = 0.9731 (CI 95% 0.9726–0.9736) for MLST. Moreover, validation on clinical isolates was conducted with a significant concordance between MLST, rep-PCR and WGS. To conclude, the great portability, efficient processing, cost-effectiveness, and high throughput of mini-MLST represents immense benefits, even when accompanied with a slightly lower discriminatory power than other typing methods. This study proved mini-MLST is an ideal method to screen and subgroup large sets of isolates and/or quick strain typing during outbreaks. In addition, our results clearly showed its suitability for prospective surveillance monitoring of emergent and high-risk E. coli clones’.
A multiscale approach for bridging the gap between potency, efficacy, and safety of small molecules directed at membrane proteins
Authors: Aguayo-Ortiz Rodrigo , Creech Jeffery , Jiménez-Vázquez Eric N. , Guerrero-Serna Guadalupe , Wang Nulang , da Rocha Andre Monteiro , Herron Todd J. , Espinoza-Fonseca L. Michel
Published: August 2021

Membrane proteins constitute a substantial fraction of the human proteome, thus representing a vast source of therapeutic drug targets. Indeed, newly devised technologies now allow targeting “undruggable” regions of membrane proteins to modulate protein function in the cell. Despite the advances in technology, the rapid translation of basic science discoveries into potential drug candidates targeting transmembrane protein domains remains challenging. We address this issue by harmonizing single molecule-based and ensemble-based atomistic simulations of ligand–membrane interactions with patient-derived induced pluripotent stem cell (iPSC)-based experiments to gain insights into drug delivery, cellular efficacy, and safety of molecules directed at membrane proteins. In this study, we interrogated the pharmacological activation of the cardiac Ca2+ pump (Sarcoplasmic reticulum Ca2+-ATPase, SERCA2a) in human iPSC-derived cardiac cells as a proof-of-concept model. The combined computational-experimental approach serves as a platform to explain the differences in the cell-based activity of candidates with similar functional profiles, thus streamlining the identification of drug-like candidates that directly target SERCA2a activation in human cardiac cells. Systematic cell-based studies further showed that a direct SERCA2a activator does not induce cardiotoxic pro-arrhythmogenic events in human cardiac cells, demonstrating that pharmacological stimulation of SERCA2a activity is a safe therapeutic approach targeting the heart. Overall, this novel multiscale platform encompasses organ-specific drug potency, efficacy, and safety, and opens new avenues to accelerate the bench-to-patient research aimed at designing effective therapies directed at membrane protein domains.
The electrochemiluminescence coreactant accelerator of metal–organic frameworks grafted with N-(aminobutyl)-N-(ethylisoluminol) for the ultrasensitive detection of chloramphenicol
Authors: Wang Xin-Tao , Jiang Yi-Rong , Huang Li-Yan , Gu Yi-Xin , Huang Xiao-Qin , Wang Ai-Jun , Yuan Pei-Xin , Feng Jiu-Ju
Published: August 2021

The synthetic schemes of an ABEI linked MOF-Zn-1 luminophore and the construction of a label-free ECL biosensor for CAP detection.
Dipolar coupling-based electron paramagnetic resonance method for protease enzymatic characterization and inhibitor screening
Authors: Yu Lu , Liu Aokun , Zhang Bingbo , Kuang Jian , Guo Xiaoqi , Tian Changlin , Lu Yi
Published: August 2021

A dipolar coupling EPR-based method for the detection, kinetic analysis, and inhibitor screening of protease enzymatic cleavage reactions.
Binary V–Mo sulfides grown on CNTs with morphological and electronic modulation for enhanced hydrogen evolution
Authors: Ren Xianpei , Wei Qingbo , Wu Fei , Wang Yonghua , Li Qiang
Published: August 2021

Binary V–Mo sulfides on carbon nanotubes with superior electrocatalytic water splitting performance in acid media are successfully synthesized by a facile one-step sintering method.
Intrinsic defect structures of polycrystalline CaKFe4As4 superconductors
Authors: Sugali Pavan Kumar Naik , Ishida Shigeyuki , Kimoto Koji , Yanagisawa Keiichi , Kamiya Yoshihisa , Tsuchiya Yoshinori , Kawashima Kenji , Yoshida Yoshiyuki , Iyo Akira , Eisaki Hiroshi , Nishio Taichiro , Ogino Hiraku
Published: August 2021

Various intrinsic defect structures of polycrystalline CaKFe4As4 (CaK1144) superconductor were investigated probing scanning transmission electron microscopy (STEM) and correlated to their high Jc up to Tc and large applied magnetic fields.
Unravelling the role of charge transfer state during ultrafast intersystem crossing in compact organic chromophores
Authors: Lv Meng , Wang Xueli , Wang Danhong , Li Xiuhua , Liu Yangyi , Pan Haifeng , Zhang Sanjun , Xu Jianhua , Chen Jinquan
Published: August 2021

The role of the intermolecular charge transfer state during ultrafast intersystem crossing in compact chromophores is revealed by spectroscopy and theoretical investigations.
Probing β-alkyl elimination and selectivity in polyolefin hydrogenolysis through DFT
Authors: Kane Alexander Q. , Esper Alec M. , Searles Keith , Ehm Christian , Veige Adam S.
Published: August 2021

A long chain substrate with [(SiO)3ZrH] has been investigated to elucidate selectivity rules in β-alkyl elimination. DFT studies indicate that polypropylene preferentially undergoes β-Me elimination.
Synthesis of tris(3-pyridyl)aluminate ligand and its unexpected stability against hydrolysis: revealing cooperativity effects in heterobimetallic pyridyl aluminates
Authors: García-Romero Álvaro , Martín-Álvarez Jose M. , Colebatch Annie L. , Plajer Alex J. , Miguel Daniel , Álvarez Celedonio M. , García-Rodríguez Raúl
Published: August 2021

Bimetallic cooperativity provides a reason for the unexpected water stability of the tris(3-pyridyl)aluminate [EtAl(3-py)3]− (3-py = 3-pyridyl) (1), the first reported member of the anionic tris(3-pyridyl) ligand family.
A new paper-based biosensor for therapeutic drug monitoring
Authors: Lantigua Darlin , Trimper Jamie , Unal Baris , Camci-Unal Gulden
Published: August 2021

A novel paper-based microfluidic platform was developed for drug monitoring in blood for affordable and rapid detection of tacrolimus in less than 10 minutes.
Pd nanoparticles loaded onto a TiO2–C heterostructure via a photochemical strategy for efficient oxygen reduction reaction
Authors: Wu Xiaoyu , Li Qiaoling , Wang Xuewei , Xie Zhi , Yang Xiaojing , Yu Xiaofei , Zhang Xinghua , Lu Zunming , Li Lanlan
Published: August 2021

In this paper, we successfully reduced Pd to TiO2–C heterostructure (Pd/TiO2–C catalyst) by photochemical reduction method. The directional transfer of electrons from TiO2–C to Pd catalyst strengthens MA and improves the durability of ORR.
Up-conversion of lanthanide ions and down-conversion defect luminescence in BaGdF5:Yb,Er/Tm for application in anti-counterfeiting
Authors: Liu Wenjing , Zhang Wenjun , Liu Ruxin , Li Guojing
Published: August 2021

BaGdF5:Yb,Er/Tm was prepared using a one-pot hydrothermal method, and the anti-counterfeiting patterns obtained by screen printing have dual-mode luminescence.
Dynamic and mechanical evolution of an oil–water interface during bacterial biofilm formation
Authors: Rivas David P. , Hedgecock Nathan D. , Stebe Kathleen J. , Leheny Robert L.
Published: August 2021

A suite of complementary experimental techniques are employed to investigate the interplay of activity and emerging viscoelasticity during the restructuring of an oil–water interface by biofilm-forming bacteria.
Structure–property relationships of quinoxaline-based liquid crystals
Authors: Vishwakarma Vinod Kumar , Sudhakar Achalkumar Ammathnadu
Published: August 2021

In this review, the structure–property relationships of quinoxaline derivatives, with respect to the liquid crystalline properties, photophysical behavior, self-assembly, applications in organic electronics and sensing are discussed.
Shear thickening behavior in dense repulsive and attractive suspensions of hard spheres
Authors: Rathee Vikram , Monti Alessandro , Rosti Marco E. , Shen Amy Q.
Published: August 2021

Simulated particle networks (different solid colors) in a strongly attractive suspension at low shear stress. The distribution of the typical cluster size in the transient regime is more fragmented, prompting the unstable behavior of the suspension.
Artificial stabilization of the fusion pore by intra-organelle styrene–maleic acid copolymers
Authors: Caparotta Marcelo , Puiatti Marcelo , Masone Diego
Published: August 2021

SMA copolymers embedded inside the fusion pore keep its traversing water channel connected and increase its lifespan.
Structural diversity of nanoscale zirconium porphyrin MOFs and their photoactivities and biological performances
Authors: Zhou Junli , Li Yite , Wang Lei , Xie Zhigang
Published: August 2021

Porphyrinic MOF isomers with the same building blocks forming distinct topologies have been selected as ideal models to understand the structure–property relationships in vitro and in vivo.
A rosin-based dielectric polymer with intrinsic low dielectric constant and comprehensively excellent properties
Authors: Fu Fei , Shen Minggui , Wang Dan , Liu He , Shang Shibin , Hu Feilong , Song Zhanqian , Song Jie
Published: August 2021

The introduction of rosin skeletons prevents molecular stacking, and increases the free volume of the polymer, thus reducing the dielectric constant.
Synthesis and optical analyses of fluorine doped tin oxide (SnO2) nanoparticles
Authors: Karaman Tamer , Sherwani Atta ur Rehman , Can Musa Mutlu , Shawuti Shalima , Kaneko Satoru
Published: August 2021

The study was focused on to synthesis of pure and fluorine-doped SnO2 (FTO) nanoparticles by sol-gel method combining with low temperature, 300 °C, annealing process, immediately after gelation. The relationship between the structural and optical properties of FTO was investigated to understand the effects of fluorine amount on the optical transmittance ratio and configuration of electronic energy levels. Homogeneous distribution of fluorine in SnO2 lattice was observed at all synthesized FTO powders. In addition, the change in electronic energy configuration was investigated by the fluctuation from 3.85 eV to 3.64 eV in band gap energy values according to the amount of fluorine in SnO2. The optical transmittance values were observed in the range of ∼90% and 95%. Optical analysis proved that the amount of fluorine had no specific effect on the high optical transmittance performances of SnO2 particles in the visible region, however the F amount had high impact on band gap energy values due to due to varying defect intensity.
Obésité, inflammation et COVID-19 : intérêt préventif de l’alimentation cétogène ?
Authors: Charlot Anouk , Boumiza Rimel , Roux Margot , Zoll Joffrey
Published: August 2021

L’obésité est considérée comme une pandémie responsable de plusieurs millions de morts dans le monde depuis de nombreuses années. Fin 2019 est apparue la maladie à Coronavirus 2019 (COVID-19) qui a provoqué la mort de plus d’un million de personnes en moins d’un an. De nombreuses études suggèrent que l’obésité pourrait être un paramètre clé dans l’apparition des formes graves de cette maladie émergente. En effet, le SARS-CoV2 infecte l’hôte en se fixant aux récepteurs ACE2 présents à la surface des cellules et entraîne une sécrétion excessive de cytokines pro-inflammatoires notamment l’IL-1, l’IL-6 et le TNF-α qui conduisent au développement d’un syndrome de détresse respiratoire aigu (SDRA). Il paraît essentiel d’élaborer des stratégies préventives efficaces pour protéger cette partie de la population du risque de développer une forme grave de COVID-19. L’alimentation cétogène, pauvre en sucres et riche en lipides, présente d’intéressantes propriétés, à la fois pour la lutte contre l’obésité mais également contre les infections sévères. Cet article fait le point sur les dernières avancées scientifiques qui permettent d’envisager l’alimentation cétogène comme une stratégie préventive visant à diminuer le développement de l’obésité et à renforcer le système immunitaire, deux actions clés dans la lutte contre l’infection au SARS-CoV2 et le développement de formes graves de COVID-19.
Le protéasome, la seconde vie d’une cible thérapeutique validée : aspects structuraux et nouveaux inhibiteurs
Authors: Reboud-Ravaux Michèle
Published: August 2021

Le protéasome est la principale machinerie de dégradation des protéines pour toutes les cellules eucaryotes. Il est en effet impliqué dans une multitude de fonctions physiologiques. Ce rôle central dans l’homéostasie des protéines en fait une cible attractive pour des interventions thérapeutiques variées, des aberrations ayant été observées dans beaucoup de pathologies humaines. Le protéasome constitutif 26S (2,4 MDa) est formé de la particule catalytique 20S qui peut s’associer à une ou deux particules régulatrices 19S. Des analyses structurales remarquables ont permis de comprendre le fonctionnement de ce complexe multicatalytique et la régulation de la dégradation des protéines dépendant de l’ATP et de l’ubiquitine. Des changements conformationnels coordonnés de la particule régulatrice 19S permettent de coupler l’hydrolyse de l’ATP à la translocation du substrat protéique et de réguler l’ouverture du pore de la particule catalytique afin d’initier la dégradation itérative des protéines par les trois types de sites actifs. Une très grande variété d’inhibiteurs de ces activités a été découverte, qu’ils soient synthétiques ou d’origine naturelle, avec un premier succès en 2003 avec le bortezomib utilisé dans le traitement du myélome multiple, puis du lymphome du manteau. Une seconde génération d’inhibiteurs (carfilzomib et ixazomib) est employée en clinique. L’immunoprotéasome, distinct du protéasome constitutif et exprimé de manière prédominante dans les cellules immunitaires, se substitue au protéasome constitutif après induction par l’INF-γ et le TNF-α. Il devient actuellement une cible thérapeutique majeure pour traiter des cancers, des désordres auto-immuns et des troubles neurologiques à l’aide d’inhibiteurs spécifiques. Les protéasomes de certains microorganismes retiennent également l’attention en vue du développement d’inhibiteurs à visée thérapeutique. Enfin, l’activation du protéasome est une nouvelle approche pouvant aboutir au traitement des désordres protéotoxiques comme les neurodégénérescences.
Dégradation induite des protéines par des molécules PROTAC et stratégies apparentées : développements à visée thérapeutique
Authors: Reboud-Ravaux Michèle
Published: August 2021

Alors que, pour la plupart, les médicaments actuels sont de petites molécules inhibant l’action d’une protéine en bloquant un site d’interaction, la dégradation ciblée des protéines, découverte il y a une vingtaine d’annéesviales petites molécules PROTAC, connaît aujourd’hui un très grand développement, aussi bien au niveau universitaire qu’industriel. Cette dégradation ciblée permet de contrôler la concentration intracellulaire d’une protéine spécifique comme peuvent le faire les techniques basées sur les acides nucléiques (oligonucléotides antisens, ARNsi, CRISPR-Cas9). Les molécules PROTAC sont des chimères hétéro-bifonctionnelles capables de lier simultanément une protéine spécifique devant être dégradée et une E3 ubiquitine ligase. Les PROTAC sont donc capables de provoquer l’ubiquitinylation de la protéine ciblée et sa dégradation par le protéasome 26S. De nature peptidique, puis non peptidique, les PROTAC sont maintenant administrables par voie orale. Ce détournement du système ubiquitine protéasome permet aux molécules PROTAC d’élargir considérablement le champ des applications thérapeutiques puisque l’élimination de protéines dépourvues de poches ou de crevasses bien définies, dites difficiles à cibler, devient possible. Cette technologie versatile a conduit à la dégradation d’une grande variété de protéines comme des facteurs de transcription, des sérine/thréonine/tyrosine kinases, des protéines de structure, des protéines cytosoliques, des lecteurs épigénétiques. Certaines ligases telles que VHL, MDM2, cereblon et IAP sont couramment utilisées pour être recrutées par les PROTAC. Actuellement, le nombre de ligases pouvant être utilisées ainsi que la nature des protéines dégradées sont en constante augmentation. Deux PROTAC sont en étude clinique pour les cancers du sein (ARV471) et de la prostate (ARV110). La dégradation spécifique d’une protéine par le protéasome peut aussi être induite par d’autres types de molécules synthétiques : colles moléculaires, marqueurs hydrophobes, HaloPROTAC, homo-PROTAC. D’autres constituants cellulaires sont aussi éligibles à une dégradation induite : ARN-PROTAC pour les protéines se liant à l’ARN et RIBOTAC pour la dégradation de l’ARN lui-même comme celui du SARS-CoV-2. Des dégradations induites en dehors du protéasome sont aussi connues : LYTAC, pour des chimères détournant la dégradation de protéines extracellulaires vers les lysosomes, et MADTAC, pour des chimères détournant la dégradation par macroautophagie. Plusieurs techniques, en particulier des plates-formes de criblage, la modélisation mathématique et la conception computationnelle sont utilisées pour le développement de nouveaux PROTAC efficaces.
Double tunnel technique reduces technical failure during POEM in cases with severe submucosal fibrosis
Authors: Nabi Zaheer , Ramchandani Mohan , Chavan Radhika , Basha Jahangeer , Reddy Manohar , Darisetty Santosh , Reddy Nageshwar D.
Published: August 2021

Background and study aims Submucosal fibrosis (SMF) is one of the major reasons for technical failure during per-oral endoscopic myotomy (POEM). In this study, we aimed to evaluate the impact of double tunnel technique (DT-POEM) on the technical success of POEM in cases with severe SMF.

Patients and methods Data from patients with achalasia in whom SMF was encountered during POEM from Jan 2013 to Jan 2020 at our center were retrospectively evaluated. The technical success and adverse events (AEs) were analyzed and compared between cases with SMF who underwent POEM via single tunnel versus DT-POEM technique.

Results A total of 1,150 patients underwent POEM during the study period. There were 14 technical failures (1.2 %). SMF and severe SMF was found in 104 (9 %) and 21 (1.8 %) patients, respectively. The majority of patients (17, 80.9 %) with severe SMF had type I achalasia. Overall, technical failures occurred in 14 cases (1.2 %) and severe SMF resulted in the majority of the technical failures (10, 71.4 %). DT-POEM was utilized in 11 cases (52.4 %) with severe SMF. The median procedure time with DT-POEM was 150 minutes (85–210). There were no major AEs and DT-POEM was technically successful in all the patients. The technical success of POEM in cases with SMF improved after the adoption of the double tunnel technique (98.4 % vs 68.3 %, P = 0.0001).

Conclusions Severe SMF is the most common reason for technical failure during POEM. DT-POEM improves the technical success rates of POEM in patients with severe SMF.
A Giant Lymph Node—Liver Imposter
Authors: Dembla Sagar , Asif Shujaath , Singh Aniruddha P. , Sekaran Anuradha , Lakhtakia Sundeep , Reddy D. N.
Published: August 2021

Abdominal tuberculosis has insidious course and is a diagnostic challenge. Tubercular lymphadenitis is associated with constitutional symptoms and multiple enlarged lymph nodes. Isolated giant lymph nodes are rare in tuberculosis and are common in lymphoma or malignancy. Peripancreatic mass on endosonography are commonly lymph node less than 4 cm. Isolated giant nonnecrotizing lymph node can mimic liver architecture on endoscopic ultrasound but lack a biliary connection.
Dandelion seeds stay afloat with the help of vortex pairs
Authors: Bandari Anashe
Published: August 2021

When dandelion seeds are sent into the air, the interplay between their unique bristle geometry and the properties of the air around them help to keep them flying.
Influence from the electronic shell structure on the range distribution during channeling of 40–300 keV ions in 4H-SiC
Authors: Linnarsson M. K. , Vines L. , Hallén A.
Published: August 2021

Ion implantation is performed in 4H-SiC with 11B, 27Al, 31P, 51V, 71Ga, and 75As ions using energies between 40 and 300 keV at various fluences along the [000-1] or the ⟨11-2-3⟩ axes. Secondary ion mass spectrometry is utilized to determine the depth distribution of the implanted elements. A Monte Carlo binary collision approximation (MC-BCA) code for crystalline targets is then applied to explain the influence of the electronic shell structure on electronic stopping and the obtained channeled ion depth distributions. The results show that, as the atomic number increases in a row of the periodic table, i.e., as the ionic radius decreases and the electron clouds densify, the interaction with the target electrons increases and the range is reduced. The decreased range is particularly pronounced going from 27Al to 31P. The reduction in channeling depth is discussed in terms of electronic shells and can be related to the ionic radii, as defined by Kohn–Sham. It is shown that these shell effects in channeled implantations can easily be included in MC-BCA simulations simply by modifying the screening length used in the local treatment of electronic stopping in channels. However, it is also shown that, for vanadium ions with an unfilled d-shell, this simple model is insufficient to predict the electronic stopping in the channels.
Active control of separated flow on a symmetric airfoil by pitching oscillation
Authors: S. Siva Viknesh , Poddar Kamal
Published: August 2021

Experiments are conducted on the control of massively separated flow over a symmetric airfoil by imposing pitching oscillation at smaller amplitudes. Two symmetric airfoils of different thickness to chord ratios are considered to account for the effect of thickness and the stall-type on flow control. Instantaneous aerodynamic forces and moments are calculated by integrating surface and wake pressure distributions. Time-resolved particle image velocimetry and unsteady pressure measurements are carried out simultaneously to characterize the flow field over the pitching airfoil. The results presented here provide an insight into flow dynamics and the dynamic response of a stalled airfoil to pitching oscillation at different reduced frequencies. The present research adopts a dynamical system approach and attempts to estimate an optimum pitching oscillation frequency for better flow control on a stalled airfoil. The adopted methodology can be used to determine the optimal value of input parameters pertaining to flow control on a flat plate/wing by any unsteady excitation. Besides, a novel data-driven aerodynamic model has been developed on a Fourier basis for a symmetrical airfoil undergoing pitching oscillation at the post-stall regime.
Re-examination of effects of ALD high-k materials on defect reduction in SiGe metal–oxide–semiconductor interfaces
Authors: Lee Tsung-En , Toprasertpong Kasidit , Takenaka Mitsuru , Takagi Shinichi
Published: August 2021

We study the impact of the atomic layer deposition high-k gate insulators on metal–oxide–semiconductor (MOS) interface properties of Si0.78Ge0.22 gate stacks with TiN gate electrodes and the physical origins of the reduction in MOS interface defects. The SiGe MOS interface properties of TiN/Y2O3, Al2O3, HfO2, and ZrO2 gate stacks are compared over a wide range of annealing temperatures. It is found that the lowest interface trap density (Dit) is obtained by TiN/Y2O3 stacks with post-metallization annealing (PMA) at 450 °C among the gate stacks with other gate insulators. Moreover, it is revealed that less amount of GeOx in the interfacial layer leads to lower Dit and that the Y2O3 stacks yield further reduction in Dit during PMA at 450 °C. These results can be explained by the reduction in distorted Ge–O bond densities in GeOx in ILs by scavenging and annealing effects during PMA and the suppression of Ge dangling bond generation by incorporating Y atoms into GeOx during PMA at 450 °C.
Shear-thinning and shear-thickening emulsions in shear flows
Authors: Rosti Marco E. , Takagi Shu
Published: August 2021

We study the rheology of a two-fluid emulsion in semiconcentrated conditions; the solute is Newtonian while the solvent is an inelastic power-law fluid. The problem at hand is tackled by means of direct numerical simulations using the volume of fluid method. The analysis is performed for different volume fractions and viscosity ratios under the assumption of negligible inertia and zero buoyancy force. Several carrier fluids are considered encompassing both the shear-thinning and thickening behaviors. We show that the effective viscosity of the system increases for shear-thickening fluids and decreases for the shear-thinning ones for all the viscosity ratios considered. The changes in the emulsion viscosity are mainly due to modifications of the coalescence in the system obtained by changing the carrier fluid property: indeed, local large and low shear rates are found in the regions between two interacting droplets for shear-thickening and thinning fluids, respectively, resulting in increased and reduced local viscosity which ultimately affects the drainage time of the system. This process is independent of the nominal viscosity ratio of the two fluids and we show that it can not be understood by considering only the mean shear rate and viscosity of the two fluids across the domain, but the full spectrum of shear rate must be taken into account.
Species delimitation integrative approach reveals three new species in the
Authors: Mendes Cecili B. , Norenburg Jon L. , Andrade Sónia C. S.
Published: August 2021

The presence of cryptic species is fairly frequent in many invertebrate groups and even more so among invertebrates with simple morphology, such as nemerteans. Consequently, the use of molecular methods for species delimitation has become a needed tool to complement morphological analyses to better recognise such species. Nemertopsis bivittata is one example of species with subtle morphological variation, but ample geographic distribution, being a good candidate for a species complex study. Here we applied two mitochondrial genes, and 2903 single nucleotide polymorphism (SNP) variants in addition to morphological characters to investigate the presence of cryptic species among specimens previously identified as N. bivittata along the Brazilian Coast. To do so, specimens were collected at 15 different sites in the north-east, south-east and southern regions. Three new species of Nemertopsis are described based on morphological and molecular analyses: Nemertopsis caete sp. nov., Nemertopsis pamelaroeae sp. nov. and Nemertopsis berthalutzae sp. nov. The species N. pamelaroeae and N. berthalutzae present broad distributions from north-east to south-east; N. caete, however, is restricted to the north-east coast. This is the first study to use this combined approach in nemerteans and shows the advantages of integrating genomic markers with classical taxonomy, and applying objective approaches to delimiting species as independently evolving entities.
Morphology, genetics, and historical records support the synonymy of two ascidian species and suggest their spread throughout areas of the Southern Hemisphere
Authors: Taverna Anabela , de Aranzamendi María Carla , Maggioni Tamara , Alurralde Gastón , Turon Xavier , Tatián Marcos
Published: August 2021

Taxonomic uncertainties and the lack of ecological knowledge can hinder the correct identification and the assignment of biogeographic status of marine species. The ascidian Asterocarpa humilis (Heller, 1878), originally described from New Zealand, has a broad distribution in shallow temperate areas of the Southern Hemisphere, having recently colonised areas of the Northern Hemisphere. A closely related species, Cnemidocarpa robinsoni Hartmeyer, 1916, has been reported in the South-Eastern Pacific and the South-Western Atlantic, and several authors considered it a junior synonym of A. humilis. We gathered for the first time morphological and genetic data from specimens from distant areas. We studied the morphology of specimens collected at seven locations of South America. We also re-examined specimens from museum collections and revised the available literature on these species. Genetic data were obtained from specimens from Argentina and compared with available sequences of A. humilis from Chile, New Zealand, England and France. Morphological and genetic analyses showed that all compared specimens were conspecific. Furthermore, specimens from different continents shared haplotypes and exhibited low genetic distance among them. These results, the biological characteristics of this ascidian, and its longstanding presence in different habitats from disjoint areas, allow us to question its native range. We support the idea that A. humilis is a cryptogenic and neocosmopolitan species that has been transported by maritime traffic through the Southern Hemisphere, revealing frequent processes of exchange through this wide area for more than a century, with presumably associated alterations in the marine biota.
Patient Participation in Pro Re Nata Medication in Forensic Psychiatric Care: Interview Study with Patients and Nurses
Authors: Hipp Kirsi , Kangasniemi Mari
Published: August 2021

Pro re nata (PRN, as-needed) medication is commonly used in forensic psychiatric inpatient care, but little is known about the participation of patients in its prescription and administration. This study describes patient participation in PRN medication treatment in forensic psychiatric inpatient care. Data were collected during interviews with 34 inpatients and 19 registered nurses in a Finnish forensic psychiatric hospital. The data underwent inductive content analysis. We found that patient participation in PRN was related to patients’ individual needs and health conditions, and the use of PRN involved private decisions made in the social context of the ward. PRN was an integrated part of daily care, and it involved three stakeholders, namely patients, nurses, and physicians; however, the role of patients in this collaboration was undefined. The administration events for PRN were multiform, and depended on the level of agreement between patients and nurses on the need for PRN. In the future, more attention should be paid to how to motivate patients and provide them with equal opportunities to be involved in the planning of PRN, and to optimize shared decision making so that the expertise of both patients and nurses is utilized in the administration and evaluation of PRN.