bluuebunny/crossref_metadata_2025 huggingface dataset:
Discordance of peripheral artery disease diagnosis using exercise transcutaneous oxygen pressure measurement and post-exercise ankle-brachial index
Authors: Mahé G. , Catillon F. , Tollenaere Q. , Jéhannin P. , Guilcher A. , Le Pabic E. , Lesager G. , Omarjee L. , Le Faucheur A.
Published: May 2020

In patients with exertional limb symptoms and normal ankle-brachial index (ABI) at rest, exercise testing can be used to diagnose lower extremity arterial disease (LEAD). Post-exercise ABI decrease or Exercise transcutaneous oxygen pressure measurement (Exercise-TcPO2) can be used to diagnose LEAD. Objectives were (i) to assess the agreement between both methods (ii) to define the variables associated with the discordance, and (iii) to present results of healthy subjects. In this prospective cross-sectional study, patients with exertional limb symptoms and normal rest ABI were consecutively included. ABI was measured at rest and after standardized exercise protocol as well as Exercise-TcPO2. A kappa coefficient with a 95% confidence interval was used to assess the agreement between the two methods. Logistic regression analysis was performed to outline variables potentially responsible for discordance. Ninety-six patients were included. The agreement between the tests was weak with a k value of 0.23 [0.04–0.41]. Logistic regression analysis found that a medical history of lower extremity arterial stenting (odds ratio 5.85[1.68–20.44]) and age (odds ratio 1.06[1.01–1.11]) were the main cause of discordance. This study suggests that post-exercise ABI and Exercise-TcPO2 cannot be used interchangeably for the diagnosis of LEAD in patients with exertional symptoms and normal rest ABI.
Visualization of spatial and temporal temperature distributions with magnetic particle imaging for liver tumor ablation therapy
Authors: Salamon J. , Dieckhoff J. , Kaul M. G. , Jung C. , Adam G. , Möddel M. , Knopp T. , Draack S. , Ludwig F. , Ittrich H.
Published: May 2020

Temperature-resolved magnetic particle imaging (MPI) represents a promising tool for medical imaging applications. In this study an approach based on a single calibration measurement was applied for highlighting the potential of MPI for monitoring of temperatures during thermal ablation of liver tumors. For this purpose, liver tissue and liver tumor phantoms embedding different superparamagnetic iron oxide nanoparticles (SPION) were prepared, locally heated up to 70 °C and recorded with MPI. Optimal temperature MPI SPIONs and a corresponding linear model for temperature calculation were determined. The temporal and spatial temperature distributions were compared with infrared (IR) camera results yielding quantitative agreements with a mean absolute deviation of 1 °C despite mismatches in boundary areas.
The limitations of targeting MEK signalling in Glioblastoma therapy
Authors: Selvasaravanan Karthika D. , Wiederspohn Nicole , Hadzalic Amina , Strobel Hannah , Payer Christel , Schuster Andrea , Karpel-Massler Georg , Siegelin Markus D. , Halatsch Marc-Eric , Debatin Klaus-Michael , Westhoff Mike-Andrew
Published: May 2020

Glioblastoma (GB) is a highly aggressive, difficult to treat brain tumour. Successful treatment, consisting of maximal safe tumour de-bulking, followed by radiotherapy and treatment with the alkylating agent Temozolomide (TMZ), can extend patient survival to approximately 15 months. Combination treatments based on the inhibition of the PI3K pathway, which is the most frequently activated signalling cascade in GB, have so far only shown limited therapeutic success. Here, we use the clinically approved MEK inhibitor Trametinib to investigate its potential use in managing GB. Trametinib has a strong anti-proliferative effect on established GB cell lines, stem cell-like cells and their differentiated progeny and while it does not enhance anti-proliferative and cell death-inducing properties of the standard treatment, i.e. exposure to radiation or TMZ, neither does MEK inhibition block their effectiveness. However, upon MEK inhibition some cell populations appear to favour cell-substrate interactions in a sprouting assay and become more invasive in the Chorioallantoic Membrane assay, which assesses cell penetration into an organic membrane. While this increased invasion can be modulated by additional inhibition of the PI3K signalling cascade, there is no apparent benefit of blocking MEK compared to targeting PI3K.
Novel Combinatorial Regimen of Garcinol and Curcuminoids for Non-alcoholic Steatohepatitis (NASH) in Mice
Authors: Majeed Muhammed , Majeed Shaheen , Nagabhushanam Kalyanam , Lawrence Lincy , Mundkur Lakshmi
Published: May 2020

Non-alcoholic steatohepatitis (NASH) is a progressive form of Non-alcoholic fatty liver disease (NAFLD), a chronic liver disease with a significant unmet clinical need. In this study, we examined the protective effects of Garcinia indica extract standardized to contain 20% w/w of Garcinol (GIE) and 95% Curcuminoids w/w from Curcuma longa (Curcuminoids) in a Stelic animal model (STAM) of NASH. The STAM mice developed steatosis, hepatocyte ballooning, and inflammation, which were significantly reduced by the combination of GIE and Curcuminoids, resulting in a lower NAFLD activity score. The treatment reduced fibrosis as observed by Sirius red staining, liver hydroxyproline content and mRNA levels of TGF- β and collagen in the liver. Immunostaining with alpha-smooth muscle actin (α SMA) revealed a significant reduction in hepatic stellate cells. Intriguingly, the combination regimen markedly decreased the mRNA levels of MCP1 and CRP and both mRNA and protein levels of TNF-α. NF-kB, reduced the hepatic and circulating FGF21 levels and altered the nonenzymatic (glutathione) and enzymatic antioxidant markers (Glutathione peroxidase, and superoxide dismutase). Our results suggest that the combination of GIE and Curcuminoids can reduce the severity of NASH by reducing steatosis, fibrosis, oxidative stress, and inflammation. The results suggest that the combinatorial regimen could be an effective supplement to prevent the progression of liver steatosis to inflammation and fibrosis in NASH.
Osteogenic impact of pro-apoptotic caspase inhibitors in MC3T3-E1 cells
Authors: Kratochvílová Adéla , Veselá Barbora , Ledvina Vojtěch , Švandová Eva , Klepárník Karel , Dadáková Kateřina , Beneš Petr , Matalová Eva
Published: May 2020

Caspases are proteases traditionally associated with inflammation and cell death. Recently, they have also been shown to modulate cell proliferation and differentiation. The aim of the current research was to search for osteogenic molecules affected by caspase inhibition and to specify the individual caspases critical for these effects with a focus on proapoptotic caspases: caspase-2, -3, -6, -7, -8 and -9. Along with osteocalcin (Ocn), general caspase inhibition significantly decreased the expression of the Phex gene in differentiated MC3T3-E1 cells. The inhibition of individual caspases indicated that caspase-8 is a major contributor to the modification of Ocn and Phex expression. Caspase-2 and-6 had effects on Ocn and caspase-6 had an effect on Phex. These data confirm and expand the current knowledge about the nonapoptotic roles of caspases and the effect of their pharmacological inhibition on the osteogenic potential of osteoblastic cells.
Rapid event-related, BOLD fMRI, non-human primates (NHP): choose two out of three
Authors: Pelekanos Vassilis , Mok Robert M. , Joly Olivier , Ainsworth Matthew , Kyriazis Diana , Kelly Maria G. , Bell Andrew H. , Kriegeskorte Nikolaus
Published: May 2020

Human functional magnetic resonance imaging (fMRI) typically employs the blood-oxygen-level-dependent (BOLD) contrast mechanism. In non-human primates (NHP), contrast enhancement is possible using monocrystalline iron-oxide nanoparticles (MION) contrast agent, which has a more temporally extended response function. However, using BOLD fMRI in NHP is desirable for interspecies comparison, and the BOLD signal’s faster response function promises to be beneficial for rapid event-related (rER) designs. Here, we used rER BOLD fMRI in macaque monkeys while viewing real-world images, and found visual responses and category selectivity consistent with previous studies. However, activity estimates were very noisy, suggesting that the lower contrast-to-noise ratio of BOLD, suboptimal behavioural performance, and motion artefacts, in combination, render rER BOLD fMRI challenging in NHP. Previous studies have shown that rER fMRI is possible in macaques with MION, despite MION’s prolonged response function. To understand this, we conducted simulations of the BOLD and MION response during rER, and found that no matter how fast the design, the greater amplitude of the MION response outweighs the contrast loss caused by greater temporal smoothing. We conclude that although any two of the three elements (rER, BOLD, NHP) have been shown to work well, the combination of all three is particularly challenging.
Identification and Prediction of Tuberculosis in Eastern China: Analyses from 10-year Population-based Notification Data in Zhejiang Province, China
Authors: Liu Kui , Li Tao , Vongpradith Avina , Wang Fei , Peng Ying , Wang Wei , Chai Chengliang , Chen Songhua , Zhang Yu , Zhou Lin , Chen Xinyi , Bian Qiao , Chen Bin , Wang Xiaomeng , Jiang Jianmin
Published: May 2020

Tuberculosis, a severe infectious disease caused by the Mycobacterium tuberculosis, arouses huge concerns globally. In this study, a total of 331,594 TB cases in Zhejiang Province were notified during the period of 2009–2018 with the gender ratio of male to female 2.16:1. The notified TB incidences demonstrated a continuously declining trend from 75.38/100,000 to 52.25/100,000. Seasonally, the notified TB cases presented as low in January and February closely followed an apparent rise in March and April. Further stratification analysis by both genders demonstrated the double peak phenomenon in the younger population (“15–35”) and the elders (“>55”) of the whole group. Results from the rate difference (RD) analysis showed that the rising TB incidence mainly presented in the young group of “15–20” and elder group of “65–70”, implying that some implementations such as the increased frequency of checkup in specific student groups and strengthening of elder health examination could be explored and integrated into available health policy. Finally, the SARIMA (2,0,2) (0,1,1)12 was determined as the optimal prediction model, which could be used in the further prediction of TB in Zhejiang Province.
Chemical identification of an aggregation pheromone in the termite Reticulitermes speratus
Authors: Mitaka Yuki , Matsuyama Shigeru , Mizumoto Nobuaki , Matsuura Kenji , Akino Toshiharu
Published: May 2020

Social behaviours in termites are regulated by sophisticated chemical communication systems. The majority of subterranean termites continuously forage for new wood resources to expand their nesting areas; an aggregation pheromone is presumed to regulate this process. However, the chemical components of this pheromone have never been determined. We identified the chemical properties of the aggregation pheromone that signals nestmate presence and induces arrest in the termite Reticulitermes speratus. The results of gas chromatography-mass spectrometry analyses and bioassays indicated that R. speratus worker release the pheromone to their nesting site. The pheromone consists of an aromatic compound (2-phenylundecane), cuticular hydrocarbons (pentacosane and heptacosane), fatty acids (palmitic acid and trans-vaccenic acid), and cholesterol; the pheromone induces long-term aggregation at new nesting and feeding sites. Although 2-phenylundecane alone attracted workers, the combination of all six compounds showed greater arrestant activity than 2-phenylundecane alone. This suggests that 2-phenylundecane functions as an attractant, whereas the remaining five components function as arrestants. Our results indicate that foraging worker termites produce a multi-component aggregation pheromone by combining a volatile hydrocarbon and non-volatile lipids with cuticular hydrocarbons. This pheromone enables rapid, long-lasting aggregation of termite workers, which contributes to efficient feeding and colonisation of new wood. Our work furthers the understanding of chemical communication systems underlying social assembly in social insects.
The Impact of Liposomal Irinotecan on the Treatment of Advanced Pancreatic Adenocarcinoma: Real-World Experience in a Taiwanese Cohort
Authors: Su Yung-Yeh , Chiang Nai-Jung , Tsai Hui-Jen , Yen Chia-Jui , Shan Yan‐Shen , Chen Li‐Tzong
Published: May 2020

Liposomal irinotecan plus 5-fluorouracil/leucovorin (nal-IRI + 5-FU/LV) has shown to provide survival benefits for patients with gemcitabine-refractory metastatic pancreatic ductal adenocarcinoma (PDAC) in NAPOLI-1 trial, in which Asian patients experienced more hematological toxicity and subsequent dose modification. A retrospective chart review to investigate the administration pattern, therapeutic efficacy and safety profile of nal-IRI + 5-FU/LV in 44 consecutive patients with gemcitabine-refractory advanced PDAC treated between December 2016 and December 2018 in National Cheng Kung University Hospital, Taiwan. Most of them had metastatic diseases (88.6%), one-line of prior treatment (72.7%), ECOG PS 0-1 (72.7%) and starting dose of nal-IRI at 60 mg/m2 (≈52 mg/m2 irinotecan free-base) in 65.9%. The overall response rate was 9.1%. The median OS was 6.6 months for the entire cohort, and 7.8 and 2.7 months for patients of ECOG PS 0-1 and>2, respectively. The median OS of ECOG PS 0-1 patients with nal-IRI starting doses at 80 mg/m2 (≈70 mg/m2 irinotecan free-base, n = 13) and 60 mg/m2 (n = 19) were 7.5 and 8.4 months, respectively. Thirty-four percent of patients experienced manageable grade 3-4 hematological toxicity. Our results confirm the clinical benefit of nal-IRI + 5-FU/LV for patients of gemcitabine-refractory advanced PDAC with good performance status in a real-world setting.
Identification and characterisation of enteroaggregative Escherichia coli subtypes associated with human disease
Authors: Ellis Samuel J. , Crossman Lisa C. , McGrath Conor J. , Chattaway Marie A. , Hölken Johanna M. , Brett Bernard , Bundy Leah , Kay Gemma L. , Wain John , Schüller Stephanie
Published: May 2020

Enteroaggregative E. coli (EAEC) are a major cause of diarrhoea worldwide. Due to their heterogeneity and carriage in healthy individuals, identification of diagnostic virulence markers for pathogenic strains has been difficult. In this study, we have determined phenotypic and genotypic differences between EAEC strains of sequence types (STs) epidemiologically associated with asymptomatic carriage (ST31) and diarrhoeal disease (ST40). ST40 strains demonstrated significantly enhanced intestinal adherence, biofilm formation, and pro-inflammatory interleukin-8 secretion compared with ST31 isolates. This was independent of whether strains were derived from diarrhoea patients or healthy controls. Whole genome sequencing revealed differences in putative virulence genes encoding aggregative adherence fimbriae, E. coli common pilus, flagellin and EAEC heat-stable enterotoxin 1. Our results indicate that ST40 strains have a higher intrinsic potential of human pathogenesis due to a specific combination of virulence-related factors which promote host cell colonization and inflammation. These findings may contribute to the development of genotypic and/or phenotypic markers for EAEC strains of high virulence.
Invasion of Human Retinal Pigment Epithelial Cells by Porphyromonas gingivalis leading to Vacuolar/Cytosolic localization and Autophagy dysfunction In-Vitro
Authors: Arjunan Pachiappan , Swaminathan Radhika , Yuan Jessie , Al-Shabrawey Mohamed , Espinosa-Heidmann Diego G. , Nussbaum Julian , Martin Pamela M. , Cutler Christopher W.
Published: May 2020

Recent epidemiological  studies link Periodontal disease(PD) to age-related macular degeneration (AMD). We documented earlier that Porphyromonas gingivalis(Pg), keystone oral-pathobiont, causative of PD, efficiently invades human gingival epithelial and blood-dendritic cells. Here, we investigated the ability of dysbiotic Pg-strains to invade human-retinal pigment epithelial cells(ARPE-19), their survival, intracellular localization, and the pathological effects, as dysfunction of RPEs leads to AMD. We show that live, but not heat-killed Pg-strains adhere to and invade ARPEs. This involves early adhesion to ARPE cell membrane, internalization and localization of Pg within single-membrane vacuoles or cytosol, with some nuclear localization apparent. No degradation of Pg or localization inside double-membrane autophagosomes was evident, with dividing Pg suggesting a metabolically active state during invasion. We found significant downregulation of autophagy-related genes particularly, autophagosome complex. Antibiotic protection-based recovery assay further confirmed distinct processes of adhesion, invasion and amplification of Pg within ARPE cells. This is the first study to demonstrate invasion of human-RPEs, begin to characterize intracellular localization and survival of Pg within these cells. Collectively, invasion of RPE by Pg and its prolonged survival by autophagy evasion within these cells suggest a strong rationale for studying the link between oral infection and AMD pathogenesis in individuals with periodontitis.
Metabolic and Non-metabolic Roles of Pyruvate Kinase M2 Isoform in Diabetic Retinopathy
Authors: Rajala Ammaji , Soni Krutik , Rajala Raju V. S.
Published: May 2020

The main therapeutic goal for diabetic retinopathy (DR) is to prevent vision loss in patients with diabetes mellitus. Identifying the visual complications at a preclinical juncture will offer an early therapeutic window for diagnosis and intervention. Very recently, we found that pyruvate kinase M2 isoform (PKM2) regulates visual function through regulation of a key enzyme, phosphodiesterase 6β (Pde6β), involved in modulating photoreceptor functions. A recent study showed that the activation of PKM2 protects mitochondrial integrity in diabetic nephropathy. In the present study, we examined the role of PKM2 in DR in a mouse model that has both phenotypes of obesity and type II diabetes. In DR, we found decreased expression of PKM2 and Pde6β expression, but not PKM1. Consistent with decreased Pde6β expression, the db/db mice had reduced rod photoreceptor function. We found increased pyruvate kinase activity and a decreased ratio of reduced/oxidized redox in db/db mouse retina compared with control retinas. There was no significant difference in the levels of lactate between db/db and control mouse retina. Our findings suggest that reduced expression of PKM2 with unchanged PKM1 expression might be responsible for higher pyruvate kinase activity in db/db mouse retina. Our studies suggest that PKM2 has a role in DR. The results support that PKM2 may serve as a therapeutic target in the treatment of DR.
Homeostatic maintenance and age-related functional decline in the Drosophila ear
Authors: Keder Alyona , Tardieu Camille , Malong Liza , Filia Anastasia , Kashkenbayeva Assel , Newton Fay , Georgiades Marcos , Gale Jonathan E. , Lovett Michael , Jarman Andrew P. , Albert Joerg T.
Published: May 2020

Age-related hearing loss (ARHL) is a threat to future human wellbeing. Multiple factors contributing to the terminal auditory decline have been identified; but a unified understanding of ARHL - or the homeostatic maintenance of hearing before its breakdown - is missing. We here present an in-depth analysis of homeostasis and ageing in the antennal ears of the fruit fly Drosophila melanogaster. We show that Drosophila, just like humans, display ARHL. By focusing on the phase of dynamic stability prior to the eventual hearing loss we discovered a set of evolutionarily conserved homeostasis genes. The transcription factors Onecut (closest human orthologues: ONECUT2, ONECUT3), Optix (SIX3, SIX6), Worniu (SNAI2) and Amos (ATOH1, ATOH7, ATOH8, NEUROD1) emerged as key regulators, acting upstream of core components of the fly’s molecular machinery for auditory transduction and amplification. Adult-specific manipulation of homeostatic regulators in the fly’s auditory neurons accelerated - or protected against - ARHL.
The cognitive effects of an acute wild blueberry intervention on 7- to 10-year-olds using extended memory and executive function task batteries
Authors: Whyte Adrian R. , Lamport Daniel J. , Schafer Graham , Williams Claire M.
Published: May 2020

In two separate experiments, children were tested on memory and executive function task batteries. Shorter memory reaction times were observed on the visuo-spatial grid task and short executive function times were observed on congruent trials of the attention network task.
N-Doped 3D hierarchical carbon from resorcinol–formaldehyde–melamine resin for high-performance supercapacitors
Authors: Song Xuehua , Chen Qibin , Shen Enhui , Liu Honglai
Published: May 2020

N-Doped hierarchical porous carbons were fabricated by foaming and carbonizing resorcinol–formaldehyde–melamine resin and used as electrodes for flexible solid-state supercapacitors.
Engineering biosynthetic enzymes for industrial natural product synthesis
Authors: Galanie Stephanie , Entwistle David , Lalonde James
Published: May 2020

This review describes examples of the broadening industrial relevance of engineered secondary metabolism enzymes, natural products and analogs being made with these enzymes, and technology improvements that have enabled their development since 1999.
Phosphate-responsive 2D-metal–organic-framework-nanozymes for colorimetric detection of alkaline phosphatase
Authors: Wang Xiaoyu , Jiang Xiaoqian , Wei Hui
Published: May 2020

Phosphate-responsive peroxidase-mimicking two-dimensional-metal–organic-framework nanozymes were employed to develop alkaline phosphatase assays with tunable dynamic ranges and colorimetric logic gates.
A highly efficient preconcentration route for rapid and sensitive detection of endotoxin based on an electrochemical biosensor
Authors: Ma Wenrui , Liu Lulu , Xu Yi , Wang Li , Chen Li , Yan Sheng , Shui Lingling , Wang Zhijun , Li Shunbo
Published: May 2020

A microfluidic biosensor was designed for rapid and highly sensitive detection of endotoxin, which could be detected within 0.5 h and with a detection limit of 0.5 ng mL−1.
Acid–base titration using a microfluidic thread-based analytical device (μTAD)
Authors: Jarujamrus Purim , Prakobkij Akarapong , Puchum Sodsai , Chaisamdaeng Sawida , Meelapsom Rattapol , Anutrasakda Wipark , Amatatongchai Maliwan , Chairam Sanoe , Citterio Daniel
Published: May 2020

This work presents a novel analytical approach for precise and quick (within 2 minutes) determination of acid and base concentrations (of very small amount) by titration using a microfluidic thread-based analytical device (μTAD).
FRET-based fluorescent ratiometric probes for the rapid detection of endogenous hydrogen sulphide in living cells
Authors: Zhang Yuming , Chen Yuncong , Bai Yang , Xue Xuling , He Weijiang , Guo Zijian
Published: May 2020

FRET strategy was adopted for designing ratiometric fluorescent H2S sensors using Coumarin-derived merocyanine fluorophore.
Recent advances in nanomaterial-enhanced enzyme-linked immunosorbent assays
Authors: Gao Lu , Yang Qianfan , Wu Peng , Li Feng
Published: May 2020

This review highlights functional roles of nanomaterials for advancing conventional ELISA assays by serving as substrate-alternatives, enzyme-alternatives, or non-enzyme amplifiers.
Synthesis of nanoporous graphenes via decarboxylation reaction
Authors: Zhou Qiulan , Ma Yaping , Ma Xuhang , Luo Xiaohu , Zheng Shizhao , Nan Yanxia , Ou Encai , Wang Kedong , Xu Weijian
Published: May 2020

Two new crystalline structures of nanoporous graphenes were synthesized via decarboxylation reaction and provided an ideal platform for oxygen evolution reaction.
3C–, 4H–, and 6H–SiC crystal habitus and interfacial behaviours in high temperature Si-based solvents
Authors: Narumi Taka , Chaussende Didier , Yoshikawa Takeshi
Published: May 2020

We investigated the stable habit planes of 3C–, 4H– and 6H–SiC in Si and Si–Cr-based solvents using Ostwald ripening of SiC particles, and found that particle-growth behaviour varied significantly with both SiC polytypes and solvent compositions.
A vibrational spectroscopic and computational study of gaseous protonated and alkali metal cationized G–C base pairs
Authors: Cheng Ruodi , Martens Jonathan , Fridgen Travis D.
Published: May 2020

The structures and properties of metal cationized complexes of 9-ethylguanine (9eG) and 1-methylcytosine (1mC), (9eG:1mC)M+, where M+ = Li+, Na+, K+, Rb+, Cs+ as well as the protonated complex, (9eG:1mC)H+, have been studied using a combination of IRMPD spectroscopy and computational methods.
Understanding the vapochromic response of mixed copper(i) iodide/silver(i) Iodide nanoparticles toward dimethyl sulfide
Authors: Nicholas Aaron D. , Barnes Francis H. , Adams Daniel R. , Webber Matthew S. , Sturner Matthew A. , Kessler Matthew D. , Welch David A. , Pike Robert D. , Patterson Howard H.
Published: May 2020

We report on the vapochromic behavior of a series of homo- and heterometallic copper(i) iodide/silver(i) iodide nanoparticles when exposed to dimethyl sulfide (DMS) vapor.
Anomalous in-plane lattice thermal conductivity in an atomically thin two-dimensional α-GeTe layer
Authors: Marfoua Brahim , Lim Young Soo , Hong Jisang
Published: May 2020

The bilayer α-GeTe displayed an exceptionally low lattice thermal conductivity never reported in the atomically thin 2D materials.
Hybrid density functional theoretical study of NASICON-type NaxTi2(PO4)3 (x = 1–4)
Authors: Gryaznov Denis , Stauffer Shannon K. , Kotomin Eugene A. , Vilčiauskas Linas
Published: May 2020

Sodium Super Ionic Conductor (NASICON) structured NaxTi2(PO4)3 phosphate framework compounds represent a very attractive class of materials for their use as Na-ion battery electrodes.
The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems
Authors: Lonsdale Dale R. , Goerigk Lars
Published: May 2020

The one-electron self-interaction error (SIE) is analysed for 74 Density Functional Theory (DFT) approximations in a series of novel one-electron model systems revealing new aspects of the SIE that should be considered in future DFT developments.
The structures of cationic gold clusters probed by far-infrared spectroscopy
Authors: Ferrari Piero , Hou Gao-Lei , Lushchikova Olga V. , Calvo Florent , Bakker Joost M. , Janssens Ewald
Published: May 2020

Far-infrared multiple photon dissociation spectroscopy is used in combination with density functional theory calculations to determine the structures of isolated Aun+ (n ≤ 9) clusters.
Symmetry of small clusters of levitating water droplets
Authors: Fedorets Alexander A. , Bormashenko Edward , Dombrovsky Leonid A. , Nosonovsky Michael
Published: May 2020

Symmetries of levitating droplet clusters may be related to advanced mathematical concepts.
Electronic and optical properties of a Janus SnSSe monolayer: effects of strain and electric field
Authors: Nguyen Hong T. T. , Tuan Vu V. , Nguyen Chuong V. , Phuc Huynh V. , Tong Hien D. , Nguyen Son-Tung , Hieu Nguyen N.
Published: May 2020

In this paper, detailed investigations of the electronic and optical properties of a Janus SnSSe monolayer under a biaxial strain and electric field using ab initio methods are presented.
Temperature-dependent luminescence spectroscopic investigations of uranyl(vi) complexation with the halides F−and Cl−
Authors: Demnitz M. , Hilpmann S. , Lösch H. , Bok F. , Steudtner R. , Patzschke M. , Stumpf T. , Huittinen N.
Published: May 2020

Uranyl(vi) complexation with fluoride and chloride was investigated with luminescence spectroscopy, and the strong quenching by chloride was overcome by freezing.
Mechanism of CO2conversion to methanol over Cu(110) and Cu(100) surfaces
Authors: Higham Michael D. , Quesne Matthew G. , Catlow C. Richard A.
Published: May 2020

Density functional methods are applied to explore the reaction mechanism for CO2hydrogenation to methanol over low-index Cu surfaces, namely Cu(110) and Cu(100).
Green synthesis of zinc oxide particles with apple-derived compounds and their application as catalysts in the transesterification of methyl benzoates
Authors: Soliman Mohamed M. A. , Alegria Elisabete C. B. A. , Ribeiro Ana P. C. , Alves Marta M. , Saraiva Marta S. , Fátima Montemor M. , Pombeiro Armando J. L.
Published: May 2020

ZnO nanoparticles (ZnONPs) were successfully synthesized using bravo-de-esmolfe apple extract in aqueous medium at room temperature.
Catalytic exchange of hydrogen isotopes intensified by two-phase stratified flow in wettability designable microchannels
Authors: Song Yuexiao , Xin Feng , Xu Yongsheng
Published: May 2020

Liquid phase catalytic exchange of hydrogen isotopes is intensified by stratified flow in a microchannel reactor coated with hydrophobic Pt/AC/PDMS.
Development and functionalization of magnetic nanoparticles as stable and reusable catalysts for triacetin synthesis
Authors: Abida Km , Chudasama Bhupendra , Ali Amjad
Published: May 2020

Applications of magnetic nanoparticles as catalyst support has recently received great attention due to their unique properties, such as high surface area, ease of anchoring, high stability and ease of separation under an external field.
Rapid abnormal [3+2]-cycloaddition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones
Authors: Yue Guizhou , Dou Zhengjie , Zhou Zexi , Zhang Li , Feng Juhua , Chen Huabao , Yin Zhongqiong , Song Xu , Liang Xiaoxia , Wang Xianxiang , Rao Hanbing , Lu Cuifen
Published: May 2020

More than 35 new compounds were prepared rapidly in moderate to excellent yields with high diastereoselectivities by K2CO3-promoted abnormal 1,3-diploar cycloaddition of isatin N, N′-cyclic azomethine imines with chalcones.
The reaction pathway of the CO2RR to low-carbon alcohols: a theoretical study
Authors: Liu Anmin , Guan Weixin , Cao Qian , Ren Xuefeng , Gao Liguo , Zhao Qidong , Ma Tingli
Published: May 2020

Catalytic hydrogenation of CO2 to chemicals is an important approach for reducing the concentration of CO2 in the atmosphere.
Interaction-determined sensitization photodegradation of dye complexes by boron nitride under visible light irradiation: experimental and theoretical studies
Authors: Ji Xin , Guo Yong , Hua Shugui , Li Huiyan , Zhang Sunchen
Published: May 2020

In this paper, the sensitization photodegradation of single and mixed dyes by wide band gap boron nitride (BN, 3.94 eV) under visible light irradiation has been investigated for the first time.
Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes
Authors: Wang Wen-Min , Hu Xin-Yan , Yang Yang , Zhao Jia-Qi , Zhang Ya-Xin , Kang Xiao-Min , Wu Zhi-Lei
Published: May 2020

Four linear tetranuclear Dy4 complexes with different coordinated solvents exhibit distinct magnetic relaxation behaviors.
Electrochemical properties and mechanism of CoMoO4@NiWO4 core–shell nanoplates for high-performance supercapacitor electrode application studied via in situ X-ray absorption spectroscopy
Authors: Hsu Feng Hao , Hsu Su Yang , Pao Chih Wen , Chen Jeng Lung , Chen Chi Liang , Chen Jin Ming , Lu Kueih Tzu
Published: May 2020

Binary metal oxide CoMoO4@NiWO4 core–shell nanoplates possess the great electrochemical properties by synergistic effect between the two components. In-situ XAS indicates that the Co and Ni elements are simultaneously participated Faraday reaction.
Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives
Authors: Mo Zu-Yu , Wang Xin-Yu , Zhang Yu-Zhen , Yang Li , Tang Hai-Tao , Pan Ying-Ming
Published: May 2020

We have developed an efficient electrochemical method for selective functionalization ofN-acetylindole or aniline derivatives with hexafluoroisopropanol to obtain a series of hexafluoroisopropoxy indoles and anilines.
Stable antibacterial polysaccharide-based hydrogels as tissue adhesives for wound healing
Authors: Tang Xiaoxuan , Gu Xinyi , Wang Yaling , Chen Xiaoli , Ling Jue , Yang Yumin
Published: May 2020

By combination of alginate/polyacrylamide/chitosan, tough antibacterial hydrogels are designed for applications as tissues adhesives to promote wound healing.
Enhanced photodegradation of diphenhydramine in aqueous solution containing natural sand particles
Authors: Yi Chunlin , Song Lihong , Wu Qingfeng , Li Zhaohui , Zhang Weibin , Yin Ke
Published: May 2020

Natural sand particles induced the generation of free radicals under simulated solar irradiation, resulting in the enhanced photodegradation of diphenhydramine.
Correction: Insects (Thrips hawaiiensis (Morgan)) change the stereochemical configuration of 1-phenylethanol emitted from tea (Camellia sinensis) flowers
Authors: Zhou Ying , Zeng Lanting , Liao Yinyin , Dong Fang , Peng Qiyuan , Li Jianlong , Tang Jinchi , Watanabe Naoharu , Yang Ziyin
Published: May 2020

Correction for ‘Insects (Thrips hawaiiensis (Morgan)) change the stereochemical configuration of 1-phenylethanol emitted from tea (Camellia sinensis) flowers’ by Ying Zhou et al., RSC Adv., 2017, 7, 32336–32343. DOI: 10.1039/C7RA03219F.
Protease-responsive mass barcoded nanotranslators for simultaneously quantifying the intracellular activity of cascaded caspases in apoptosis pathways
Authors: Xu Hongmei , Huang Xiaodan , Zhang Zhenzhen , Zhang Xuemeng , Min Qianhao , Zhu Jun-Jie
Published: May 2020

Protease-responsive mass barcoded nanotranslators (PRMNTs) were engineered for revealing the apoptosis pathways by MS-based multiplex quantification of the intracellular activity of cascaded caspases.
Selective Fischer–Tropsch synthesis for jet fuel production over Y3+ modified Co/H-β catalysts
Authors: Yang Meng , Zhu Lingjun , Zhuo Yexin , Liang Jiacheng , Wang Shurong
Published: May 2020

Y3+, exchanged with the H protons in zeolites, decreased the acid strength of Co/Y-β-x (x = 1, 2, 3, 4) catalysts, which reduced the selectivity of gaseous hydrocarbons (C1–C4) and promoted the generation of JFRHs.
Classical and non-classical melatonin receptor agonist-directed micellization of bipyridinium-based supramolecular amphiphiles in water
Authors: Sun Zhimin , Xi Lihui , Zheng Kai , Zhang Zhao , Baldridge Kim K. , Olson Mark A.
Published: May 2020

A series of melatonin receptor agonists prove capable of templating soft matter assemblies with concomitant enhancement of the material's surface active properties in water.
Investigating the role of carbon nanotubes (CNTs) in the piezoelectric performance of a PVDF/KNN-based electrospun nanogenerator
Authors: Bairagi Satyaranjan , Ali S. Wazed
Published: May 2020

In the present study, the effect of varying the concentration of carbon nanotubes (CNTs) on the piezoelectric performance of a poly(vinylidene fluoride) (PVDF)/potassium sodium niobate (KNN)-based electrospun nanocomposite has been revealed.
Thermally assisted photocatalytic conversion of CO2–H2O to C2H4over carbon doped In2S3nanosheets
Authors: Wang Lei , Zhao Bohang , Wang Changhong , Sun Mengyao , Yu Yifu , Zhang Bin
Published: May 2020

Carbon-doped In2S3is a photocatalyst for converting CO2–H2O to C2H4without any sacrificial agents. Carbon doping can enhance water adsorption/dissociation and CO2activation and decrease energy barriers of forming CH* intermediates, resulting in high selectivity.
Surface passivation enabled-structural engineering of I-III-VI2 nanocrystal photocatalysts
Authors: Li Yuemei , Liu Jia , Wan Xiaodong , Pan Rongrong , Bai Bing , Wang Hongzhi , Cao Xingzhong , Zhang Jiatao
Published: May 2020

The reduction in In3+/Cu+ ratio and the presence of strong-binding ligand could enhance the density of surface copper vacancies and boost cation exchange reaction.
Nanofilament array embedded tungsten oxide for highly efficient electrochromic supercapacitor electrodes
Authors: Kim Jongmin , Inamdar Akbar I. , Jo Yongcheol , Cho Sangeun , Aqueel Ahmed Abu Talha , Hou Bo , Cha SeungNam , Kim Tae Geun , Kim Hyungsang , Im Hyunsik
Published: May 2020

Nanofilament array embedded metal oxide for a highly efficient electrochemical electrode.
Unique sequence-dependent properties of trinucleotide repeat monolayers: electrochemical, electrical, and topographic characterization
Authors: Asefifeyzabadi Narges , Taki Motahareh , Funneman Madison , Song Tingjie , Shamsi Mohtashim Hassan
Published: May 2020

The sequence-dependent properties of the surface-assembled trinucleotide repeat interface on a gold surface were explored by electrochemical methods and surface probe microscopy.
Seedless synthetic branched gold nanoshells for chemo-thermal antitumor therapy
Authors: Li Lei , Fu Yihan , Xu Zichuang , Zhang Xuwu , Hao Zining , He Yaqian , Gao Wenbin , Gao Dawei
Published: May 2020

The production of BGNS was demonstrated.
Structure evolution of electrochromic devices from ‘face-to-face’ to ‘shoulder-by-shoulder’
Authors: Tang Xiufeng , Chen Guoxin , Li Zhixin , Li Hua , Zhang Zehui , Zhang Qinghao , Ou Zhijun , Li Yongxian , Qi Chengjian , Luo Jianyi
Published: May 2020

This work describes systematic studies of shoulder-by-shoulder electrochromic devices to reveal their special characteristics and specific applications.
Cation doping and strain engineering of CsPbBr3-based perovskite light emitting diodes
Authors: Yang Dexin , Huo Dexuan
Published: May 2020

All-inorganic cesium lead bromide demonstrates better thermal and chemical stability compared to its hybrid counterparts, and thus it can provide a base for high stability and performance of CsPbBr3-based perovskite light emitting diodes (PeLEDs).
Tuning ambipolarity in a polymer field effect transistor using graphene electrodes
Authors: Bairagi Kaushik , Catalano Sara , Calavalle Francesco , Zuccatti Elisabetta , Llopis Roger , Casanova Fèlix , Hueso Luis E.
Published: May 2020

Polymer field-effect transistors with 2D graphene electrodes are devices that merge the best of two worlds: on the one hand, the low-cost and processability of organic materials and, on the other hand, the chemical robustness, extreme thinness and flexibility of graphene.
All-inorganic 0D/3D Cs4Pb(IBr)6/CsPbI3−xBrx mixed-dimensional perovskite solar cells with enhanced efficiency and stability
Authors: Li Zhenzhen , Liu Xiaolong , Xu Jia , Yang Shujie , Zhao Hang , Huang Hui , Liu Shengzhong (Frank) , Yao Jianxi
Published: May 2020

The inorganic halide perovskite CsPbI3 has shown great promise in efficient solar cells.
Myrrh induces the apoptosis and inhibits the proliferation and migration of gastric cancer cells through down-regulating cyclooxygenase-2 expression
Authors: Sun Mengxue , Hua Jie , Liu Gaoshuang , Huang Peiyun , Liu Ningsheng , He Xiaopu
Published: May 2020

Objective: The present study is designed to evaluate the anti-tumor effects of myrrh on human gastric cancer both in vitro and in vivo. Methods: The gastric cancer cell proliferation was determined by MTT assay. Apoptosis was measured by flow cytometry and Hoechst 33342 staining. Wound healing was performed to evaluate the effects of myrrh on the migration. COX-2, PCNA, Bcl-2, and Bax expressions were detected by Western blot analysis. A xenograft nude mice model of human gastric cancer was established to evaluate the anti-cancer effect of myrrh in vivo. Results: Myrrh significantly inhibited cellular proliferation, migration, and induced apoptosis in vitro as well as inhibited tumor growth in vivo. In addition, myrrh inhibited the expression of PCNA, COX-2, and Bcl-2 as well as increased Bax expression in gastric cancer cells. Conclusion: Myrrh may inhibit the proliferation and migration of gastric cancer cells, as well as induced their apoptosis by down-regulating the expression of COX-2.
Necessary optimality conditions for a fractional multiobjective optimization problem
Authors: Gadhi Nazih Abderrazzak , Hamdaoui Khadija , El Idrissi Mohammed , Rahou Fatima Zahra
Published: May 2020

In this paper, we are concerned with a fractional multiobjective optimization problem (P). Using support functions together with a generalized Guignard constraint qualification, we give necessary optimality conditions in terms of convexificators and the Karush–Kuhn–Tucker multipliers. Several intermediate optimization problems have been introduced to help us in our investigation.
Prophylaxe der Migräne mit monoklonalen Antikörpern gegen CGRP oder den CGRP-Rezeptor
Authors: Förderreuther Stefanie , Gaul Charly , Giese Florian , Hamann Till , Holle-Lee Dagny , Jürgens Tim P. , Kamm Katharina , Kraya Torsten , Lampl Christian , May Arne , Reuter Uwe , Scheffler Armin , Tfelt-Hansen Peer , Diener Hans-Christoph
Published: May 2020

Monoclonal antibodies against the calcitonin gene-related peptide (CGRP) receptor (erenumab) or against CGRP (eptinezumab, fremanezumab, galcanezumab) are new substances for the preventive treatment of migraine. They represent an extension of the therapeutic options which already exist in migraine prevention. In registration studies, the efficacy and good tolerability of these specific substances have been demonstrated in patients with episodic and chronic migraine. The following treatment recommendation presents a summary of the pivotal studies. Recommendations are given for the targeted selection of patients as well as for the evaluation of therapeutic success and the duration of treatment. Finally, possible restrictions in the use of this new substance group are discussed.
Intraoperative Radiation Exposure for Patients with Double-Curve Idiopathic Scoliosis in Freehand-Technique in Comparison to Fluoroscopic- and CT-Based Navigation
Authors: Berlin Clara , Quante Markus , Thomsen Björn , Köszegvary Mark , Platz Uwe , Halm Henry
Published: May 2020

Background In the operative treatment of idiopathic scoliosis, posterior correction and fusion in freehand technique is a proven procedure and is frequently performed. Malpositioned pedicle screws can result in serious neurovascular complications. Intraoperative fluoroscopy and neurophysiological measurements are performed to ensure the correct position of pedicle screws. Newer procedures with fluoroscopic- and computertomographic-assisted navigation are advertised as less dangerous and with a more accurate screw position.

Hypothesis Is the freehand technique used in the surgical treatment of idiopathic scoliosis safer than other methods with regard to complications caused by screw malposition and intraoperative radiation exposure?

Material and Methods Register data of 34 consecutive idiopathic scoliosis patients with two structural curves (Lenke 3 and 6) were collected prospectively in our scoliosis center and were retrospectively analyzed. The following parameters were evaluated: total radiation product, time of fluoroscopy, number of fused segments, time of operation, blood loss, screw-related complications and number of instrumented pedicle screws. All values were given as mean ± standard deviation and statistically analyzed. Finally, our data were compared on accuracy of screw placement and radiation exposure to data from literature with screw placement under navigation.

Results Average age at the time of surgery was 23.6 ± 12 years. The average thoracic curve was 69.2 ± 14.2° preoperatively and 21.7 ± 12.8° postoperatively (correction 69.9%), the average lumbar curve was 64.3° ± 10.8° preoperatively and corrected to 15.6 ± 10.4° postoperatively (correction 76.2%). The total radiation product per patient was 145.7 ± 86.1 cGy*cm², the time of fluoroscopy 31.7 ± 23.5 s (11.5 segments), the time of operation 267.2 ± 64.1 min and the blood loss 700.4 ± 522.3 ml. A total of 803 pedicle screws were placed. No screw-associated complications were detected in the entire collective. The comparison of our data with freehand placement of pedicle screws to literature data showed a noticeable higher radiation exposure for the patient during fluoroscopic- and computertomographic-assisted navigation.

Discussion The results showed that positioning of pedicle screws with freehand technique in patients with idiopathic scoliosis is accompanied with considerably lower intraoperative radiation exposure compared to fluoroscopic- or computertomographic-assisted navigation. An increased radiation exposure of these typically young patients is associated with an increased long-term risk for the occurrence of radiation-induced malignant diseases. With appropriate surgical experience, placement of pedicle screws in freehand technique is safe and effective and with similar accuracy than screws placed under navigation, but produces significantly less radiation exposure to the patients.
Impact of Ice Slurry Ingestion During Break-Times on Repeated-Sprint
Exercise in the Heat
Authors: Naito Takashi , Haramura Miki , Muraishi Koji , Yamazaki Misa , Takahashi Hideyuki
Published: May 2020

The study aimed to investigate the effects of ice slurry ingestion during break
times and half-time (HT) on repeated-sprint performance and core temperature in
the heat. Seven males performed two different trials as follows: ice slurry
(−1°C) or room temperature water ingestion at each break and HT
break at 36.5°C, 50% relative humidity. Participants performed
30 sets of 1-min periods of repeated- sprint exercises protocol using a cycling
ergometer. Each period consisted of 5 sec of maximal pedaling, 25 sec of
pedaling with no workload, and 30 sec of rest; two sets of exercise periods were
separated by 10 min of rest. Each break was implemented for 1 min after every 5
sets. The rectal temperature in ice slurry ingestion was significantly lower
than that of the room temperature water at 45 set (p=0.04). Total and
mean work done was greater in ice slurry ingestion compared to room temperature
water ingestion (p < 0.05). These results suggested that ice slurry
ingestion during break times and HT break may be an effective cooling strategy
to attenuate the rise of core temperature in the second half of exercise and
improve the repeated-sprint exercise capacity in the heat.
Age-related Changes in Motor Function (I). Mechanical and
Neuromuscular Factors
Authors: Wu Rui , De Vito Giuseppe , Delahunt Eamonn , Ditroilo Massimiliano
Published: May 2020

This two-part narrative review aims to provide an insight into the age-related
mechanical and neuromuscular factors contributing to: (1) decreased maximal
muscle strength and power; (2) decreased force control; and (3) increased
fatigability. Structural and functional changes from the macro-level of the
muscle-tendon unit to the micro-level of the single muscle fibre have been
reviewed and are described. At the muscle-tendon unit level, muscle volume,
thickness and cross-sectional area, as well as pennation angle and fascicle
length all decrease as part of the natural ageing process. These changes
negatively affect muscle quality, muscle and tendon stiffness and
Young’s modulus and account for impairment in motor performance. A
progressive age-related alteration in neuromuscular function is also
well-established, with reduction in number and firing rate of the motor unit,
contractile velocity and specific tension of muscle fibres, and stability of
neuromuscular junction. These could be the result of structural alterations in
the: (i) motor neuron, with number reduced, size and collateral sprouting
increased; (ii) neuromuscular junction, with decreased post-synaptic junctional
fold and density of active zones and increased pre-synaptic branching and
post-synaptic area; and (iii) muscle fibre, with decreased number and size and
increased type I and co-expression of myosin heavy chain.