bluuebunny/crossref_metadata_2025 huggingface dataset:
Author Correction: Dioscin alleviates alcoholic liver fibrosis by attenuating hepatic stellate cell activation via the TLR4/MyD88/NF-κB signaling pathway
Authors: Liu Min , Xu Youwei , Han Xu , Yin Lianhong , Xu Lina , Qi Yan , Zhao Yanyan , Liu Kexin , Peng Jinyong
Published: October 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
A new screening index to better target low-level lead exposure in Atlanta, Georgia
Authors: Distler Samantha , Saikawa Eri
Published: October 2020

Lead poisoning is often seen as a problem of the past. While acute cases are now rare, there is no known safe level of lead for children and blood lead levels at and below 5 μg/dL are associated with neurological deficits. Previous work has established that risk factors for lead exposure include race/ethnicity, poverty, Medicaid enrollment, housing built before 1950, and age. Efficient blood lead screening is crucial in the greater Atlanta area as pockets of poverty and old housing put some children at particularly high risk for chronic exposure to low levels of lead. Here, 20 years of data on children’s blood lead levels in Georgia were used to create maps to assess the spatial distribution of blood lead screening and blood lead levels in the Atlanta area. ZIP code tabulation area (ZCTA)-level screening rates continue to be associated with relative poverty but not with housing age, a well-established risk factor for lead exposure. Building on previous research, a priority screening index based on poverty and housing age was also created to identify specific high-risk census tracts for screening within Atlanta ZCTAs. This index shows a total of 18 highest-priority census tracts in the greater Atlanta area. Together, these 18 tracts contain 2715 children under six years old, 1.7% of all children under six years old in the entire greater Atlanta area.
Plastic, nutrition and pollution; relationships between ingested plastic and metal concentrations in the livers of two Pachyptila seabirds
Authors: Roman Lauren , Kastury Farzana , Petit Sophie , Aleman Rina , Wilcox Chris , Hardesty Britta Denise , Hindell Mark A.
Published: October 2020

Naturally occurring metals and metalloids [metal(loid)s] are essential for the physiological functioning of wildlife; however, environmental contamination by metal(loid) and plastic pollutants is a health hazard. Metal(loid)s may interact with plastic in the environment and there is mixed evidence about whether plastic ingested by wildlife affects metal(loid) absorption/assimilation and concentration in the body. We examined ingested plastic and liver concentration of eleven metal(loid)s in two seabird species: fairy (Pachyptila turtur) and slender-billed prions (P. belcheri). We found significant relationships between ingested plastic and the concentrations of aluminium (Al), manganese (Mn), iron (Fe), cobalt (Co), copper (Cu) and zinc (Zn) in the liver of prions. We investigated whether the pattern of significant relationships reflected plastic-metal(loid) associations predicted in the scientific literature, including by transfer of metals from ingested plastics or malnutrition due to dietary dilution by plastics in the gut. We found some support for both associations, suggesting that ingested plastic may be connected with dietary dilution / lack of essential nutrients, especially iron, and potential transfer of zinc. We did not find a relationship between plastic and non-essential metal(loid)s, including lead. The effect of plastic was minor compared to that of dietary exposure to metal(oid)s, and small plastic loads (< 3 items) had no discernible link with metal(loid)s. This new evidence shows a relationship between plastic ingestion and liver metal(loid) concentrations in free-living wildlife.
Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
Authors: Aguilera-Mendoza Longendri , Marrero-Ponce Yovani , García-Jacas César R. , Chavez Edgar , Beltran Jesus A. , Guillen-Ramirez Hugo A. , Brizuela Carlos A.
Published: October 2020

The increasing interest in bioactive peptides with therapeutic potentials has been reflected in a large variety of biological databases published over the last years. However, the knowledge discovery process from these heterogeneous data sources is a nontrivial task, becoming the essence of our research endeavor. Therefore, we devise a unified data model based on molecular similarity networks for representing a chemical reference space of bioactive peptides, having an implicit knowledge that is currently not explicitly accessed in existing biological databases. Indeed, our main contribution is a novel workflow for the automatic construction of such similarity networks, enabling visual graph mining techniques to uncover new insights from the “ocean” of known bioactive peptides. The workflow presented here relies on the following sequential steps: (i) calculation of molecular descriptors by applying statistical and aggregation operators on amino acid property vectors; (ii) a two-stage unsupervised feature selection method to identify an optimized subset of descriptors using the concepts of entropy and mutual information; (iii) generation of sparse networks where nodes represent bioactive peptides, and edges between two nodes denote their pairwise similarity/distance relationships in the defined descriptor space; and (iv) exploratory analysis using visual inspection in combination with clustering and network science techniques. For practical purposes, the proposed workflow has been implemented in our visual analytics software tool (http://mobiosd-hub.com/starpep/), to assist researchers in extracting useful information from an integrated collection of 45120 bioactive peptides, which is one of the largest and most diverse data in its field. Finally, we illustrate the applicability of the proposed workflow for discovering central nodes in molecular similarity networks that may represent a biologically relevant chemical space known to date.
InP/ZnS quantum dots doped blue phase liquid crystal with wide temperature range and low driving voltage
Authors: Tang Jiayue , Liu Fashun , Lu Mengli , Zhao Dongyu
Published: October 2020

Blue-phase liquid crystals (BPLCs) are regarded as potential materials for the exploitation of next-generation optical devices due to the rapid response, wide viewing angle, and simple industrial production procedures. However, practical application of traditional BPLCs is limited by their narrow temperature range and high driving voltage. Herein, we demonstrated that doping of chiral molecular isosorbide hexyloxybenzoate (R811) into BPLCs is able to increase the temperature range. More importantly, addition of InP/ZnS quantum dots (QDs) with oleylamine surface groups could also effectively broaden the temperature range of the BPLCs further while decreasing the driving voltage, which is attributed to the quantum dot trapped by BPLCs lattice defect that reduces its free energy. Since the trapped quantum dot subsequently forms a local electric field under electric field, the effective electric field of the surrounding liquid crystal molecules is enhanced and the rotation of the liquid crystal molecules is accelerated. Specially, the temperature range is widened by 1.4 °C, and the driving voltage is reduced by 57%, under the optimal concentration of R811 and lnP/ZnS QDs. The accomplishment we proposed in this work is a prospective optimization which makes the practical application of blue phase liquid crystals one step closer.
Relationship between media multitasking and functional connectivity in the dorsal attention network
Authors: Kobayashi Kei , Oishi Naoya , Yoshimura Sayaka , Ueno Tsukasa , Miyagi Takashi , Murai Toshiya , Fujiwara Hironobu
Published: October 2020

With the development of digital technology, media multitasking behaviour, which is using two or more media simultaneously, has become more commonplace. There are two opposing hypotheses of media multitasking with regard to its impact on attention. One hypothesis claims that media multitasking can strengthen attention control, and the other claims heavy media multitaskers are less able to focus on relevant tasks in the presence of distractors. A total of 103 healthy subjects took part in this study. We measured the Media Multitasking Index (MMI) and subjects performed the continuous performance test. Resting state and oddball task functional MRI were conducted to analyse functional connectivity in the dorsal attention network, and the degree centrality (DC) was calculated using graph theory analysis. We found that the DCs in the dorsal attention network were higher during resting state than during the oddball task. Furthermore, the DCs during the task were positively correlated with the MMI. These results indicated that the DC reduction from resting state to the oddball task in high media multitaskers was attenuated compared with low media multitaskers. This study not only reveals more about the neurophysiology of media multitasking, but could also indicate brain biomarkers of media multitasking behaviour.
Development and external validation of a clinical prediction model for MRSA carriage at hospital admission in Southeast Lower Saxony, Germany
Authors: Raschpichler Gabriele , Raupach-Rosin Heike , Akmatov Manas K. , Castell Stefanie , Rübsamen Nicole , Feier Birgit , Szkopek Sebastian , Bautsch Wilfried , Mikolajczyk Rafael , Karch André
Published: October 2020

In countries with low endemic Methicillin-resistant Staphylococcus aureus (MRSA) prevalence, identification of risk groups at hospital admission is considered more cost-effective than universal MRSA screening. Predictive statistical models support the selection of suitable stratification factors for effective screening programs. Currently, there are no universal guidelines in Germany for MRSA screening. Instead, a list of criteria is available from the Commission for Hospital Hygiene and Infection Prevention (KRINKO) based on which local strategies should be adopted. We developed and externally validated a model for individual prediction of MRSA carriage at hospital admission in the region of Southeast Lower Saxony based on two prospective studies with universal screening in Braunschweig (n = 2065) and Wolfsburg (n = 461). Logistic regression was used for model development. The final model (simplified to an unweighted score) included history of MRSA carriage, care dependency and cancer treatment. In the external validation dataset, the score showed a sensitivity of 78.4% (95% CI: 64.7–88.7%), and a specificity of 70.3% (95% CI: 65.0–75.2%). Of all admitted patients, 25.4% had to be screened if the score was applied. A model based on KRINKO criteria showed similar sensitivity but lower specificity, leading to a considerably higher proportion of patients to be screened (49.5%).
Natural convection of $$\mathrm {Al}_{2}\mathrm {O}_{3}$$-water nanofluid in a non-Darcian wavy porous cavity under the local thermal non-equilibrium condition
Authors: Alsabery Ammar I. , Tayebi Tahar , Chamkha Ali J. , Hashim Ishak
Published: October 2020

This study investigates thermal natural convective heat transfer in a nanofluid filled-non-Darcian porous and wavy-walled domain under the local thermal non-equilibrium condition. The considered cavity has corrugated and cold vertical walls and insulated horizontal walls except the heated part positioned at the bottom wall. The transport equations in their non-dimensional model are numerically solved based on the Galerkin finite-element discretization technique. The dimensionless governing parameters of the present work are the nanoparticle in volume concentration, the Darcy number, number of undulations, modified heat conductivity ratio, dimensionless heated part length, and location. Comparisons with other published theoretical and experimental results show good agreement with the present outcomes. The findings indicate that the heater length, its position, and the waves number on the side vertical walls as well as the nanoparticles concentration can be the control parameters for free convective motion and heat transport within the wavy cavity.
Phylogenetic and biochemical analysis of calsequestrin structure and association of its variants with cardiac disorders
Authors: Wang Qian , Paskevicius Tautvydas , Filbert Alexander , Qin Wenying , Kim Hyeong Jin , Chen Xing-Zhen , Tang Jingfeng , Dacks Joel B. , Agellon Luis B. , Michalak Marek
Published: October 2020

Calsequestrin is among the most abundant proteins in muscle sarcoplasmic reticulum and displays a high capacity but a low affinity for Ca2+ binding. In mammals, calsequestrin is encoded by two genes, CASQ1 and CASQ2, which are expressed almost exclusively in skeletal and cardiac muscles, respectively. Phylogenetic analysis indicates that calsequestrin is an ancient gene in metazoans, and that the duplication of the ancestral calsequestrin gene took place after the emergence of the lancelet. CASQ2 gene variants associated with catecholaminergic polymorphic ventricular tachycardia (CPVT) in humans are positively correlated with a high degree of evolutionary conservation across all calsequestrin homologues. The mutations are distributed in diverse locations of the calsequestrin protein and impart functional diversity but remarkably manifest in a similar phenotype in humans.
Research on multi-effect evaporation salt prediction based on feature extraction
Authors: Chen Bo-Lun , Hua Yong , Zhu Guo-Chang , Ji Min , Zhu Hong-Fei , Yu Yong-Tao
Published: October 2020

In the multi-effect evaporation salt making process, the smooth operation of the salt making process is crucial. As the salt production process continues, many unstable factors will cause the salt production process not to proceed smoothly. These factors can be discovered in advance by predicting the salt production data, thus, it is of great significance to predict the multi-effect evaporation salt production data. In the process of multi-effect evaporation and salt production, the multiple salt-making devices make the influence between the parameters closer, and the influence of a single parameter on itself is sometimes ductile. Therefore, the data of multi-effect evaporation and salt production have the characteristics of high dimensions, high complexity and temporal information. If the historical salt production data is used for data prediction directly, the prediction model will take a long time and the prediction effect is not good. Thus, how to predict the multi-effect evaporation salt production data is the main research problem of this paper. In view of the above problems, according to the characteristics of multi-effect evaporation salt production data, this paper analyzes and improves the self encoder for feature extraction of multi effect-evaporation salt production data, so as to solve the problem of high dimensions and high complexity of salt production data. On this basis, combined with the time-series information contained in the salt production data, a multi-effect evaporation salt production data prediction model is proposed based on long-term and short-term memory cycle neural network to solve the prediction problem of time-series salt production data. Experiments show that the prediction model can predict and prevent the problems in salt production line in advance. It has a certain theoretical research value and application value in the intelligent production process and production line optimization of salt chemical industry.
Nanoscale flow cytometry reveals interpatient variability in HIV protease activity that correlates with viral infectivity and identifies drug-resistant viruses
Authors: Bonar Michał M. , Tabler Caroline O. , Haqqani Aiman A. , Lapointe Lauren E. , Galiatsos Jake A. , Joussef-Piña Samira , Quiñones-Mateu Miguel E. , Tilton John C.
Published: October 2020

HIV encodes an aspartyl protease that is activated during, or shortly after, budding of viral particles from the surface of infected cells. Protease-mediated cleavage of viral polyproteins is essential to generating infectious viruses, a process known as ‘maturation’ that is the target of FDA-approved antiretroviral drugs. Most assays to monitor protease activity rely on bulk analysis of millions of viruses and obscure potential heterogeneity of protease activation within individual particles. In this study we used nanoscale flow cytometry in conjunction with an engineered FRET reporter called VIral ProteasE Reporter (VIPER) to investigate heterogeneity of protease activation in individual, patient-derived viruses. We demonstrate previously unappreciated interpatient variation in HIV protease processing efficiency that impacts viral infectivity. Additionally, monitoring of protease activity in individual virions distinguishes between drug sensitivity or resistance to protease inhibitors in patient-derived samples. These findings demonstrate the feasibility of monitoring enzymatic processes using nanoscale flow cytometry and highlight the potential of this technology for translational clinical discovery, not only for viruses but also other submicron particles including exosomes, microvesicles, and bacteria.
Automated feature quantification of Lipiodol as imaging biomarker to predict therapeutic efficacy of conventional transarterial chemoembolization of liver cancer
Authors: Stark Sophie , Wang Clinton , Savic Lynn Jeanette , Letzen Brian , Schobert Isabel , Miszczuk Milena , Murali Nikitha , Oestmann Paula , Gebauer Bernhard , Lin MingDe , Duncan James , Schlachter Todd , Chapiro Julius
Published: October 2020

Conventional transarterial chemoembolization (cTACE) is a guideline-approved image-guided therapy option for liver cancer using the radiopaque drug-carrier and micro-embolic agent Lipiodol, which has been previously established as an imaging biomarker for tumor response. To establish automated quantitative and pattern-based image analysis techniques of Lipiodol deposition on 24 h post-cTACE CT as biomarker for treatment response. The density of Lipiodol deposits in 65 liver lesions was automatically quantified using Hounsfield Unit thresholds. Lipiodol deposition within the tumor was automatically assessed for patterns including homogeneity, sparsity, rim, and peripheral deposition. Lipiodol deposition was correlated with enhancing tumor volume (ETV) on baseline and follow-up MRI. ETV on baseline MRI strongly correlated with Lipiodol deposition on 24 h CT (p < 0.0001), with 8.22% ± 14.59 more Lipiodol in viable than necrotic tumor areas. On follow-up, tumor regions with Lipiodol showed higher rates of ETV reduction than areas without Lipiodol (p = 0.0475) and increasing densities of Lipiodol enhanced this effect. Also, homogeneous (p = 0.0006), non-sparse (p < 0.0001), rim deposition within sparse tumors (p = 0.045), and peripheral deposition (p < 0.0001) of Lipiodol showed improved response. This technical innovation study showed that an automated threshold-based volumetric feature characterization of Lipiodol deposits is feasible and enables practical use of Lipiodol as imaging biomarker for therapeutic efficacy after cTACE.
Anti-cancer potential of persimmon (Diospyros kaki) leaves via the PDGFR-Rac-JNK pathway
Authors: Kim Heon-Su , Suh Jung-Soo , Jang Yoon-Kwan , Ahn Sang-Hyun , Raja Ganesan , Kim Jin-Chul , Jung Youngmi , Jung Sang Hoon , Kim Tae-Jin
Published: October 2020

Persimmon leaves are known to have some beneficial effects, including ROS elimination, lipid circulation, and neuronal protection. However, their anti-cancer properties and the underlying mechanisms remain unclear. Herein, we show that treatment with the ethanol extract of persimmon, Diospyros kaki, leaves (EEDK) induces cancer cell death and inhibits cell proliferation. Using fluorescence resonance energy transfer (FRET) technology with genetically-encoded biosensors, we first found that EEDK stimulates a PDGFR-Rac signaling cascade in live cells. Moreover, we found that downstream of the PDGFR-Rac pathway, JNKs are activated by EEDK. In contrast, JNK-downstream inhibitors, such as CoCl2, T-5224, and pepstatin A, attenuated EEDK-induced cell death. Thus, we illustrate that the PDGFR-Rac-JNK signaling axis is triggered by EEDK, leading to cancer cell death, suggesting the extract of persimmon leaves may be a promising anti-cancer agent.
Low dose amiodarone reduces tumor growth and angiogenesis
Authors: Steinberg Eliana , Fluksman Arnon , Zemmour Chalom , Tischenko Katerina , Karsch-Bluman Adi , Brill-Karniely Yifat , Birsner Amy E. , D’Amato Robert J. , Benny Ofra
Published: October 2020

Amiodarone is an anti-arrhythmic drug that was approved by the US Food and Drug Administration (FDA) in 1985. Pre-clinical studies suggest that Amiodarone induces cytotoxicity in several types of cancer cells, thus making it a potential candidate for use as an anti-cancer treatment. However, it is also known to cause a variety of severe side effects. We hypothesized that in addition to the cytotoxic effects observed in cancer cells Amiodarone also has an indirect effect on angiogensis, a key factor in the tumor microenvironment. In this study, we examined Amiodarone's effects on a murine tumor model comprised of U-87 MG glioblastoma multiforme (GBM) cells, known to form highly vascularized tumors. We performed several in vitro assays using tumor and endothelial cells, along with in vivo assays utilizing three murine models. Low dose Amiodarone markedly reduced the size of GBM xenograft tumors and displayed a strong anti-angiogenic effect, suggesting dual cancer fighting properties. Our findings lay the ground for further research of Amiodarone as a possible clinical agent that, used in safe doses, maintains its dual properties while averting the drug’s harmful side effects.
A biphasic navigational strategy in loggerhead sea turtles
Authors: Luschi Paolo , Sözbilen Dogan , Cerritelli Giulia , Ruffier Franck , Başkale Eyup , Casale Paolo
Published: October 2020

The homing journeys of nine loggerhead turtles translocated from their nesting beach to offshore release sites, were reconstructed through Argos and GPS telemetry while their water-related orientation was simultaneously recorded at high temporal resolution by multi-sensor data loggers featuring a three-axis magnetic sensor. All turtles managed to return to the nesting beach area, although with indirect routes encompassing an initial straight leg not precisely oriented towards home, and a successive homebound segment carried out along the coast. Logger data revealed that, after an initial period of disorientation, turtles were able to precisely maintain a consistent direction for several hours while moving in the open sea, even during night-time. Their water-related headings were in accordance with the orientation of the resulting route, showing little or no effect of current drift. This study reveals a biphasic homing strategy of displaced turtles involving an initial orientation weakly related to home and a successive shift to coastal navigation, which is in line with the modern conceptual framework of animal migratory navigation as deriving from sequential mechanisms acting at different spatial scales.
In vitro activity of biofilm inhibitors in combination with antibacterial drugs against extensively drug-resistant Acinetobacter baumannii
Authors: Peng Qin , Lin Fei , Ling Baodong
Published: October 2020

Acinetobacter baumannii is a common pathogen of nosocomial infection, and its ability to form biofilms further contributes to its virulence and multidrug resistance, posing a great threat to global public health. In this study, we investigated the inhibitory effects of five biofilm inhibitors (BFIs) (zinc lactate, stannous fluoride, furanone, azithromycin, and rifampicin) on biofilm formation of nine extensively drug-resistant A. baumannii (XDRAB), and assessed the synergistic antibacterial effects of these BFIs when combined with one of four conventional anti-A. baumannii antibiotics (imipenem, meropenem, tigecycline, and polymyxin B). Each of the five BFIs tested was found to be able to significantly inhibit biofilm formation of all the clinical isolates tested under sub-minimal inhibitory concentrations. Then, we observed synergistic effects (in 22%, 56% and 11% of the isolates) and additive effects (56%, 44% and 44%) when zinc lactate, stannous fluoride and furanone were combined with tigecycline, respectively. When zinc lactate and stannous fluoride were each used with a carbapenem (imipenem or meropenem), in 33% and 56–67% of the isolates, they showed synergistic and additive effects, respectively. Additivity in > 50% of the isolates was detected when rifampicin was combined with imipenem, meropenem, tigecycline, or polymyxin B; and a 100% additivity was noted with azithromycin-polymyxin B combination. However, antagonism and indifference were noted for polymyxin B in its combination with zinc lactate and stannous fluoride, respectively. In conclusion, five BFIs in combination with four antibacterial drugs showed different degrees of in vitro synergistic and additive antibacterial effects against XDRAB.
Adenosine and ATPγS protect against bacterial pneumonia-induced acute lung injury
Authors: Gross Christine M. , Kovacs-Kasa Anita , Meadows Mary Louise , Cherian-Shaw Mary , Fulton David J. , Verin Alexander D.
Published: October 2020

Lipopolysaccharide (LPS), a component of the outer membrane of gram-negative bacteria, disrupts the alveolar-capillary barrier, triggering pulmonary vascular leak thus inducing acute lung injury (ALI). Extracellular purines, adenosine and ATP, protected against ALI induced by purified LPS. In this study, we investigated whether these purines can impact vascular injury in more clinically-relevant E.coli (non-sterile LPS) murine ALI model. Mice were inoculated with live E. coli intratracheally (i.t.) with or without adenosine or a non-hydrolyzable ATP analog, adenosine 5′-(γ-thio)-triphosphate (ATPγS) added intravenously (i.v.). After 24 h of E. coli treatment, we found that injections of either adenosine or ATPγS 15 min prior or adenosine 3 h after E.coli insult significantly attenuated the E.coli-mediated increase in inflammatory responses. Furthermore, adenosine prevented weight loss, tachycardia, and compromised lung function in E. coli-exposed mice. Accordingly, treatment with adenosine or ATPγS increased oxygen saturation and reduced histopathological signs of lung injury in mice exposed to E. coli. Lastly, lung-targeting gene delivery of adenosine or ATPγS downstream effector, myosin phosphatase, significantly attenuated the E. coli-induced compromise of lung function. Collectively, our study has demonstrated that adenosine or ATPγS mitigates E. coli-induced ALI in mice and may be useful as an adjuvant therapy in future pre-clinical studies.
Genome-scale analyses and characteristics of putative pathogenicity genes of Stagonosporopsis cucurbitacearum, a pumpkin gummy stem blight fungus
Authors: Zhao Qian , Wu Jianzhong , Zhang Liyan , Yan Chao , Jiang Shukun , Li Zhugang , Sun Dequan , Lai Yongcai , Gong Zhenping
Published: October 2020

Outbreaks of gummy stem blight (GSB), an emerging seed pumpkin disease, have increased in number and have become more widespread in recent years. Previously we reported that Stagonosporopsis cucurbitacearum (Sc.) is the dominant fungal cause of pumpkin seedling GSB in Northeast China, where it has greatly reduced crop yields in that region. Here, high-throughput whole-genome sequencing and assembly of the Sc. genome were conducted toward revealing pathogenic molecular regulatory mechanisms involved in fungal growth and development. Zq-1 as representative Sc. strain, DNA of Zq-1was prepared for genomic sequencing, we obtained 5.24 Gb of high-quality genomic sequence data via PacBio RS II sequencing. After sequence data was processed to filter out low quality reads, a hierarchical genome-assembly process was employed that generated a genome sequence of 35.28 Mb in size. A total of 9844 genes were predicted, including 237 non-coding RNAs, 1024 genes encoding proteins with signal peptides, 2066 transmembrane proteins and 756 secretory proteins.Transcriptional identification revealed 54 differentially expressed secretory proteins. Concurrently, 605, 130 and 2869 proteins were matched in the proprietary databases Carbohydrate-Active EnZymes database (CAZyme), Transporter Classification Database (TCDB) and Pathogen–Host Interactions database (PHI), respectively. And 96 and 36 DEGs were identified form PHI database and CAZyme database, respectively. In addition, contig00011.93 was an up-regulated DEG involving ATP-binding cassette metabolism in the procession of infection. In order to test relevance of gene predictions to GSB, DEGs with potential pathogenic relevance were revealed through transcriptome data analysis of Sc. strains pre- and post-infection of pumpkin. Interestingly, Sc. and Leptosphaeria maculans (Lm.) exhibited relatively similar with genome lengths, numbers of protein-coding genes and other characteristics. This work provides a foundation for future exploration of additional Sc. gene functions toward the development of more effective GSB control strategies.
Expression of NF-κB associated lncRNAs in schizophrenia
Authors: Safa Amin , Badrlou Elham , Arsang-Jang Shahram , Sayad Arezou , Taheri Mohammad , Ghafouri-Fard Soudeh
Published: October 2020

NF-κB signaling pathway has important roles in the regulation of growth and development of nervous system. This pathway has also been shown to participate in the pathogenesis of schizophrenia. Meanwhile, activity of NF-κB signaling pathway is regulated by several factors including non-coding RNAs (lncRNAs). In the current study, we evaluated expression of nine NF-κB-related lncRNAs namely DILC, ANRIL, PACER, CHAST, ADINR, DICER1-AS1, HNF1A-AS1, H19 and NKILA as well as two mRNA coding genes namely ATG5 and CEBPA in the peripheral blood of patients with schizophrenia compared with matched healthy subjects. Expressions of these genes were assessed by real time PCR technique. Expression of PACER was lower in patients with schizophrenia compared with controls (Posterior beta = − 0.684, P value = 0.049). On the other hand, expressions of CHAST, CEBPA, H19, HNF1A-AS1 and DICER1-AS1 were higher in patients compared with controls (Posterior beta = 0.39, P value = 0.005; Posterior beta = 0.844, P value < 0.0001; Posterior beta = 0.467, P value < 0.0001; Posterior beta = 1.107, P value = 0.005; Posterior beta = 0.176, P value = 0.044, respectively). We also appraised the diagnostic power of transcript quantities of CHAST, CEBPA, DICER1-AS1, H19 and HNF1A-AS1 in distinguishing between patients with schizophrenia and controls through depicting ROC curves. Based on the area under curve (AUC) values, CEBPA had the best diagnostic power (AUC = 0.948, P < 0.0001), followed by H19 (AUC = 0.815, P < 0.0001). Taken together, our study demonstrated dysregulation of NF-κB-related lncRNAs and genes in the peripheral blood of patients with schizophrenia and their potential as peripheral markers for this psychiatric condition.
Author Correction: Synchronous, Crosstalk-free Correlative AFM and Confocal Microscopies/Spectroscopies
Authors: Fernandes Thales F. D. , Saavedra-Villanueva Oscar , Margeat Emmanuel , Milhiet Pierre-Emmanuel , Costa Luca
Published: October 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Evolution of etiology, presentation, management and prognostic tool in hepatocellular carcinoma
Authors: Ho Shu-Yein , Liu Po-Hong , Hsu Chia-Yang , Hsia Cheng-Yuan , Huang Yi-Hsiang , Lei Hao-Jan , Su Chien-Wei , Lee Rheun-Chuan , Hou Ming-Chih , Huo Teh-Ia
Published: October 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
MmfL catalyses formation of a phosphorylated butenolide intermediate in methylenomycin furan biosynthesis
Authors: Zhou Shanshan , Malet Nicolas R. , Song Lijiang , Corre Christophe , Challis Gregory L.
Published: October 2020

MmfL forms phosphorylated butenolides that undergo dephosphorylation and rearrangement to yield methylenomycin furan (MMF) signalling molecules that induce antibiotic production in Streptomyces coelicolor.
Reductive activation of PdII-precatalysts via decarboxylation of pivalate in direct C–H arylation reactions
Authors: Kim Seoung-Tae , Baik Mu-Hyun
Published: October 2020

A novel PdII precursor activation by pivalate was discovered. Pivalate was found to decarboxylate and act as a reductant, suggesting an alternative explanation for the superior performance of its use in Pd-catalyzed direct C–H arylation reactions.
Five years of the #RSCPoster Twitter conference
Authors: Baker Matthew J. , Gempf Kathryn L. , McDonald Hannah , Kerr Hannah E. , Hodges Catherine , Anastasaki Athina , Noel Timothy , Randviir Edward P.
Published: October 2020

#RSCPoster is a 24 hour poster conference on Twitter. The format has enabled hundreds to share research, with 32 million measurable impressions of #RSCPoster in 2020, participation growth each year and inspiring of new conferences. We outline of the history and content of the event.
DNA intercalative trinuclear Cu(ii) complex with new trans axial nitrato ligation as an efficient catalyst for atmospheric CO2 fixation to epoxides
Authors: Dolai Malay , Saha Urmila , Biswas Surajit , Chatterjee Sabyasachi , Suresh Kumar Gopinatha
Published: October 2020

A trinuclear octahedral CuII complex was synthesized and structurally characterized by single crystal X-ray diffraction studies and behaved as a catalyst for CO2 fixation to epoxide and as a DNA binder.
From a bulk to nanoconfined water chain: bridge water at the pore of the (6,6) carbon nanotube
Authors: Jia Yunzhe , Lu Xiya , Cao Zhen , Yan Tianying
Published: October 2020

Hydrophobic porous materials with nano-pores are critical in many processes such as water desalination and biological membrane transportation.
Structural evolution from exohedral to endohedral geometries, dynamical fluxionality, and structural forms of medium-sized anionic and neutral Au2Sin (n = 8–20) clusters
Authors: Lu Sheng-Jie
Published: October 2020

Au2Si8−, Au2Si9−, Au2Si13−, Au2Si15−, Au2Si17− anions and Au2Si13, Au2Si14, Au2Si17 neutrals show dynamical fluxionality. In addition, the odd-even alternations of chemical stabilities are observed in the anionic and neutral Au2Sin clusters.
Method for the accurate prediction of electron transfer potentials using an effective absolute potential
Authors: Busch Michael , Laasonen Kari , Ahlberg Elisabet
Published: October 2020

A method to predict electron transfer potentials from first principles using the experimental pKaas reference is shown.
Orientation and dynamics of Cu2+based DNA labels from force field parameterized MD elucidates the relationship between EPR distance constraints and DNA backbone distances
Authors: Ghosh Shreya , Casto Joshua , Bogetti Xiaowei , Arora Charu , Wang Junmei , Saxena Sunil
Published: October 2020

MD simulations highlight how EPR distance constraints from Cu2+-DPA labels can be interpreted in terms of DNA structure.
Simulating human digestion: developing our knowledge to create healthier and more sustainable foods
Authors: Mackie Alan , Mulet-Cabero Ana-Isabel , Torcello-Gómez Amelia
Published: October 2020

The gold standard for nutrition studies is clinical trials but they are expensive and variable, and do not always provide the mechanistic information required, hence the increased use ofin vitroand increasinglyin silicosimulations of digestion.
Thiol-promoted catalytic synthesis of high-performance furan-containing lubricant base oils from biomass derived 2-alkylfurans and ketones
Authors: Liu Sibao , Bhattacharjee Rameswar , Li Sha , Danielson Andrew , Mazal Tobias , Saha Basudeb , Vlachos Dionisios G.
Published: October 2020

Furan-containing lubricants with excellent yields (up to 90%) were synthesized by hydroxylalkylation/alkylation (HAA) of biomass derived 2-alkylfurans with ketones over a solid acid and a thiol promoter.
Synthesis of mixed phosphorotrithioates from white phosphorus
Authors: Huangfu Xinlei , Zhang Yue , Chen Peiyun , Lu Guozhang , Cao Yinwei , Tang Guo , Zhao Yufen
Published: October 2020

The first general and high-yielding synthesis of mixed phosphorotrithioates involving white phosphorus, disulfides, and alkyl halides is presented.
Correction for neutron self-shielding and gamma-ray self-absorption in prompt-gamma activation analysis for large and irregularly shaped samples
Authors: Szentmiklósi László , Kis Zoltán , Maróti Boglárka , Horváth László Zoltán
Published: October 2020

Prompt-gamma activation analysis (PGAA) has been extended and validated to measure large and irregularly shaped samples. The detailed sample geometry was implemented in the MCNP-model of the setup and accurate matrix-effect corrections were obtained.
Validated ensemble variable selection of laser-induced breakdown spectroscopy data for coal property analysis
Authors: Song Weiran , Hou Zongyu , Afgan Muhammad Sher , Gu Weilun , Wang Hui , Cui Jiacheng , Wang Zhe , Wang Yun
Published: October 2020

Variable selection based on ensemble learning and validation for rapid and low-cost analysis of coal properties using laser-induced breakdown spectroscopy.
High-throughput roll-to-roll production of polymer biochips for multiplexed DNA detection in point-of-care diagnostics
Authors: Toren Pelin , Smolka Martin , Haase Anja , Palfinger Ursula , Nees Dieter , Ruttloff Stephan , Kuna Ladislav , Schaude Cindy , Jauk Sandra , Rumpler Markus , Hierschlager Bettina , Katzmayr Ingo , Sonnleitner Max , Thesen Manuel W. , Lohse Mirko , Horn Martin , Weigel Wilfried , Strbac Matija , Bijelic Goran , Hemanth Suhith , Okulova Nastasia , Kafka Jan , Kostler Stefan , Stadlober Barbara , Hesse Jan
Published: October 2020

Roll-to-roll UV nanoimprint lithography has superior advantages for high-throughput manufacturing of micro- or nano-structures on flexible polymer foils with various geometries and configurations.
Monolithic 3D micromixer with an impeller for glass microfluidic systems
Authors: Kim Sungil , Kim Jeongtae , Joung Yeun-Ho , Ahn Sanghoon , Park Changkyoo , Choi Jiyeon , Koo Chiwan
Published: October 2020

We introduce a new 3D impeller micromixer built within a single glass substrate using ultrafast laser process and it shows high mixing efficiency up to 99% and throughput of 30 mL min−1 with a short mixing channel length of 0.98 mm.
Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)
Authors: Schwade Vânia Denise , Teixeira Estefane Isis , dos Santos Fábio Alencar , Bortolotto Tanize , Tirloni Bárbara , Abram Ulrich
Published: October 2020

TiO2-based semiconductor composites containing ZnII and CdII complexes produced more hydrogen gas than pure TiO2.
Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations
Authors: Saeed Aamer , Khurshid Asma , Flörke Ulrich , Echeverría Gustavo A. , Piro Oscar E. , Gil Diego M. , Rocha Mariana , Frontera Antonio , El-Seedi Hesham R. , Mumtaz Amara , Erben Mauricio F.
Published: October 2020

Based on experimental and computational data, a complex network of intermolecular interactions has been rationalized for antipyrine compounds.
Mucoadhesive alginate synthesis: a multivariate calibration approach
Authors: Mackaya-Navarro Laura , Campos-Requena Víctor H.
Published: October 2020

Alginate–cysteine thiomer were synthesized by a 2-step DoE and PLSR. Processing variables were calibrated in a single PLS model optimizing –SH and –S–S–. The G′/G′′ was 7-fold higher than neat alginate and –SH was 55–120% higher than previous reports.
Rich information on 2D materials revealed by optical second harmonic generation
Authors: Ma He , Liang Jing , Hong Hao , Liu Kehai , Zou Dingxin , Wu Muhong , Liu Kaihui
Published: October 2020

Second harmonic generation as a versatile tool for uncovering various properties of two-dimensional materials.
A mechanistic study on Cu(i) catalyzed carboxylation of the C–F bond with CO2: a DFT study
Authors: Liu Jiao , Nie Wan , Yu Haizhu , Shi Jing
Published: October 2020

Cu(i) catalyzed carboxylation of the C–F bond is an excellent method for construction of complex fluoroacrylate compounds with high regioselectivity. Here, theoretical calculations were carried out to investigate the detailed mechanism and origin of regioselectivity.
Copper- and DMF-mediated switchable oxidative C–H cyanation and formylation of imidazo[1,2-a]pyridines using ammonium iodide
Authors: Li Xuan , Wang Shoucai , Zang Jiawang , Liu Meichen , Jiang Guangbin , Ji Fanghua
Published: October 2020

The cyanation and formylation of imidazo[1,2-a]pyridines were developed under copper-mediated oxidative conditions using ammonium iodide and DMF as a nontoxic combined cyano-group source and DMF as a formylation reagent.
Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives
Authors: Gadigennavar Savita , Ranganathan Madhav , Sankararaman Sethuraman
Published: October 2020

Symmetrically tetrasubstituted derivatives of COT. Which one is it, 1,2,5,6 (C2v) or 1,4,5,8 (D2) substituted?
Correction: Crystal structure and metallization mechanism of the π-radical metal TED
Authors: Kobayashi Yuka , Hirata Kazuto , Hood Samantha N. , Yang Hui , Walsh Aron , Matsushita Yoshitaka , Ishioka Kunie
Published: October 2020

Correction for ‘Crystal structure and metallization mechanism of the π-radical metal TED’ by Yuka Kobayashi et al., Chem. Sci., 2020, DOI: 10.1039/d0sc03521a.
Web‐based efficient dual attention networks to detect COVID‐19 from X‐ray images
Authors: Sarker Md. Mostafa Kamal , Makhlouf Yasmine , Banu Syeda Furruka , Chambon Sylvie , Radeva Petia , Puig Domenec
Published: October 2020

Rapid and accurate detection of COVID‐19 is a crucial step to control the virus. For this purpose, the authors designed a web‐based COVID‐19 detector using efficient dual attention networks, called ‘EDANet’. The EDANet architecture is based on inverted residual structures to reduce the model complexity and dual attention mechanism with position and channel attention blocks to enhance the discriminant features from the different layers of the network. Although the EDANet has only 4.1 million parameters, the experimental results demonstrate that it achieves the state‐of‐the‐art results on the COVIDx data set in terms of accuracy and sensitivity of 96 and . The web application is available at the following link: https://covid19detector‐cxr.herokuapp.com/.
Digitally controlled GaN‐based MHz active clamp flyback converter with dynamic dead time optimisation for AC–DC adapter
Authors: Gu Donglie , Xi Jianxiong , He Lenian
Published: October 2020

The active clamp flyback (ACF) converter utilising gallium nitride (GaN) devices with high‐switching frequency and high efficiency is impressive in system miniaturisation for AC–DC adapters. Owing to poor reverse conduction of GaN devices, the improper dead time between two switches can cause large power consumption in high frequency. This study proposes a dynamic dead time optimisation technique for GaNs ideal zero‐voltage switching (ZVS) to address the issue. It adjusts the clamp switch on time to avoid large reverse conduction voltage stress on the main switch in different loads conditions. In addition, a new control scheme for clamp switch is introduced for enhancing efficiency in light to medium load. These techniques are experimentally verified on a 45 W (20 V/2.25 A) prototype of an ACF converter with a field‐programmable gate array. The controller enables the system to operate at 1 MHz and dynamically modulates the dead‐time under universal input and full load. With the light load ZVS control scheme, the system can achieve a maximum efficiency of 94.12 and 80.23% in the worst case. The prototyped converter can achieve power density (exclude case and controller) of 18 W/in3.
Constant-volume vapor-liquid equilibrium for thermal energy storage: Generalized analysis of pure fluids
Authors: Bamoshmoosh Abdullah , Valenti Gianluca
Published: October 2020

Thermal energy storage is of great interest both for the industrial world and for the district heating and cooling sector. Available technologies present drawbacks that reduce the margin of application, such as low energy density, limited temperature range of work, and investment costs. Phase transition is one of the main phenomena that can be exploited for thermal energy storage because of its naturally high energy density. Constant-volume vapor-liquid transition shows higher flexibility and increased heat transfer properties with respect to available technologies. This work presents a description of the behavior of these types of systems. The analysis is carried out through a generalized approach using the Corresponding State Principle. Variation of internal energy as a function of temperature over a fixed range is calculated at constant volume at different values of specific volume. It is shown that, for lower specific volumes, larger temperature ranges of work can be achieved without occurring in the steep pressure increase typically given by the expansion of liquid. Maximum operating temperature range is increased by up to 20% of the critical temperature with minimal energy loss. In optimal subsets of these ranges of temperature, the energy storage capacity of vapor-liquid systems increases at lower volumes, with energy storage capacity increasing to up to 40% with a 50% increase of the reduced volume. This is especially valid for more complex fluids, which are more interesting for these applications because of their higher heat capacity.
Design parameters influencing the operation of a CHP plant within a micro-grid: application of the ANOVA test
Authors: Fichera Alberto , Pagano Arturo , Volpe Rosaria
Published: October 2020

Combined heat and power systems are widely recognized as a cost-effective solution for the achievement of sustainable and energy efficiency goals. During the last decade, cogeneration systems have been extensively studied from both the technological and operational viewpoints. However, the operation of a cogeneration system is a topic still worth of investigation. In fact, along with the determination of the optimal configurations of the combined heat and power systems, it is likewise fundamental to increase the awareness on the design and cost parameters affecting the operation of cogeneration systems, especially if considering the micro-grid in which they are inserted. In this direction, this paper proposed a mixed integer linear programming model with the objective of minimizing the total operational costs of the micro-grid. Different scenarios include the satisfaction of the cooling demands of the micro-grid as well as the opportuneness to include a heat storage. The influence of the main design and cost parameters on the operation of the micro-grid has been assessed by adopting the statistical tool ANOVA (Analysis Of Variance). The model and the experimental application of the ANOVA have been applied to a micro-grid serving a hospital located in the South of Italy.