bluuebunny/crossref_metadata_2025 huggingface dataset:
Proteomic analysis-based discovery of a novel biomarker that differentiates intestinal Behçet’s disease from Crohn’s disease
Authors: Park Jihye , Jeong Daeun , Chung Youn Wook , Han Seunghan , Kim Da Hye , Yu Jongwook , Cheon Jae Hee , Ryu Ji-Hwan
Published: May 2021

Intestinal Behçet’s disease (BD) and Crohn’s disease (CD) present similar manifestations, but there are no specific diagnostic tests to differentiate them. We used a proteomic approach to discover novel diagnostic biomarkers specific to intestinal BD. Colon mucosa tissue samples were obtained from patients with intestinal BD or CD using colonoscopy-guided biopsy of the affected bowel. Peptides from seven intestinal BD and seven CD patients were extracted and labeled using tandem mass tag (TMT) reagents. The labeled peptides were identified and quantified using liquid chromatography-tandem mass spectrometry (LC–MS/MS). The proteins were further validated using immunohistochemical (IHC) analysis with tissue samples and an ELISA test with serum samples from 20 intestinal BD and 20 CD patients. Using TMT/LC–MS/MS-based proteomic quantification, we identified 39 proteins differentially expressed between intestinal BD and CD. Beta-2 glycoprotein 1 (APOH) and maltase-glucoamylase (MGAM) showed higher intensity in the IHC staining of intestinal BD tissues than in CD tissues. The serum MGAM level was higher in intestinal BD patients. Proteomic analysis revealed that some proteins were differentially expressed in patients with intestinal BD compared with those with CD. Differential MGAM expression in intestinal BD suggests its role as a potential novel diagnostic biomarker.
A merged molecular representation learning for molecular properties prediction with a web-based service
Authors: Kim Hyunseob , Lee Jeongcheol , Ahn Sunil , Lee Jongsuk Ruth
Published: May 2021

Deep learning has brought a dramatic development in molecular property prediction that is crucial in the field of drug discovery using various representations such as fingerprints, SMILES, and graphs. In particular, SMILES is used in various deep learning models via character-based approaches. However, SMILES has a limitation in that it is hard to reflect chemical properties. In this paper, we propose a new self-supervised method to learn SMILES and chemical contexts of molecules simultaneously in pre-training the Transformer. The key of our model is learning structures with adjacency matrix embedding and learning logics that can infer descriptors via Quantitative Estimation of Drug-likeness prediction in pre-training. As a result, our method improves the generalization of the data and achieves the best average performance by benchmarking downstream tasks. Moreover, we develop a web-based fine-tuning service to utilize our model on various tasks.
Abandonment and rapid infilling of a tide-dominated distributary channel at 0.7 ka in the Mekong River Delta
Authors: Gugliotta Marcello , Saito Yoshiki , Ta Thi Kim Oanh , Nguyen Van Lap , Tamura Toru , Wang Zhanghua , La Croix Andrew D. , Nakashima Rei
Published: May 2021

The Ba Lai distributary channel of the Mekong River Delta was abandoned and infilled with sediment during the Late Holocene, providing a unique opportunity to investigate the sediment fill, timing and mechanisms of channel abandonment in tide-dominated deltaic systems. Based on analysis and age dating of four sediment cores, we show that the channel was active since 2.6 ka and was abandoned at 0.7 ka as marked by the abrupt disappearance of the sand fraction and increase in organic matter and sediment accumulation rate. We estimate that the channel might have been filled in a time range of 45–263 years after detachment from the deltaic network, with sediment accumulation rates of centimetres to decimetres per year, rapidly storing approximately 600 Mt of organic-rich mud. We suggest that the channel was abandoned due to a sediment buildup favoured by an increase in regional sediment supply to the delta. This study highlights that mechanisms for abandonment and infilling of tide-dominated deltaic channels do not entirely fit widely used models developed for fluvial-dominated environments. Their abandonment might be driven by autogenic factors related to the river-tidal and deltaic dynamics and favoured by allogenic factors (e.g., human impact and/or climate change).
Infants exploit vowels to label objects and actions from continuous audiovisual stimuli
Authors: Jara Cristina , Moënne-Loccoz Cristóbal , Peña Marcela
Published: May 2021

Before the 6-months of age, infants succeed to learn words associated with objects and actions when the words are presented isolated or embedded in short utterances. It remains unclear whether such type of learning occurs from fluent audiovisual stimuli, although in natural environments the fluent audiovisual contexts are the default. In 4 experiments, we evaluated if 8-month-old infants could learn word-action and word-object associations from fluent audiovisual streams when the words conveyed either vowel or consonant harmony, two phonological cues that benefit word learning near 6 and 12 months of age, respectively. We found that infants learned both types of words, but only when the words contained vowel harmony. Because object- and action-words have been conceived as rudimentary representations of nouns and verbs, our results suggest that vowels contribute to shape the initial steps of the learning of lexical categories in preverbal infants.
ADAMTS12 acts as a tumor microenvironment related cancer promoter in gastric cancer
Authors: Hou Yangming , Xu Yingjuan , Wu Dequan
Published: May 2021

The infiltration degree of immune and stromal cells has been shown clinically significant in tumor microenvironment (TME). However, the utility of stromal and immune components in Gastric cancer (GC) has not been investigated in detail. In the present study, ESTIMATE and CIBERSORT algorithms were applied to calculate the immune/stromal scores and the proportion of tumor-infiltrating immune cell (TIC) in GC cohort, including 415 cases from The Cancer Genome Atlas (TCGA) database. The differentially expressed genes (DEGs) were screened by Cox proportional hazard regression analysis and protein–protein interaction (PPI) network construction. Then ADAMTS12 was regarded as one of the most predictive factors. Further analysis showed that ADAMTS12 expression was significantly higher in tumor samples and correlated with poor prognosis. Gene Set Enrichment Analysis (GSEA) indicated that in high ADAMTS12 expression group gene sets were mainly enriched in cancer and immune-related activities. In the low ADAMTS12 expression group, the genes were enriched in the oxidative phosphorylation pathway. CIBERSORT analysis for the proportion of TICs revealed that ADAMTS12 expression was positively correlated with Macrophages M0/M1/M2 and negatively correlated with T cells follicular helper. Therefore, ADAMTS12 might be a tumor promoter and responsible for TME status and tumor energy metabolic conversion.
Olfactory coding in the antennal lobe of the bumble bee Bombus terrestris
Authors: Mertes Marcel , Carcaud Julie , Sandoz Jean-Christophe
Published: May 2021

Sociality is classified as one of the major transitions in evolution, with the largest number of eusocial species found in the insect order Hymenoptera, including the Apini (honey bees) and the Bombini (bumble bees). Bumble bees and honey bees not only differ in their social organization and foraging strategies, but comparative analyses of their genomes demonstrated that bumble bees have a slightly less diverse family of olfactory receptors than honey bees, suggesting that their olfactory abilities have adapted to different social and/or ecological conditions. However, unfortunately, no precise comparison of olfactory coding has been performed so far between honey bees and bumble bees, and little is known about the rules underlying olfactory coding in the bumble bee brain. In this study, we used in vivo calcium imaging to study olfactory coding of a panel of floral odorants in the antennal lobe of the bumble bee Bombus terrestris. Our results show that odorants induce reproducible neuronal activity in the bumble bee antennal lobe. Each odorant evokes a different glomerular activity pattern revealing this molecule’s chemical structure, i.e. its carbon chain length and functional group. In addition, pairwise similarity among odor representations are conserved in bumble bees and honey bees. This study thus suggests that bumble bees, like honey bees, are equipped to respond to odorants according to their chemical features.
The association between telomere length and ischemic stroke risk and phenotype
Authors: Yetim Ezgi , Topcuoglu Mehmet Akif , Yurur Kutlay Nuket , Tukun Ajlan , Oguz Kader K. , Arsava Ethem Murat
Published: May 2021

The chronological age of a person is a key determinant of etiology and prognosis in the setting of ischemic stroke. Telomere length, an indicator of biological aging, progressively shortens with every cell cycle. Herein, we determined telomere length from peripheral blood leukocytes by Southern blot analyses in a prospective cohort of ischemic stroke patients (n = 163) and equal number of non-stroke controls and evaluated its association with various ischemic stroke features including etiology, severity, and outcome. A shorter telomere length (i.e. lowest quartile; ≤ 5.5 kb) was significantly associated with ischemic stroke (OR 2.95, 95% CI 1.70–5.13). This significant relationship persisted for all stroke etiologies, except for other rare causes of stroke. No significant association was present between admission lesion volume and telomere length; however, patients with shorter telomeres had higher admission National Institutes of Health Stroke Scale scores when adjusted for chronological age, risk factors, etiology, and infarct volume (p = 0.046). On the other hand, chronological age, but not telomere length, was associated with unfavorable outcome (modified Rankin scale > 2) and mortality at 90 days follow-up. The association between shorter telomere length and more severe clinical phenotype at the time of admission, might reflect reduced resilience of cerebral tissue to ischemia as part of biological aging.
PET-CT and RNA sequencing reveal novel targets for acupuncture-induced lowering of blood pressure in spontaneously hypertensive rats
Authors: Li Jing , Peng Chong , Lai Dongjian , Fang Yajing , Luo Daihong , Zhou Zunming , Li Chenyun , Lai Xinsheng
Published: May 2021

Manual acupuncture (MA) can be used to manage high blood pressure; however, the underlying molecular mechanism remains unknown. To explore the mechanism of acupuncture in the treatment of hypertension, Wistar Kyoto rats (WKYs) and spontaneously hypertensive rats (SHRs) were subjected to either MA stimulation or the corresponding sham procedure as a negative control (Sham-MA) for 1 week. PET-CT scans, transcriptomics and molecular biology were used to evaluate the effect of MA. The results show that MA can regulate blood pressure in SHRs, change the glucose metabolism of the paraventricular hypothalamus (PVH), and affect the mRNA and protein expression levels of differentially expressed genes in the PVH. These genes may lower blood pressure by regulating angiotensin, endothelial function and inflammation. These findings reveal that MA regulates multiple biological processes and genes/proteins of the PVH, and provide a solid theoretical basis for exploring the mechanisms by which MA regulates hypertension.
Poor performance of open incisional biopsy for the microbiological diagnosis of periprosthetic knee joint infection
Authors: Schwarze Jan , Moellenbeck Burkhard , Gosheger Georg , Schmidt-Braekling Tom , Lampe Lukas , Klingebiel Sebastian , Ackmann Thomas , Theil Christoph
Published: May 2021

The accurate preoperative diagnosis of periprosthetic joint infection (PJI) of total knee arthroplasty (TKA) can be difficult despite the use of a combination of serum and synovial markers. In such inconclusive cases, incisional open biopsy might be considered. This study investigates the usefulness of biopsies in patients with inconclusive diagnostic findings. We retrospectively identified 63 patients who underwent incisional biopsy for chronic PJI in the operation theatre following TKA revision between 2010 and 2018 after inconclusive preoperative diagnostics for PJI. In all cases, 5 independent biopsies were taken. Results from open biopsy for PJI were analyzed for diagnostic accuracy using the intraoperative results from following revision surgery as gold standard. 27 patients (43%) had a positive culture taken during biopsy. 15 cases (24%) met the diagnostic criteria for a chronic PJI. Most common organisms were Coagulase-negative staphylococci (67%) and Cutibacterium acnes (30%). Compared to the findings during revision surgery, biopsies showed a sensitivity of 47% and a specificity of 77% for PJI. Open incisional biopsy following inconclusive serum- and synovial diagnostics for low grade PJI may be considered for identification of microorganisms. Due to its low sensitivity and moderate specificity found in the present cohort, microbiological analysis should be combined with additional diagnostic markers and histological investigation.

Level of Evidence. Retrospective cohort study (Level III).
Bacterial DNAemia is associated with serum zonulin levels in older subjects
Authors: Gargari Giorgio , Mantegazza Giacomo , Taverniti Valentina , Del Bo’ Cristian , Bernardi Stefano , Andres-Lacueva Cristina , González-Domínguez Raul , Kroon Paul A. , Winterbone Mark S. , Cherubini Antonio , Riso Patrizia , Guglielmetti Simone
Published: May 2021

The increased presence of bacteria in blood is a plausible contributing factor in the development and progression of aging-associated diseases. In this context, we performed the quantification and the taxonomic profiling of the bacterial DNA in blood samples collected from forty-three older subjects enrolled in a nursing home. Quantitative PCR targeting the 16S rRNA gene revealed that all samples contained detectable amounts of bacterial DNA with a concentration that varied considerably between subjects. Correlation analyses revealed that the bacterial DNAemia (expressed as concentration of 16S rRNA gene copies in blood) significantly associated with the serum levels of zonulin, a marker of intestinal permeability. This result was confirmed by the analysis of a second set of blood samples collected from the same subjects. 16S rRNA gene profiling revealed that most of the bacterial DNA detected in blood was ascribable to the phylum Proteobacteria with a predominance of the genus Pseudomonas. Several control samples were also analyzed to assess the influence of contaminant bacterial DNA potentially originating from reagents and materials. The data reported here suggest that para-cellular permeability of epithelial (and, potentially, endothelial) cell layers may play an important role in bacterial migration into the bloodstream. Bacterial DNAemia is likely to impact on several aspects of host physiology and could underpin the development and prognosis of various diseases in older subjects.
Cooperative inhibition of SNARE-mediated vesicle fusion by α-synuclein monomers and oligomers
Authors: Yoo Gyeongji , Yeou Sanghun , Son Jung Bae , Shin Yeon-Kyun , Lee Nam Ki
Published: May 2021

The primary hallmark of Parkinson's disease (PD) is the generation of Lewy bodies of which major component is α-synuclein (α-Syn). Because of increasing evidence of the fundamental roles of α-Syn oligomers in disease progression, α-Syn oligomers have become potential targets for therapeutic interventions for PD. One of the potential toxicities of α-Syn oligomers is their inhibition of SNARE-mediated vesicle fusion by specifically interacting with vesicle-SNARE protein synaptobrevin-2 (Syb2), which hampers dopamine release. Here, we show that α-Syn monomers and oligomers cooperatively inhibit neuronal SNARE-mediated vesicle fusion. α-Syn monomers at submicromolar concentrations increase the fusion inhibition by α-Syn oligomers. This cooperative pathological effect stems from the synergically enhanced vesicle clustering. Based on this cooperative inhibition mechanism, we reverse the fusion inhibitory effect of α-Syn oligomers using small peptide fragments. The small peptide fragments, derivatives of α-Syn, block the binding of α-Syn oligomers to Syb2 and dramatically reverse the toxicity of α-Syn oligomers in vesicle fusion. Our findings demonstrate a new strategy for therapeutic intervention in PD and related diseases based on this specific interaction of α-Syn.
Clinical characteristics and prediction analysis of pediatric urinary tract infections caused by gram-positive bacteria
Authors: Hsu Yu-Lung , Chang Shih-Ni , Lin Che-Chen , Lin Hsiao-Chuan , Lai Huan-Cheng , Kuo Chin-Chi , Hwang Kao-Pin , Chiang Hsiu-Yin
Published: May 2021

Gram-positive (GP) pathogens are less accounted for in pediatric urinary tract infection (UTI), and their clinical impact is underrecognized. This study aimed to identify predictors of GP uropathogens in pediatric UTI. In this 14-year retrospective cohort of pediatric patients with UTI, we classified first-time UTIs cases into those caused by GP or Gram-negative (GN) bacteria. We constructed a multivariable logistic regression model to predict GP UTI. We evaluated model performance through calibration and discrimination plots. We developed a nomogram to predict GP UTI that is clinically feasible. Of 3783 children with first-time UTI, 166 (4.4%) were infected by GP and 3617 (95.6%) by GN bacteria. Among children with GP UTI, the most common uropathogens were vancomycin-resistant Enterococcus faecalis (VRE) (27.1%), Staphylococcus saprophyticus (26.5%), and coagulase-negative Staphylococci (12.7%). Eight independent risk factors were associated with GP UTI: Age ≥ 24 months (odds ratio [OR]: 3.21), no prior antibiotic use (OR: 3.13), serum white blood cell (WBC) count < 14.4 × 103/μL (OR: 2.19), high sensitivity C-reactive protein (hsCRP) < 3.4 mg/dL (OR: 2.18), hemoglobin ≥ 11.3 g/dL (OR: 1.90), negative urine leukocyte esterase (OR: 3.19), negative urine nitrite (OR: 4.13), and urine WBC < 420/μL (OR: 2.37). The model exhibited good discrimination (C-statistic 0.879; 95% CI 0.845–0.913) and calibration performance. VR E. faecalis, the leading GP uropathogen causing pediatric UTI, requires early detection for infection control. Our model for predicting GP UTI can help clinicians detect GP uropathogens and administer antibiotic regimen early.
Prediction of precise subsoiling based on analytical method, discrete element simulation and experimental data from soil bin
Authors: Makange Nelson Richard , Ji Changying , Nyalala Innocent , Sunusi Idris Idris , Opiyo Samwel
Published: May 2021

Prediction of a precise subsoiling using an analytical model (AM) and Discrete Element Method (DEM) was conducted to explain cutting forces and the soil profile induced changes by a subsoiler. Although sensors, AMs and DEM exist, there are still cases of soil structure deformation during deep tillage. Therefore, this study aimed to provide a clear understanding of the deep tillage using prediction models. Experimental data obtained in the soil bin trolley with force sensors were used for verification of the models. Experiments were designed using Taguchi method. In the AM, the modified-McKyes and Willat and Willis equations were used to determine cutting forces and soil furrow profile respectively. Calculations were done using MATLAB software. The elastoplastic behavior of soil was incorporated into the DEM. The DEM predicted results with the best regression of 0.984 $$R^{2}$$

R
2

at a $$NRMSE$$

NRMSE

of 1.936 while the AM had the lowest $$R^{2}$$

R
2

of 0.957, at a $$NRMSE$$

NRMSE

of 6.008. All regression results were obtained at p < 0.05. The ANOVA test showed that the p-values for the horizontal and vertical forces were 0.9396 and 0.9696, respectively. The DEM predicted better than the AM. DEM is easy to use and is effective in developing models for precision subsoiling.
The variability of soils and vegetation of hydrothermal fields in the Valley of Geysers at Kamchatka Peninsula
Authors: Semenkov I. N. , Klink G. V. , Lebedeva M. P. , Krupskaya V. V. , Chernov M. S. , Dorzhieva O. V. , Kazinskiy M. T. , Sokolov V. N. , Zavadskaya A. V.
Published: May 2021

The picturesque and high conservation value thermal landscapes of the Valley of Geysers feature endothermal (heated by endogenous fluids) soils which support endangered and unique species. However, such soils have not been distinguished as a separate taxon within most classification systems. In this study, we described the soil morphology at macro-, meso- and micro-scales, chemistry, mineralogy and vegetation of these landscapes as they are affected by the steam-heated acid-sulfate waters. The studied catenary sequence from exothermal (non-heated) to endothermal soils was characterized by decreasing contents of soil organic carbon, sand fraction, essential nutrients (Ca, K, Mg, Mn and Si), increasing soil acidity, amounts of fine particle-size fractions and contents of trace elements (Al, As, Co, Cr, Cu, Fe, Pb, Ti and V) as well as the development of sodium-sulfate salinity, kaolinization and ferrugination. In phytocenoses supported by endothermal soils, species of order Rosales and Asparagales were overrepresented among obligate and facultative thermophytes respectively, and species of order Poales were underrepresented among facultative thermophytes in relation to the flora of the Valley of Geysers. Phytocenoses on the non-heated Andosols were enriched in Polypodiopsida species. The results of our comparative analysis of the thermally-induced variability in the soils and vegetation contribute to the general understanding of mineralogical, bio-abiotic and biological systems affected by steam-heated acid-sulfate waters. We hope that our findings will provide a basis for future transdisciplinary studies of the influence of steam-heated waters of a hot spring on the thermal landscapes.
Psychological symptoms and salivary inflammatory biomarkers in patients with dentofacial deformities: a case–control study
Authors: Volkweis Maria C. C. , Neculqueo Gabriela W. , Freitas Raquel D. S. , Dagnino Ana P. A. , Fritscher Guilherme G. , Irigaray Tatiana Q. , Campos Maria M.
Published: May 2021

Individuals with dentofacial deformities often display a low quality of life (QoL) through biological mechanisms that remain unraveled. In this case–control study, the salivary levels of cytokines, glutamate, and kynurenine metabolites were assessed in patients undergoing orthognathic surgery (OS), while correlating these parameters with QoL and psychological symptoms. Thirty-six patients were enrolled in control (under orthodontic treatment) and test (undergoing OS) groups, matched by age and sex. The QoL was assessed through the World Health Organization Quality of Life BREF (WHOQOL-BREF) and the Orthognathic Quality of Life Questionnaire (OQLQ). The psychological symptoms were evaluated by the Satisfaction with Life Scale, the Rosenberg Self-Esteem Scale (RSES), and the Depression, Anxiety, and Stress Scale-21 (DASS-21). The salivary levels of IL-1β, IL-6, IL-10, glutamate, and kynurenine metabolites were evaluated. The OQLQ demonstrated increased QoL scores in the test group, regarding social aspects, facial esthetics, and function domains, without significant differences in respect to the other surveys. These patients displayed higher IL-1β and glutamate levels; conversely, the kynurenine metabolites were unaltered. The glutamate levels positively correlated with the OQLQ function scores. The data brings novel evidence about the psychobiological features of patients with dentofacial deformities, showing salivary variations of inflammatory biomarkers in these individuals.
NEBULA is a fast negative binomial mixed model for differential or co-expression analysis of large-scale multi-subject single-cell data
Authors: He Liang , Davila-Velderrain Jose , Sumida Tomokazu S. , Hafler David A. , Kellis Manolis , Kulminski Alexander M.
Published: May 2021

The increasing availability of single-cell data revolutionizes the understanding of biological mechanisms at cellular resolution. For differential expression analysis in multi-subject single-cell data, negative binomial mixed models account for both subject-level and cell-level overdispersions, but are computationally demanding. Here, we propose an efficient NEgative Binomial mixed model Using a Large-sample Approximation (NEBULA). The speed gain is achieved by analytically solving high-dimensional integrals instead of using the Laplace approximation. We demonstrate that NEBULA is orders of magnitude faster than existing tools and controls false-positive errors in marker gene identification and co-expression analysis. Using NEBULA in Alzheimer’s disease cohort data sets, we found that the cell-level expression ofAPOEcorrelated with that of other genetic risk factors (includingCLU, CST3, TREM2, C1q, andITM2B) in a cell-type-specific pattern and an isoform-dependent manner in microglia. NEBULA opens up a new avenue for the broad application of mixed models to large-scale multi-subject single-cell data.
A portable droplet microfluidic device for cortisol measurements using a competitive heterogeneous assay
Authors: Evans Gareth W. H. , Bhuiyan Wahida T. , Pang Susan , Warren Brett , Makris Kyriacos , Coleman Sharon , Hassan Sammer-ul , Niu Xize
Published: May 2021

Point-of-care monitoring of chemical biomarkers in real-time holds great potential in rapid disease diagnostics and precision medicine.
Computational study of silver-catalyzed stereoselective hydroalkylation of alkynes: Pauli repulsion controlled Z/E selectivity
Authors: Hu Lingfei , Gao Han , Hu Yanlei , Lv Xiangying , Wu Yan-Bo , Lu Gang
Published: May 2021

The σ)(π Pauli repulsion is revealed as the dominant factor affecting the stereoselectivity of 1,2-alkyl migration of alkynyl boronate complexes. This is due to the cationic silver induced unequal redistribution of alkyne π electron density.
ICT based water-soluble fluorescent probe for discriminating mono and dicarbonyl species and analysis in foods
Authors: Jana Anal , Baruah Mousumi , Munan Subrata , Samanta Animesh
Published: May 2021

A water soluble fluorescent probe is developed for efficient detection and discrimination of reactive 1C-formaldehyde from 2Cs-methylglyoxal and glyoxal by modulating the ICT process and applied in cellular-imaging as well as food analysis.
Revealing the unusual grain growth of nanoparticles in calcination: oriented attachment in the solid state
Authors: Li He , Yuan Mingzhi , Tan Dayong , Susilo Resta A. , Dong Hongliang , Chen Zhiqiang , Zhao Yunlei , Deng Yu , Chen Bin
Published: May 2021

The grain size doubling of nickel nanocrystals in calcination reveals that oriented attachment (OA), which generally involves the use of a liquid medium, can occur in solid state as well and dominate the nano-grain coarsening.
Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power
Authors: Biriukov Klim O. , Vinogradov Mikhail M. , Afanasyev Oleg I. , Vasilyev Dmitry V. , Tsygankov Alexey A. , Godovikova Maria , Nelyubina Yulia V. , Loginov Dmitry A. , Chusov Denis
Published: May 2021

First osmium-catalyzed reductive amination under the water gas–shift reaction conditions was developed. Proposed catalytic system demonstrates high performance even at the catalyst loading as low as 0.0625 mol%.
Influence of the SARS-CoV-2 pandemic: a review from the climate change perspective
Authors: Ukhurebor Kingsley Eghonghon , Singh Kshitij RB , Nayak Vanya , UK-Eghonghon Gladys
Published: May 2021

This perspective article reports the possible relationships between climate change and the SARS-CoV-2/COVID-19 pandemic andvice versa.
Unconventional and facile production of a stimuli-responsive multifunctional system for simultaneous drug delivery and environmental remediation
Authors: Mamidi Narsimha , Delgadillo Ramiro Manuel Velasco , Castrejón Javier Villela
Published: May 2021

Unconventional multifunctional nanocomposite fiber membranes were primed using Forcespinning® followed by the heat pressure method. The obtained membranes displayed simultaneously controlled drug release and removal of Pb2+ and Cd2+ from wastewater.
Application of first-order kinetics modeling to reveal the nature of starch digestion characteristics
Authors: Yu Wenwen , Zhou Xianglong , Li Cheng
Published: May 2021

A more general approach for fitting in vitro starch digestograms by first-order kinetics models is proposed.
Physicochemical property changes and aroma differences of fermented yellow pea flours: role of Lactobacilli and fermentation time
Authors: Li Chun , Chen Xiaoqian , Jin Zhao , Gu Zixuan , Rao Jiajia , Chen Bingcan
Published: May 2021

Selected Lactobacilli demonstrated the potential of utilizing yellow pea flour as the fermentation substrate. The nutritional and functional properties of the fermented yellow pea flour were improved.
Determination of iodine-129 in twenty soil and sediment reference materials
Authors: Zhang Luyuan , Fang Miao , Zhang Tong , Jiang Huan , Zhang Mengting , Hou Xiaolin
Published: May 2021

129I concentrations in twenty soil and sediment certified reference materials were presented for meeting the ever-growing demands in environmental, geological and nulcear sciences, including method development, calibration and quality control, etc.
Long-term repeatability and interlaboratory reproducibility of high-precision ID-TIMS U–Pb geochronology
Authors: Schaltegger Urs , Ovtcharova Maria , Gaynor Sean P. , Schoene Blair , Wotzlaw Jörn-Frederik , Davies Joshua F. H. L. , Farina Federico , Greber Nicolas David , Szymanowski Dawid , Chelle-Michou Cyril
Published: May 2021

This paper presents U, Pb isotopic data of synthetic EARTHTIME solutions and natural reference materials together with suggestions how to ensure long-term intra- and inter-laboratory reproducibility of high-precision TIMS U–Pb geochronology.
Targeting the protease of West Nile virus
Authors: Voss Saan , Nitsche Christoph
Published: May 2021

Protease inhibitors of West Nile virus have long suffered from insufficient drug likeness, which has been tackled in latest advancements.
Rational design of tandem catalysts using a core–shell structure approach
Authors: Gioria Esteban , Duarte-Correa Liseth , Bashiri Najmeh , Hetaba Walid , Schomaecker Reinhard , Thomas Arne
Published: May 2021

An effective route to create spatially controlled ensembles of metallic nanoparticles spaced by a mesoporous shell is presented. This route enables the rational design of multimetallic catalysts and the study of coupled catalytic reactions.
Fluxional chloro-pyrrole–Pd(ii) complex to cationic η2-pyrrole–Pd(ii) complex: subtlety in structure-directed bonding mode
Authors: Saha Debajyoti , Sepay Nayim
Published: May 2021

The fluxional pyrrole ring of a Pd(ii) complex produces a η2-pyrrole–Pd(ii) complex. It is the first report of a η2-pyrrole complex of Pd(ii).
Solvatochromic behaviour of new donor–acceptor oligothiophenes
Authors: D’Anna Francesca , Pandolfi Fabiana , Rocco Daniele , Marullo Salvatore , Feroci Marta , Mattiello Leonardo
Published: May 2021

Spectroscopic studies on new donor–acceptor oligothiophenes were performed in different solvents, and the solvatochromic effects on their structures were explored.
Bimetallic phosphide NixCo1−xP decorated flower-like ZnIn2S4 for enhanced photocatalytic hydrogen evolution
Authors: Wang Yumeng , Zhang Tingting , Wei Tingting , Li Fengyan , Xu Lin
Published: May 2021

2%Ni0.1Co0.9P–ZIS exhibited the highest photocatalyst hydrogen production rate of 3839 μmol g−1 h−1 under visible light irradiation (λ > 420 nm), which is 5.4 times higher than pure ZIS (714 μmol g−1 h−1).
Hollow carbon nanospheres dotted with Gd–Fe nanoparticles for magnetic resonance and photoacoustic imaging
Authors: Zhang Hui , Wu Tianze , Chen Yi , Zhang Qianqian , Chen Zhenxia , Ling Yun , Jia Yu , Yang Yongtai , Liu Xiaofeng , Zhou Yaming
Published: May 2021

Hollow carbon nanospheres (HCSs) dotted with Gd–Fe nanoparticles are prepared and studied, which show enhanced photothermal conversion performance as well as integrated properties of photoacoustic and magnetic resonance imaging.
Wind driven semiconductor electricity generator with high direct current output based on a dynamic Schottky junction
Authors: Yu Xutao , Zheng Haonan , Lu Yanghua , Shen Runjiang , Yan Yanfei , Hao Zhenzhen , Yang Yiwei , Lin Shisheng
Published: May 2021

In this study, a generator based on a metal/semiconductor dynamic Schottky junction has achieved ultrahigh and continuous direct current output by harvesting wind energy.
A review on steel slag valorisation via mineral carbonation
Authors: Ragipani Raghavendra , Bhattacharya Sankar , Suresh Akkihebbal K.
Published: May 2021

Alkaline slags, a waste product of steel industry, provide an opportunity for carbon sequestration and creation of value at the same time. This requires an understanding of the mechanisms of leaching and carbonation.
Protected amino acids as a nonbonding source of chirality in induction of single-handed screw-sense to helical macromolecular catalysts
Authors: Ikeda Shoma , Takeda Ryohei , Fujie Takaya , Ariki Naoto , Nagata Yuuya , Suginome Michinori
Published: May 2021

Achiral poly(quinoxaline-2,3-diyl) containing Ar2P groups undergo dynamic induction of M-helical conformation through nonbonding interaction with protected AA such as Ac-l-Pro-OMe, serving as a chiral ligand in asymmetric cross-coupling with up to 95% ee.
Ultrafast and long-time excited state kinetics of an NIR-emissive vanadium(iii) complex II. Elucidating triplet-to-singlet excited-state dynamics
Authors: Zobel J. Patrick , Knoll Thomas , González Leticia
Published: May 2021

The ultrafast triplet-to-singlet mechanism, responsible for the photoluminescence of the open-shell VIIICl3(ddpd) complex – based on Earth-abundant vanadium – is unraveled using non-adiabatic dynamics in full dimensionality.
Effect of metallosupramolecular polymer concentration on the synthesis of poly[n]catenanes
Authors: Tranquilli Marissa M. , Wu Qiong , Rowan Stuart J.
Published: May 2021

Concentration of the metallosupramolecular polymer precursors have a significant effect on the architecture and size of the resulting poly[n]catenanes formed via a ring closing metathesis step.
A gallic acid based metal organic framework derived NiS/C anode for sodium ion batteries
Authors: Dogrusoz Mehbare , Devic Thomas , Ahsen Ali Şems , Demir-Cakan Rezan
Published: May 2021

A NiS/C sodium-ion battery anode is synthesized from a MOF based on naturally occurring, non-toxic gallic acid.
Mechanically stable structured porous boron nitride with high volumetric adsorption capacity
Authors: Tian Tian , Hou Jingwei , Ansari Humera , Xiong Ying , L'Hermitte Anouk , Danaci David , Pini Ronny , Petit Camille
Published: May 2021

The development of adsorbents into structured and robust forms remains a challenge for emerging porous materials. Here, we address this challenge via a bottom-up approach to produce structured porous boron nitride.
Plasmon-induced catalytic CO2 hydrogenation by a nano-sheet Pt/HxMoO3−y hybrid with abundant surface oxygen vacancies
Authors: Ge Hao , Kuwahara Yasutaka , Kusu Kazuki , Yamashita Hiromi
Published: May 2021

The hybrid of nanosheet-structured HxMoO3−y coupled with Pt exhibits efficient photothermal catalytic hydrogenation of CO2.
Unlocking veiled oxygen redox in Na-based earth-abundant binary layered oxide
Authors: Kim Myungkyu , Kim Hyungjun , Cho Maenghyo , Kim Duho
Published: May 2021

The charge compensation mechanism of P2-type binary Na2/3−x[Mn1/2Fe1/2]O2oxide is reinvestigated to unlock veiled oxygen redox reactions upon charging and their activities are selectively determined by transition metal configurations.
Exploiting the neuroprotective effects of α-klotho to tackle ageing- and neurodegeneration-related cognitive dysfunction
Authors: Hanson Kelsey , Fisher Kate , Hooper Nigel M.
Published: May 2021

Cognitive dysfunction is a key symptom of ageing and neurodegenerative disorders, such as Alzheimer’s disease (AD). Strategies to enhance cognition would impact the quality of life for a significant proportion of the ageing population. The α-klotho protein may protect against cognitive decline through multiple mechanisms: such as promoting optimal synaptic function via activation of N-methyl-d-aspartate (NMDA) receptor signalling; stimulating the antioxidant defence system; reducing inflammation; promoting autophagy and enhancing clearance of amyloid-β. However, the molecular and cellular pathways by which α-klotho mediates these neuroprotective functions have yet to be fully elucidated. Key questions remain unanswered: which form of α-klotho (transmembrane, soluble or secreted) mediates its cognitive enhancing properties; what is the neuronal receptor for α-klotho and which signalling pathways are activated by α-klotho in the brain to enhance cognition; how does peripherally administered α-klotho mediate neuroprotection; and what is the molecular basis for the beneficial effect of the VS variant of α-klotho? In this review, we summarise the recent research on neuronal α-klotho and discuss how the neuroprotective properties of α-klotho could be exploited to tackle age- and neurodegeneration-associated cognitive dysfunction.
Comparative study on the thermal performance of surface‐mounted devices light‐emitting diode packaging with poly(1,4‐cyclohexylenedimethylene terephthalate) and epoxy moulding compound frames
Authors: Zhao Dezhi , Xiong Zhihua , Chen Cong , Niu Yunfei
Published: May 2021

With the emergence of the different light‐emitting diode (LED) packaging materials, the thermal analysis of LED device packaging with different materials has become urgent. The thermal performance of LED packaging with a poly(1,4‐cyclohexylenedimethylene terephthalate) frame (PCT‐LED) and LED packaging with an epoxy moulding compound frame (EMC‐LED) were measured and simulated. The results show that compared with EMC‐LED, PCT‐LED has better optical and thermal performance. The luminous efficiency of PCT‐LED and EMC‐LED is 177.31 and 167.42 lm/W, respectively, under 150 mA at 25°C. PCT‐LED devices have a lower thermal resistance of 15.64°C/W compared with that of EMC‐LED, and under the different temperature and drive current conditions, the excellent thermal characteristic of PCT‐LED devices is significant. Moreover, all simulation results agree well with the experimental results, and the maximum temperature of PCT‐LED falls faster than that of EMC‐LED with a fluid flow rate by thermal simulation. However, EMC‐LED has better antiageing performance. These results are important to guide the application of PCT‐LEDs and EMC‐LEDs.
Domestic smart metering infrastructure and a method for home appliances identification using low‐rate power consumption data
Authors: Paraskevas Ioannis , Barbarosou Maria , Fitton Richard , Swan William
Published: May 2021

The deployment of domestic smart metering infrastructure in Great Britain provides the opportunity for identification of home appliances utilising non‐intrusive load monitoring methods. Identifying the energy consumption of certain home appliances generates useful insights for the energy suppliers and for other bodies with a vested interest in energy consumption. Consequently, the domestic smart metering system, which is an integral part of the smart cities' infrastructure, can also be used for home appliance identification purposes taking into account the limitations of the system. In this article, a step‐by‐step description on accessing data directly from the domestic Smart Meter via an external Consumer Access Device is described, as well as an easy‐to‐implement method for identifying commonly used home appliances through their power consumption signals sampled at a rate similar to the rate available by the domestic smart metering system. The experimental results indicate that the combination of time domain with frequency domain features extracted either from the 1D/2D Discrete Fourier Transform or the Discrete Cosine Transform provides improved recognition performance compared to the case where the time domain or the frequency domain features are used separately.
Calculs probabilistes des déplacements dus à la réalisation de tunnels à l’aide d’un modèle aux éléments finis
Authors: Zhang Yi , Commend Stéphane
Published: May 2021

L’estimation des déplacements dus à la réalisation de tunnels est un sujet important pour les projets des travaux souterrains en sites urbains. Ces déplacements, plus particulièrement les tassements et gonflements, sont souvent l’origine d’endommagements pour les constructions avoisinantes et les ouvrages en cours de construction. Cet article présente le cadre d’une approche probabiliste à l’aide d’un modèle aux éléments finis permettant d’estimer ces déplacements. Cette approche permet de prendre en compte les incertitudes liées aux problèmes géotechniques (manque de données d’entrée, variabilité spatiale des sols, etc.). Une méthode pour la vérification probabiliste des déplacements est tout d’abord définie à l’aide du calcul de la probabilité de défaillance Pf (ou de l’indice de fiabilité β) en fonction des niveaux cibles de sécurité ou performance. Elle est ensuite appliquée à un tunnel réalisé en méthode conventionnelle grâce au couplage des outils ZSOIL et UQLab. Les évaluations de fiabilité (probabilité de défaillance et indice de fiabilité) de la fonction de sécurité basées sur les résultats des calculs aux éléments finis ont été réalisées avec succès à l’aide des méthodes FORM, AK-MCS et MCS. Cette approche probabiliste illustre l’évaluation de la fiabilité aux cas ELS selon les Eurocodes.
Systematic investigation of the pulsed barrier discharges in flowing and stationary gas: From differences to similarities
Authors: Chiper Alina Silvia
Published: May 2021

Pulsed dielectric barrier discharges in flowing and stationary helium at atmospheric pressure are comparatively studied. The discharges are generated in plane-parallel configuration and driven by positive voltage pulses. The intensified charge coupled device imaging and electrical measurements are used for temporally, spatially, and spectrally resolved discharge emission. The populations of excited states are investigated by optical emission and absorption spectroscopy. The discharge operating in flowing helium is characterized by a single current pulse per each voltage flank and a “residual current peak.” In stationary helium or in flowing helium with low velocity (<10 cm/s), multiple current pulses are observed. The appearance of the subsequent current pulse(s) is related to the disappearance of the “residual current peak.” Besides these differences between the two discharge regimes, some similarities are also registered. The maximum emission intensity is reached at the cathode, even for the subsequent current pulses formed in stationary helium, confirming the generation of the glow and multi-glow discharges. Also, the most important similarities between the discharges working in stationary helium and in flowing gas mixture, in relation to flowing helium mode, are discussed. Finally, the subsequent current pulses formed in multi-glow discharges are due to re-ignition of the discharge dominantly by direct electronic excitation and ionization processes, not by Penning ionization, because of the decrease in metastable atoms density and their lifetime. In addition, the metastable lifetime reaches a critical value, for which the discharge transits from glow to multi-glow mode, when the gas velocity or its composition changes.
Peculiarities of the Z-mode propagation in the ionosphere
Authors: Borisov N.
Published: May 2021

An ordinary high frequency radio wave radiated at the Spitze angle after reflection from the ionosphere does not return to the ground. It is converted into the Z-mode, and in the vicinity of the critical height, this mode becomes quasi-electrostatic and it is absorbed by electrons. This well-known result obtained in the cold plasma approximation is revised in our paper. It is shown that the Z-mode twice changes the direction of propagation in the vicinity of the critical height. When the Z-mode becomes quasi-electrostatic due to the increase in the vertical wave number, thermal corrections come into play. It is argued that this wave changes the direction of its vertical component of the group velocity at a particular altitude slightly smaller than the critical height. Various nonlinear effects (modulation instability, formation of solitons, and acceleration of electrons) possibly take place in the localized region near the reflection height.
Direct numerical simulation of turbulent heat transfer in concentric annular pipe flows
Authors: Bagheri Edris , Wang Bing-Chen
Published: May 2021

The effect of radius ratio on turbulent convective heat transfer within a concentric annular pipe has been studied using direct numerical simulation. Four radius ratios (Ri/Ro = 0.1–0.7) have been compared at a fixed Reynolds number, where Ri and Ro denote the radii of the inner and outer pipes, respectively. The statistical moments of the temperature field, budget balances of the temperature variance and turbulent heat fluxes, and turbulence structures that dominate the heat transfer process have been thoroughly studied in both physical and spectral spaces. It is observed that the radius ratio has a significant impact on the Nusselt numbers and skin friction coefficients of the inner and outer cylinder walls, and on the interaction of thermal boundary layers developed over these two curved walls. Owing to the curvature difference between the two cylinder surfaces, the thermal boundary layer developed over the outer cylinder wall is thicker than that over the inner cylinder wall. Also, turbulent heat transfer is more intense on the outer cylinder side than on the inner cylinder side. As the radius ratio decreases, the difference in turbulence statistics between the inner and outer cylinder sides becomes increasingly pronounced. It is also observed that both axial and azimuthal characteristic length scales of the most energetic turbulent thermal structures are larger on the inner cylinder side than on the outer cylinder side.
An approach for fabrication of micrometer linear ZnO/Ti3C2Tx UV photodetector with high responsivity and EQE
Authors: Cao Fa , Pan Zhihu , Ji Xiaohong
Published: May 2021

Two-dimensional MXenes have shown impressive semiconductor-like properties associated with their ultrathin-atomic-layer structure. Herein, ZnO/Ti3C2Tx hybrid structures were fabricated by a simple dipping method. Photodetectors (PDs) made of ZnO/Ti3C2Tx hybrid on glass fiber exhibit significantly enhanced photodetect ability. The responsivity of ZnO/Ti3C2Tx PD is 5.05 A/W when illuminated by 365 nm light (0.28 mW/cm2) at a bias of 5 V, which is 360 times that of ZnO PD (0.014 A/W). The synergistic effect of the formation of the novel heterostructure and the high conductivity of Ti3C2Tx played a major role in the enhanced photodetect performance. The high responsivity of 7.01 A/W and the high external quantum efficiency of 2386% for ZnO/Ti3C2Tx PD give it great potential for a UV light photoswitch and image sensor. This work sheds light on the utilization of two-dimensional MXene materials in high-performance optoelectronic devices.