bluuebunny/crossref_metadata_2025 huggingface dataset:
Deciphering the molecular mechanism of water boiling at heterogeneous interfaces
Authors: Karalis Konstantinos , Zahn Dirk , Prasianakis Nikolaos I. , Niceno Bojan , Churakov Sergey V.
Published: October 2021

Water boiling control evolution of natural geothermal systems is widely exploited in industrial processes due to the unique non-linear thermophysical behavior. Even though the properties of water both in the liquid and gas state have been extensively studied experimentally and by numerical simulations, there is still a fundamental knowledge gap in understanding the mechanism of the heterogeneous nucleate boiling controlling evaporation and condensation. In this study, the molecular mechanism of bubble nucleation at the hydrophilic and hydrophobic solid–water interface was determined by performing unbiased molecular dynamics simulations using the transition path sampling scheme. Analyzing the liquid to vapor transition path, the initiation of small void cavities (vapor bubbles nuclei) and their subsequent merging mechanism, leading to successively growing vacuum domains (vapor phase), has been elucidated. The molecular mechanism and the boiling nucleation sites’ location are strongly dependent on the solid surface hydrophobicity and hydrophilicity. Then simulations reveal the impact of the surface functionality on the adsorbed thin water molecules film structuring and the location of high probability nucleation sites. Our findings provide molecular-scale insights into the computational aided design of new novel materials for more efficient heat removal and rationalizing the damage mechanisms.
Removal of oil spills by novel developed amphiphilic chitosan-g-citronellal schiff base polymer
Authors: Omer Ahmed Mohamed , Eweida Basant Yossry , Tamer Tamer Mahmoud , Soliman Hesham M. A. , Ali Safaa Mohamed , Zaatot Ahmed Amin , Mohy-Eldin Mohamed Samir
Published: October 2021

A novel chitosan grafted citronellal (Ch-Cit) schiff base amphiphilic polymer was developed for the adsorptive removal of oil spills. The chemical structure was verified by FT-IR spectroscopy and 1H NMR spectrometer, while the morphological changes and surface area were investigated by SEM and BET analysis tools. The amphiphilic character of Ch-Cit schiff base was controlled through variation of the grafting percentage (G%) of citronellal from 11 to 61%. Dramatic changes in the ion exchange capacity (IEC), solubility and water uptake profiles were established, while the oil adsorption capacity was founded in direct relation with the G (%) of citronellal. Operational conditions such as oil amount, adsorption time, adsorbent dose and agitation speed were investigated. The developed Ch-Cit schiff base exhibited a higher surface area (115.94 m2/g) compared to neat chitosan (57.78 m2/g). The oil adsorption capacity of the Ch-Cit schiff base was greatly improved by 166% and 120% for light crude and heavy crude oil, respectively. Finally, the adsorption process was optimized using response surface methodology (RSM).The results substantiate that the amphiphilic Ch-Cit schiff base could be efficiently applied as a low-cost oil-adsorbent for the removal of crude oil spills from sea-water surfaces.
Genetic effects on longitudinal cognitive decline during the early stages of Alzheimer’s disease
Authors: Kumar Atul , Shoai Maryam , Palmqvist Sebastian , Stomrud Erik , Hardy John , Mattsson-Carlgren Niklas , Hansson Oskar
Published: October 2021

Cognitive decline in early-stage Alzheimer’s disease (AD) may depend on genetic variability. In the Swedish BioFINDER study, we used polygenic scores (PGS) (for AD, intelligence, and educational attainment) to predict longitudinal cognitive change (measured by mini-mental state examination (MMSE) [primary outcome] and other cognitive tests) over a mean of 4.2 years. We included 260 β-amyloid (Aβ) negative cognitively unimpaired (CU) individuals, 121 Aβ-positive CU (preclinical AD), 50 Aβ-negative mild cognitive impairment (MCI) patients, and 127 Aβ-positive MCI patients (prodromal AD). Statistical significance was determined at Bonferroni corrected p value < 0.05. The PGS for intelligence (beta = 0.1, p = 2.9e−02) was protective against decline in MMSE in CU and MCI participants regardless of Aβ status. The polygenic risk score for AD (beta =  − 0.12, p = 9.4e−03) was correlated with the rate of change in MMSE and was partially mediated by Aβ-pathology (mediation effect 20%). There was no effect of education PGS on cognitive measures. Genetic variants associated with intelligence mitigate cognitive decline independent of Aβ-pathology, while effects of genetic variants associated with AD are partly mediated by Aβ-pathology.
Pulse sharpness as a quantitative index of vascular aging
Authors: Bae Jang-Han , Jeon Young Ju
Published: October 2021

The aim of this study was to develop a robust algorithm to quantify pulse sharpness that can complement the limitations of radial augmentation index (rAIx) and explore the role of this quantitative sharpness index in reflecting vascular aging or arterial stiffness. The pulse sharpness index (PSI) was developed by combining the end point angle and virtual height, and 528 radial pulses were analyzed. The PSI could be uniformly applied to various waveform morphologies, even those with no or vague tidal waves, unlike the rAIx. Significant sex differences were identified in the rAIx and PSI (P < 0.01 for both), and significant age-dependent decreases in the PSI were observed (P < 0.01). In addition, the PSI and age were correlated (r = − 0.550) at least as strong as the rAIx and age (r = 0.532), and the PSI had a significant negative correlation with arterial stiffness (r = − 0.700). Furthermore, the multiple linear regression model for arterial stiffness using the PSI, age, sex and heart rate showed the excellent performance (cross-validated R2 = 0.701), and the PSI was found to have the greatest influence on arterial stiffness. This study confirmed that the PSI could be a quantitative index of vascular aging and has potential for use in inferring arterial stiffness with an advantage over the rAIx.
Transcriptomic analysis revealed increased expression of genes involved in keratinization in the tears of COVID-19 patients
Authors: Mastropasqua Leonardo , Toto Lisa , Chiricosta Luigi , Diomede Francesca , Gugliandolo Agnese , Silvestro Serena , Marconi Guya Diletta , Sinjari Bruna , Vecchiet Jacopo , Cipollone Francesco , D’Ardes Damiano , Auricchio Antonio , Lanzini Manuela , Caputi Sergio , D’Aloisio Rossella , Mazzon Emanuela , Trubiani Oriana
Published: October 2021

Recent studies have focused their attention on conjunctivitis as one of the symptoms of coronavirus disease 2019 (COVID-19). Therefore, tear samples were taken from COVID-19 patients and the presence of SARS-CoV-2 was evidenced using Real Time reverse transcription polymerase chain reaction. The main aim of this study was to analyze mRNA expression in the tears of patients with COVID-19 compared with healthy subjects using Next Generation Sequencing (NGS). The functional evaluation of the transcriptome highlighted 25 genes that differ statistically between healthy individuals and patients affected by COVID-19. In particular, the NGS analysis identified the presence of several genes involved in B cell signaling and keratinization. In particular, the genes involved in B cell signaling were downregulated in the tears of COVID-19 patients, while those involved in keratinization were upregulated. The results indicated that SARS-CoV-2 may induce a process of ocular keratinization and a defective B cell response.
Proteomics analysis identifies PEA-15 as an endosomal phosphoprotein that regulates α5β1 integrin endocytosis
Authors: Caliva Maisel J. , Yang Won Seok , Young-Robbins Shirley , Zhou Ming , Yoon Hana , Matter Michelle L. , Grimes Mark L. , Conrads Thomas , Ramos Joe William
Published: October 2021

Endosomal trafficking of cell surface receptors is essential to their function. Integrins are transmembrane receptors that integrate adhesion to the extracellular matrix with engagement of the cytoskeleton. Ligated integrins mediate diverse signals that regulate matrix assembly, cell survival, cell morphology, and cell motility. Endosomal trafficking of integrins modulates these signals and contributes to cell motility and is required for cancer cell invasion. The phosphoprotein PEA-15 modulates integrin activation and ERK MAP Kinase signaling. To elucidate novel PEA-15 functions we utilized an unbiased proteomics approach. We identified several binding partners for PEA-15 in the endosome including clathrin and AP-2 as well as integrin β1 and other focal adhesion complex proteins. We confirmed these interactions using proximity ligation analysis, immunofluorescence imaging, pull-down and co-immunoprecipitation. We further found that PEA-15 is enriched in endosomes and was required for efficient endosomal internalization of α5β1 integrin and cellular migration. Importantly, PEA-15 promotion of migration was dependent on PEA-15 phosphorylation at serines 104 and 116. These data support a novel endosomal role for PEA-15 in control of endosomal trafficking of integrins through an association with the β1 integrin and clathrin complexes, and thereby regulation of cell motility.
Electrical and dielectric parameters in TiO2-NW/Ge-NW heterostructure MOS device synthesized by glancing angle deposition technique
Authors: Singh H. Manas , Lim Ying Ying , Chinnamuthu P.
Published: October 2021

This paper reports the catalyst-free coaxial TiO2/Ge-nanowire (NW) heterostructure synthesis using the glancing angle deposition (GLAD) technique integrated into an electron beam evaporator. The frequency and voltage dependence of the capacitance–voltage (C–V) and conductance–voltage (G/ω–V) characteristics of an Ag/TiO2-NW/Ge-NW/Si device over a wide range of frequency (10 kHz–5 MHz) and voltage (− 5 V to + 5 V) at room temperature were investigated. The study established strong dependence on the applied frequency and voltage bias. Both C–V and G/ω–V values showed wide dispersion in depletion region due to interface defect states (Dit) and series resistance (Rs). The C and G/ω value decreases with an increase in applied frequency. The voltage and frequency-dependent Dit and Rs were calculated from the Hill-Coleman and Nicollian–Brews methods, respectively. It is observed that the overall Dit and Rs for the device decrease with an increase in the frequency at different voltages. The dielectric properties such as dielectric constant ($$\upepsilon$$
ϵ
′), loss ($$\upepsilon$$
ϵ
″) and loss tangent (tan δ) were determined from the C–V and G/ω–V measurements. It is observed that $$\upepsilon$$
ϵ
′, $$\upepsilon$$
ϵ
″ decreases with the increase in frequency. Therefore, the proposed MOS structure provides a promising alternative approach to enhance the device capability in the opto-electronics industry.
Increased survival in puppies affected by Canine Parvovirus type II using an immunomodulator as a therapeutic aid
Authors: Muñoz Adriana I. , Vallejo-Castillo Luis , Fragozo Ana , Vázquez-Leyva Said , Pavón Lenin , Pérez-Sánchez Gilberto , Soria-Castro Rodolfo , Mellado-Sánchez Gabriela , Cobos-Marin Laura , Pérez-Tapia Sonia Mayra
Published: October 2021

Canine parvovirus type II (CPV-2) infection induces canine parvoviral enteritis (CPE), which in turn promotes sepsis and systemic inflammatory response syndrome (SIRS). Mortality in this disease is usually registered within 48–72 h post-hospitalization, the critical period of the illness. It has been recently described that the use of an immunomodulator, whose major component is monomeric ubiquitin (mUb) without the last two glycine residues (Ub∆GG), in pediatric human patients with sepsis augments survival. It is known that CXCR4 is the cell receptor of extracellular ubiquitin in humans. This work aimed to explore the effect of one immunomodulator (human Dialyzable Leukocyte Extract-hDLE) as a therapeutic auxiliary in puppies with sepsis and SIRS induced by CPE. We studied two groups of puppies with CPV-2 infection confirmed by polymerase chain reaction. The first group received conventional treatment (CT) and vehicle (V), while the second group received CT plus the immunomodulator (I). We assessed both groups' survival, clinical condition, number of erythrocytes, neutrophils, and lymphocytes during the hospitalization period. In addition, hematocrit, hemoglobin, plasma proteins and cortisol values, as well as norepinephrine/epinephrine and serotonin concentration were determined. Puppies treated with CT + I showed 81% survival, mild clinical signs, and a significant decrease in circulating neutrophils and lymphocytes in the critical period of the treatment. In contrast, the CT + V group presented a survival of 42%, severe clinical status, and no improvement of the parameters evaluated in the critical period of the disease. We determined in silico that human Ub∆GG can bind to dog CXCR4. In conclusion, the administration of a human immunomodulator (0.5 mg/day × 5 days) to puppies with CPE under six months of age reduces the severity of clinical signs, increases survival, and modulates inflammatory cell parameters. Further studies are necessary to take full advantage of these clinical findings, which might be mediated by the human Ub∆GG to canine CXCR4 interaction.
Facile and versatile ligand analysis method of colloidal quantum dot
Authors: Kim Jin Hae , Park Hyokeun , Kim Tae-Gon , Lee Hyunmi , Jun Shinae , Lee Eunha , Jeon Woo Sung , Chung Jaegwan , Jung In-Sun
Published: October 2021

Colloidal quantum-dots (QDs) are highly attractive materials for various optoelectronic applications owing to their easy maneuverability, high functionality, wide applicability, and low cost of mass-production. QDs usually consist of two components: the inorganic nano-crystalline particle and organic ligands that passivate the surface of the inorganic particle. The organic component is also critical for tuning electronic properties of QDs as well as solubilizing QDs in various solvents. However, despite extensive effort to understand the chemistry of ligands, it has been challenging to develop an efficient and reliable method for identifying and quantifying ligands on the QD surface. Herein, we developed a novel method of analyzing ligands in a mild yet accurate fashion. We found that oxidizing agents, as a heterogeneous catalyst in a different phase from QDs, can efficiently disrupt the interaction between the inorganic particle and organic ligands, and the subsequent simple phase fractionation step can isolate the ligand-containing phase from the oxidizer-containing phase and the insoluble precipitates. Our novel analysis procedure ensures to minimize the exposure of ligand molecules to oxidizing agents as well as to prepare homogeneous samples that can be readily analyzed by diverse analytical techniques, such as nuclear magnetic resonance spectroscopy and gas-chromatography mass-spectrometry.
Lipid accumulation by Coelastrella multistriata (Scenedesmaceae, Sphaeropleales) during nitrogen and phosphorus starvation
Authors: Maltsev Yevhen , Krivova Zinaida , Maltseva Svetlana , Maltseva Kateryna , Gorshkova Elena , Kulikovskiy Maxim
Published: October 2021

A novel freshwater strain of Coelastrella multistriata MZ–Ch23 was discovered in Tula region, Russia. The identification is based on morphological features, phylogenetic analysis of SSU rDNA gene and ITS1–5.8S rDNA–ITS2 region and predicted secondary structure of the ITS2. Phylogenetic analysis places the novel strain in the “core” Coelastrella clade within the Chlorophyceae. This is the first record of Coelastrella multistriata in the algal flora of Russia. Cultivation experiments were carried out to evaluate growth dynamics of the newly identified strain and the impact of nitrogen and/or phosphorus depletion on the fatty acid profiles and lipid productivity. On the fully supplemented Bold’s basal medium and under phosphorus-depleted conditions as well, the fatty acid profiles were dominated by α-linolenic acid (29.4–38.1% of total fatty acids). Depletion of either nitrogen or both nitrogen and phosphorus was associated with increased content of oleic acid (32.9–33.7%) and linoleic acid (11.9%). Prolongation of the growth to two months (instead of 25 days) resulted in increased content and diversity of very long-chain fatty acids including saturated species. The total very long-chain fatty acid content of 9.99% achieved in these experiments was 1.9–12.3-fold higher than in stress experiments. The highest variation was observed for oleic acid (3.4–33.7%). The novel strain showed the ability to accumulate lipids in amounts up to 639.8 mg L−1 under nitrogen and phosphorus starvation, which exceeds the previously obtained values for most Coelastrella strains. Thus, the newly identified MZ–Ch23 strain can be considered as a potential producer of omega-3 fatty acids on fully supplemented Bold’s basal medium or as a source of biomass with high content of saturated and monounsaturated fatty acids after nitrogen and phosphorus starvation.
Association of short sleep duration and trabecular bone score
Authors: Shiao Yi-Chih , Chen Wan-Ting , Chen Wei-Liang
Published: October 2021

Short sleep duration has been found to be associated with bone health deterioration by using bone mineral density (BMD). Only a few attempts have been made to assess the association of sleep duration and bone by utilizing the trabecular bone score (TBS). The aim of this study was to examine the association between sleep duration and TBS from a national database. A total of 4480 eligible participants older than 20 years who attended the United States National Health and Nutrition Examination Survey (NHANES) from 2005 to 2006 with TBS data and self-reported sleep duration. The association between sleep duration and TBS was investigated using a multivariate regression model with covariate adjustment. TBS was lowest in individuals with a short sleep duration (≤ 5 h) and it was increased in those with longer self-reported total sleep times. After a full adjustment for covariates, those sleeping less than 5 h had a significantly lower TBS than the reference group (sleep duration of 7 h). In subgroup analyses, an association between short sleep duration (≤ 5 h) and lower TBS persisted in older ages (≥ 60 years old), women, obese adults (BMI ≥ 30 kg/m2), and non-Hispanic Whites. Short sleep duration is associated with low TBS in women, obese adults (BMI ≥ 30 kg/m2), and non-Hispanic whites. Strict self-monitoring of body weight, well-tailored controls of underlying disease(s), and adequate sleep may help prevent osteoporosis.
Validation of a new fully automated software for 2D digital mammographic breast density evaluation in predicting breast cancer risk
Authors: Giorgi Rossi Paolo , Djuric Olivera , Hélin Valerie , Astley Susan , Mantellini Paola , Nitrosi Andrea , Harkness Elaine F. , Gauthier Emilien , Puliti Donella , Balleyguier Corinne , Baron Camille , Gilbert Fiona J. , Grivegnée André , Pattacini Pierpaolo , Michiels Stefan , Delaloge Suzette
Published: October 2021

We compared accuracy for breast cancer (BC) risk stratification of a new fully automated system (DenSeeMammo—DSM) for breast density (BD) assessment to a non-inferiority threshold based on radiologists’ visual assessment. Pooled analysis was performed on 14,267 2D mammograms collected from women aged 48–55 years who underwent BC screening within three studies: RETomo, Florence study and PROCAS. BD was expressed through clinical Breast Imaging Reporting and Data System (BI-RADS) density classification. Women in BI-RADS D category had a 2.6 (95% CI 1.5–4.4) and a 3.6 (95% CI 1.4–9.3) times higher risk of incident and interval cancer, respectively, than women in the two lowest BD categories. The ability of DSM to predict risk of incident cancer was non-inferior to radiologists’ visual assessment as both point estimate and lower bound of 95% CI (AUC 0.589; 95% CI 0.580–0.597) were above the predefined visual assessment threshold (AUC 0.571). AUC for interval (AUC 0.631; 95% CI 0.623–0.639) cancers was even higher. BD assessed with new fully automated method is positively associated with BC risk and is not inferior to radiologists’ visual assessment. It is an even stronger marker of interval cancer, confirming an appreciable masking effect of BD that reduces mammography sensitivity.
Geometry of anchoring miniscrew in the lateral palate that support a tissue bone borne maxillary expander affects neighboring root damage
Authors: Oh Song Hee , Lee Sae Rom , Choi Jin-Young , Ahn Hyo-Won , Kim Seong-Hun , Nelson Gerald
Published: October 2021

Anchoring miniscrews used for a tissue bone borne maxillary expander (C-expander) can fail if they contact tooth roots or perforate the maxillary sinus. Cone beam computed tomography images were reviewed retrospectively to evaluate the geometric factors of miniscrew placement in the palate that contribute to root proximity (RP) and sinus perforation (SP), and to investigate the differences of miniscrew placement depth (PD) and placement angle (PA) among the groups in each variable from 340 anchoring miniscrews on 70 patients whose C-expanders showed sufficient stability after palatal expansion for orthodontic treatment. Two types of miniscrews were used: a self-tapping miniscrew with 1.8 mm-in-diameter, and a self-drilling miniscrew with 1.6 mm-in-diameter. While the self-tapping larger diameter miniscrew influenced root proximity significantly, the screw location and PD affected the rate of sinus perforation. PA was significantly different between the right and left sides of the palate. The results of this study confirmed that root proximity and sinus perforation of anchoring miniscrews in a tissue bone borne palatal expander occurred due to certain risk factors, even when the palates were expanded successfully. Knowledge of these factors can help the clinician place miniscrews with less risk of root proximity or sinus perforation.
The structure of a plant-specific partitivirus capsid reveals a unique coat protein domain architecture with an intrinsically disordered protrusion
Authors: Byrne Matthew , Kashyap Aseem , Esquirol Lygie , Ranson Neil , Sainsbury Frank
Published: October 2021

Persistent plant viruses may be the most common viruses in wild plants. A growing body of evidence for mutualism between such viruses and their hosts, suggests that they play an important role in ecology and agriculture. Here we present the capsid structure of a plant-specific partitivirus, Pepper cryptic virus 1, at 2.9 Å resolution by Cryo-EM. Structural features, including the T = 1 arrangement of 60 coat protein dimers, are shared with fungal partitiviruses and the picobirnavirus lineage of dsRNA viruses. However, the topology of the capsid is markedly different with protrusions emanating from, and partly comprising, the binding interface of coat protein dimers. We show that a disordered region at the apex of the protrusion is not required for capsid assembly and represents a hypervariable site unique to, and characteristic of, the plant-specific partitiviruses. These results suggest a structural basis for the acquisition of additional functions by partitivirus coat proteins that enables mutualistic relationships with diverse plant hosts.
Continuous enzymatic stirred tank reactor cascade with unconventional medium yielding high concentrations of (S)-2-hydroxyphenyl propanone and its derivatives
Authors: Oeggl Reinhard , Glaser Juliane , von Lieres Eric , Rother Dörte
Published: October 2021

How can high product concentrations be continuously provided, while dealing with substrate toxicity? Which method leads to a straight forward product isolation? The example of a model based process intensification shows how.
Multifarious applications of bioactive glasses in soft tissue engineering
Authors: Majumdar Shreyasi , Gupta Smriti , Krishnamurthy Sairam
Published: October 2021

Bioactive glasses are the third generation biomaterial exhibiting soft tissue regenerative properties. They promote vascularization of the tissue-engineered construct required for tissue regeneration without posing significant adverse effects.
Quantitative evaluation of O2 activation half-reaction for Fe–N–C in oxidase-like activity enhancement
Authors: Chen Xinghua , Zhu Caixia , Xu Yuan , Wang Kaiyuan , Cao Xuwen , Shen Yanfei , Liu Songqin , Zhang Yuanjian
Published: October 2021

Beyond the conventional study of structure–activity relationships, exploration of half-reactions by an electrochemical method provides a facile quantitative approach to disclose the factors for oxidase-like catalyst activity.
Enhanced water stability and high CO2 storage capacity of a Lewis basic sites-containing zirconium metal–organic framework
Authors: Demir Selçuk , Bilgin Nuray , Cepni Hamide Merve , Furukawa Hiroyasu , Yilmaz Fatih , Altintas Cigdem , Keskin Seda
Published: October 2021

MOF-553 with its 6,6′-dimethyl-2,2′-bipyridine-5,5′-dicarboxylate linker is more robust and has a higher CO2 adsorption capacity than the 2,2′-bipyridine-5,5′-dicarboxylate containing UiO-67(bipy) MOF.
All-solid-state Z-scheme Ag3PO4/CSs/AgBr heterostructures for efficient visible-light photocatalysis and the photocatalytic mechanism
Authors: Li Nan , Fan Guodong , Fan Miaomiao , Wu Fan , Zhang Guoxian , Fan Di
Published: October 2021

Using CSs as a charge carrier transfer bridge for constructing Z-scheme Ag3PO4/CSs/AgBr photocatalysts has high-efficiency catalytic ability. The Ag3PO4-CSs interface and the CSs-AgBr interface are ohmic contact and Schottky contact, respectively.
Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives
Authors: Yin Wen-Jin , Tan Hua-Jian , Ding Pei-Jia , Wen Bo , Li Xi-Bo , Teobaldi Gilberto , Liu Li-Min
Published: October 2021

Owing to peculiar properties such as tunable electronic band gaps and coexistence of Rashba, excitonic and piezoelectric effects, low-dimensional Janus transition metal chalcogenides have received growing attention across different research areas.
Synthesis of ultrafine polymer nanofibers
Authors: Meng Hongyu , Qiao Xuezhi
Published: October 2021

Ultrafine polydivinylbenzene nanofiber composites are obtained by adding a small amount of Fe3O4 nanoparticles during polymerization. Through ultrasonic disruption and magnetic separation, we can obtain purified ultrafine nanofibers without Fe3O4 nanoparticles.
Dynamic processes in transient phases during self-assembly of organic semiconductor thin films
Authors: Wan Jing , Li Yang , Benson Jared , Miller Richards , Zhernenkov Mikhail , Freychet Guillaume , Headrick Randall L.
Published: October 2021

Crystallization of organic semiconductor small molecules from solution proceeds in multiple steps. This study describes how asymmetric molecules lead to long-lived transient phases and their impact on carrier mobility for electronic devices.
Conformational evolution following the sequential molecular dehydrogenation of PMDI on a Cu(111) surface
Authors: Liu Lacheng , Timmer Alexander , Kolodzeiski Elena , Gao Hong-Ying , Mönig Harry , Klaasen Henning , Meng Xiangzhi , Ren Jindong , Studer Armido , Amirjalayer Saeed , Fuchs Harald
Published: October 2021

The stepwise dehydrogenations of aromatic N–H and C–H groups in PMDI which induce conformational changes at Cu(111) surface were studied by STM imaging combined with XPS measurements and DFT calculations.
Synthesis of Cu3N and Cu3N–Cu2O multicomponent mesocrystals: non-classical crystallization and nanoscale Kirkendall effect
Authors: Primc Darinka , Indrizzi Luca , Tervoort Elena , Xie Fang , Niederberger Markus
Published: October 2021

By combining the non-classical crystallization with the nanoscale Kirkendall effect, Cu3N mesocrystals are synthesized by a surfactant-assisted method and transformed into heterostructured Cu3N–Cu2O mesocrystals and Cu2O nanocages.
Synthesis of fullerenyl-1,2,3-triazoles by reaction of fullerenyl azide with terminal acetylenes
Authors: Sadretdinova Zarema R. , Akhmetov Arslan R. , Tulyabaev Artur R. , Budnikova Yulia H. , Dudkina Yulia B. , Tuktarov Airat R. , Dzhemilev Usein M.
Published: October 2021

Fullerenyltriazoles were synthesized by the interaction of azidofullerene with terminal acetylenes, in which the heterocyclic fragment is directly attached to the fullerene core.
Recognition of double-stranded DNA using LNA-modified toehold Invader probes
Authors: Adhikari Shiva P. , Vukelich Philip , Guenther Dale C. , Karmakar Saswata , Hrdlicka Patrick J.
Published: October 2021

Toehold Invader probes enable sequence-unrestricted recognition of chromosomal DNA targets. Introduction of affinity-enhancing LNA monomers in the single-stranded toeholds further facilitates the invasion process.
Degradability, thermal stability, and high thermal properties in spiro polycycloacetals partially derived from lignin
Authors: Shen Minjie , Vijjamarri Srikanth , Cao Hongda , Solis Karla , Robertson Megan L.
Published: October 2021

Spiro polycycloacetals were synthesized from vanillin and syringaldehyde, along with high-performance co-monomers, exhibiting high glass transition temperatures and thermal stabilities, and rapid rates of hydrolysis in acidic solutions.
Design, preparation, and characterization of CS/PVA/SA hydrogels modified with mesoporous Ag2O/SiO2 and curcumin nanoparticles for green, biocompatible, and antibacterial biopolymer film
Authors: Farazin Ashkan , Mohammadimehr Mehdi , Ghasemi Amir Hossein , Naeimi Hossein
Published: October 2021

CS/PVA/SA hydrogels modified with mesoporous Ag2O/SiO2 and curcumin nanoparticles for antibacterial biopolymer film.
Using dual exonucleases to finely distinguish structural adjustment of aptamers for small-molecule detection
Authors: Wang Lancheng , Zhou Huimin , Yan Kun , Xu Peng , Di Bin , Hu Chi , Su Mengxiang
Published: October 2021

Dual exonucleases to finely distinguish structural adjustment of aptamers to produce absolute differentiation between digestion and inhibition.
Carbonic anhydrase/formate dehydrogenase bienzymatic system for CO2 capture, utilization and storage
Authors: Sato Ryohei , Amao Yutaka
Published: October 2021

In order to establish carbon capture, utilization, and storage (CCUS) technology, a system consisting of two different biocatalysts (formate dehydrogenase from Candida boidinii; CbFDH and carbonic anhydrase from bovine erythrocytes; CA) is developed.
Diastereoselective formation of homochiral flexible perylene bisimide cyclophanes and their hybrids with fullerenes
Authors: Solymosi Iris , Krishna Swathi , Nuin Edurne , Maid Harald , Scholz Barbara , Guldi Dirk M. , Pérez-Ojeda M. Eugenia , Hirsch Andreas
Published: October 2021

Perylene bisimide (PBI) cyclophanes linked by flexible malonates were functionalized with fullerenes. Modulation of the chemical environment enhances the chiral self-sorting, leading exclusively to the homochiral diastereomeric pair (M,M)/(P,P).
Chromium carbides and cyclopropenylidenes
Authors: Kurogi Takashi , Irifune Keiichi , Takai Kazuhiko
Published: October 2021

Carbon tetrabromide can be reduced with CrBr2in THF to form a dinuclear carbido complex, [CrBr2(thf)2)][CrBr2(thf)3](μ-C), along with formation of [CrBr3(thf)3].
Intermetallic compounds M2Pt (M = Al, Ga, In, Sn) in the oxygen evolution reaction
Authors: Barrios Jiménez Ana María , Ormeci Alim , Burkhardt Ulrich , Altendorf Simone G. , Kaiser Felix , Veremchuk Igor , Auffermann Gudrun , Grin Yuri , Antonyshyn Iryna
Published: October 2021

The OER activity of isostructural M2Pt (M = Al, Ga, In, Sn) compounds is governed by the nature of counterpart element (M), its leaching rate and corresponding change of the Pt electronic state.
Use of a Lewis acid, a Brønsted acid, and their binary mixtures for the liquefaction of lignocellulose by supercritical ethanol processing
Authors: Alper Koray , Wang Yun-Yan , Meng Xianzhi , Tekin Kubilay , Karagoz Selhan , Ragauskas Arthur J.
Published: October 2021

The supercritical ethanol liquefaction of teak wood was carried out at 300 °C for 30 min without and with the use of Mg(ClO4)2, HClO4, and HClO4/Mg(ClO4)2 at various loadings (2–10 mmol).
Cationic polymeric template-mediated preparation of silica nanocomposites
Authors: Sun Xiaoning , Yu Xueying , Cheng Fang , He Wei
Published: October 2021

Cationic templates mediating biomimetic silica synthesis include biomacromolecules, water-soluble synthetic polymers, latex particles, micelles, microgels, etc., leading to nanocomposites with great potentials for a variety of applications.
Polymorphic microstructure of MDI/BD-block polyurethane as determined by temperature-sensitive conformation variation
Authors: Wang Zeyu , Li Xuke , Pöselt Elmar , Eling Berend , Liao Tao , Wang Zongbao
Published: October 2021

MDI/BD-block thermoplastic polyurethanes (TPUs) crystallized at different isothermal temperatures and different cooling rates were investigated using multiple techniques.
Porous polyamine/PEO composite solid electrolyte for high performance solid-state lithium metal batteries
Authors: Li Chenghan , Zhou Shi , Dai Lijie , Zhou Xuanyi , Zhang Biao , Chen Liwen , Zeng Tao , Liu Yating , Tang Yongfu , Jiang Jie , Huang Jianyu
Published: October 2021

A novel high performance PEO-based composite solid electrolyte was synthesized with an ultra-light porous polyamine as a filler which is conducive to enhancing Li+ ion transport and forming a LiF-rich-solid electrolyte interface (SEI) layer.
Achieving high-performance energy harvesting and self-powered sensing in a flexible cellulose nanofibril/MoS2/BaTiO3 composite piezoelectric nanogenerator
Authors: Xu Menghan , Wu Tao , Song Yiheng , Jiang Ming , Shi Zhuqun , Xiong Chuanxi , Yang Quanling
Published: October 2021

The flexible high-performance TOCN/MoS2/BaTiO3 composite film-based PENG is promising in energy harvesting as a novel power source and wearable self-powered sensing.
Diketopyrrolopyrrole-based conjugated polymers synthesized by direct arylation polycondensation for anisole-processed high mobility organic thin-film transistors
Authors: Sui Ying , Wang Zhongli , Bai Junhua , Shi Yibo , Zhang Xuwen , Deng Yunfeng , Han Yang , Geng Yanhou
Published: October 2021

DPP-based conjugated polymers were synthesized via environmentally benign direct arylation polycondensation. With these polymers, OTFTs with μe values of up to 2.79 cm2 V−1 s−1 were fabricated using a green solvent anisole.
A multi‐focus image fusion method based on multi‐source joint layering and convolutional sparse representation
Authors: Hu Yanxiang , Chen Zhijie , Zhang Bo , Ma Lifeng , Li Jiaqi
Published: October 2021

In this paper, a new Multi‐Focus Image Fusion (MFIF) method based on multi‐source joint layering and Convolutional Sparse Representation (CSR) is proposed. Based on the characteristics of multi‐focus source images, a multi‐source joint layering regularization model was designed to divide the sources into a common base‐layer and respective focus detail‐layers. This strategy can overcome the defects caused by source layering separately effectively. In detail‐layer fusion, CSR was employed to extract and global features. It can avoid detail blur and high computational cost caused by image blocking in the conventional sparse representation model. The proposed detail‐layer fusion rule combined the CSR coefficient maps pairwise with the window based select‐max rule. In the experiments, the optimal layering parameter was selected by experiments at first, and then five recently proposed specific MFIF or general image fusion algorithms were contrasted with the proposed method by plenty of subjective and objective experimental comparisons. The experimental results demonstrated the superiority of the authors’ method.
A marginalised particle filter with variational inference for non‐linear state‐space models with Gaussian mixture noise
Authors: Cheng Cheng , Tourneret Jean‐Yves , Lu Xiaodong
Published: October 2021

This work proposes a marginalised particle filter with variational inference for non‐linear state‐space models (SSMs) with Gaussian mixture noise. A latent variable indicating the component of the Gaussian mixture considered at each time instant is introduced to specify the measurement mode of the SSM. The resulting joint posterior distribution of the state vector, the mode variable and the parameters of the Gaussian mixture noise is marginalised with respect to the noise variables. The marginalised posterior distribution of the state and mode is then approximated by using an appropriate marginalised particle filter. The noise parameters conditionally on each particle system of the state and mode variable are finally updated by using variational Bayesian inference. A simulation study is conducted to compare the proposed method with state‐of‐the‐art approaches in the context of positioning in urban canyons using global navigation satellite systems.
Construction and characterization of rectal cancer‐related lncRNA‐mRNA ceRNA network reveals prognostic biomarkers in rectal cancer
Authors: Cai Guoying , Sun Meifei , Li Xinrong , Zhu Junquan
Published: October 2021

Rectal cancer is an important cause of cancer‐related deaths worldwide. In this study, the differentially expressed (DE) lncRNAs/mRNAs were first identified and the correlation level between DE lncRNAs and mRNAs were calculated. The results showed that genes of highly correlated lncRNA‐mRNA pairs presented strong prognosis effects, such as GPM6A, METTL24, SCN7A, HAND2‐AS1 and PDZRN4. Then, the rectal cancer‐related lncRNA‐mRNA network was constructed based on the ceRNA theory. Topological analysis of the network revealed that the network was maintained by hub nodes and a hub subnetwork was constructed, including the hub lncRNA MIR143HG and MBNL1‐SA1. Further analysis indicated that the hub subnetwork was highly related to cancer pathways, such as ‘Focal adhesion’ and ‘Wnt signalling pathway’. Hub subnetwork also had significant prognosis capability. A closed lncRNA‐mRNA module was identified by bilateral network clustering. Genes in modules also showed high prognosis effects. Finally, a core lncRNA‐TF crosstalk network was identified to uncover the crosstalk and regulatory mechanisms of lncRNAs and TFs by integrating ceRNA crosstalks and TF binding affinities. Some core genes, such as MEIS1, GLI3 and HAND2‐AS1 were considered as the key regulators in tumourigenesis. Based on the authors’ comprehensive analysis, all these lncRNA‐mRNA crosstalks provided promising clues for biological prognosis of rectal cancer.
How many Mel‐frequency cepstral coefficients to be utilized in speech recognition? A study with the Bengali language
Authors: Hasan Md. Rakibul , Hasan Md. Mahbub , Hossain Md Zakir
Published: October 2021

Speech‐related research has a wide range of applications. Most speech‐related researches employ Mel‐frequency cepstral coefficients (MFCCs) as acoustic features. However, finding the optimum number of MFCCs is an active research question. MFCC‐based speech classification was performed for both vowels and words in the Bengali language. As for the classification model, deep neural network (DNN) with Adam optimizer was used. The performances were measured with five different performance metrics, namely confusion matrix, classification accuracy, area under curve of receiver operating characteristic (AUC‐ROC), F score, and Cohen's Kappa with four‐fold cross‐validations at different number of MFCCs. All performance metrics gave the best score for 24/25 MFCCs; hence it is suggested that the optimum number of MFCCs should be 25, although many existing studies use only 13 MFCCs. Furthermore, it is verified that increasing the number of MFCCs yields better classification metrics with lower computational burden than the increment of hidden layers. Lastly, the optimum number of MFCCs obtained from this study was used in a more improved DNN model, from which 99% and 90% accuracies were achieved for vowel and word classification, respectively, and the vowel classification score outperformed state‐of‐the‐art results.
Study on a straightening process by reciprocating bending for metal profiles
Authors: Meng Qingdang , Yu Gaochao , Huang Xueying , Sun Honglei , Zhao Jun
Published: October 2021

The straightness is a critical quality parameter of metal profiles, and straightening is a necessary process in metal profile production. Due to the limitations of the existing straightening methods, the straightening process by reciprocating bending for metal profiles is proposed. The curvature is unified by multiple reciprocating bending, and then the straightening is completed by reverse bending. The process has the advantages of high straightening efficiency, flexibility, and wide straightening range. In order to verify the feasibility of the process, numerical simulation and physical experiment are carried out with the rectangular section profile with “C” shape and “S” shape. The results show the profiles of different shapes are unified into arcs of the same size after multiple reciprocating bending. In addition, the smaller the elastic area ratio (ratio of elastic deformation to overall deformation) is, the better the effect of unification curvature is. The residual deflection is basically the same after straightening, and straightness is within 0.1%.
Effects of inert shell on the upconversion intensity and color of Na(Er/Yb)F4 nanocrystals
Authors: Zhou Ziwen , Ning Danyang , Zhu Yin , Xu Li , Yang Yanting , Zhao Enming , Liu Lu , Liu Shuangqiang
Published: October 2021

Inert passivation can significantly enhance the upconversion intensity of lanthanide ion doped nanocrystals, especially in the heavily doped cases. In this paper, we revealed that, besides the well-known enhancement of intensity, the inert shell can also influence the upconversion color of Er3+/Yb3+ heavily doped nanocrystals in two opposite directions. The mechanisms of the effects of inert shell passivation are discussed based on the spectroscopic observations. The quantum yields of upconversion nanocrystals were estimated for the core-only and core–shell nanocrystals. This work provides guidelines for designing upconversion nanomaterials with bright emission and desired color and thus can further help them to be applied in multichannel imaging, display devices, and phototherapy.
Taking internally wetted capillary electrospray emitters to the sub-ten-micrometer scale with 3D microlithography
Authors: Kunze Fynn L. , Henning Torsten , Klar Peter J.
Published: October 2021

Electrospray emitters are an obvious choice for miniaturized thrusters for a variety of applications on small satellites (e. g., CubeSats), as well as for other micropropulsion purposes. They are inherently small and require a relatively low electric power for operation, and therefore, they fulfill the requirements imposed due to the small volume of CubeSats. Electrospray emitters of the internally wetted capillary type were fabricated by 3D microlithography in the SU-8 photopolymer down to capillary diameters of about 10 μm. Thus, the emitters are an order of magnitude smaller in lateral dimensions than those fabricated by advanced 3D printing methods and still half an order of magnitude smaller than those made by planar photolithography in SU-8. Fabrication methods and process parameters are presented. Furthermore, the preliminary results of the electric characterization of the emission behavior are shown. The experiments show promising results regarding the fabrication quality and extraction behavior.
Ternary VS2/ZnS/CdS hybrids as efficient electrocatalyst for hydrogen evolution reaction: Experimental and theoretical insights
Authors: Shinde Pratik V. , Gavali Deepak S. , Thapa Ranjit , Singh Manoj Kumar , Rout Chandra Sekhar
Published: October 2021

Widely used precious metal (i.e., Pt, or Pd) electrocatalysts need to be replaced with other cost-effective and earth-abundant materials for economical water splitting applications. Recently, two-dimensional (2D) transition metal dichalcogenides (MoS2, VS2, WS2, etc.) have emerged as ideal electrocatalysts for the hydrogen evolution reaction (HER) due to their tunable physicochemical properties and rich catalytic active sites. In this regard, we propose a strategy to achieve improved HER performance of VS2 by fabricating a hybrid material with transition metal (Zn and Cd)-based sulfides. A facile hydrothermal approach is employed to prepare a VS2/ZnS/CdS hybrid catalyst that exhibits remarkable electrocatalytic performance for the HER in acidic media with a small overpotential of 86 mV at 10 mA/cm2 and a Tafel slope of 74.4 mV/dec. This inferred the Volmer–Heyrovsky mechanism with electrochemical desorption of hydrogen as the rate-limiting step. High performance is attributed to the abundance of catalytically active sites and the synergistic interactions between the materials. Theoretical calculations reveal that the VS2/ZnS/CdS hybrid shows favorable HER activity owing to its low hydrogen adsorption free energy of about 0.35 eV. We believe that this work on designing 2D VS2/ZnS/CdS will offer a new pathway to discover an efficient H2 generation electrocatalyst.
Development, implementation and evaluation of a hub and spoke multi-institutional national model to tertiary education in sheep and wool science
Authors: Doyle E. K. , Walkden-Brown S. W. , Sommerville P. J.
Published: October 2021

Context The sheep and wool industry is an important and established primary production entity for Australia. Specialised tertiary education in the field of sheep and wool is pivotal to the advancement of the industry. Sheep and wool education has evolved over time synchronously with changes in the presentation of tertiary teaching. The face-to-face teaching and 4-year specialised degree in animal and wool science has now developed into an online learning system, with individual units made available to students across the country. This is delivered using a hub institute, University of New England and spoke universities across Australia. Aims The study evaluated the development and delivery of the hub and spoke method of tertiary education in sheep and wool science. Methods The data for this study comprised routine information gathered during university enrolment and specific student survey data from two questionnaires. The first questionnaire was an annual (2010–2017) survey of enrolled students (n = 289) and the second questionnaire was a survey of graduates from 2012 to 2015 (n = 128) from sheep and wool science. Key results Student numbers studying sheep and wool science in the hub and spoke program have increased three and a half fold in 10 years. The employment success of students studying the sheep and wool units is over 50%. Conclusions Utilising a hub and spoke model for online education delivery allows one university to specialise in a specific curriculum that can be offered across multi-institutions. Implications The tertiary training package, developed by the sheep and wool industry, has provided an estimated 400 graduates into the industry in 10 years.
A cure for woundless pain
Authors: She Yasheng
Published: October 2021

As a cultural construct, the idol is a consumer product created to “heal” in the age of exhaustion. Layering a “guardian” aspect onto Laura Mulvey’s “male gaze,” this paper contextualizes the commodification and consumption of innocence. This paper brings the documentary,Tokyo Idols(2017), and the animated film,Perfect Blue(1997), into a conversation to theorize how femininity is constructed and commodified in Japan’s pop idol industry. The idol culture consumes innocence only to create more trauma for women by stressing the arbitrary importance of innocence and sacrificing female agency in the process.