bluuebunny/crossref_metadata_2025 huggingface dataset:
Implementation of a 46-node quantum metropolitan area network
Authors: Chen Teng-Yun , Jiang Xiao , Tang Shi-Biao , Zhou Lei , Yuan Xiao , Zhou Hongyi , Wang Jian , Liu Yang , Chen Luo-Kan , Liu Wei-Yue , Zhang Hong-Fei , Cui Ke , Liang Hao , Li Xiao-Gang , Mao Yingqiu , Wang Liu-Jun , Feng Si-Bo , Chen Qing , Zhang Qiang , Li Li , Liu Nai-Le , Peng Cheng-Zhi , Ma Xiongfeng , Zhao Yong , Pan Jian-Wei
Published: September 2021

Quantum key distribution (QKD) enables secure key exchanges between two remote users. The ultimate goal of secure communication is to establish a global quantum network. The existing field tests suggest that quantum networks are feasible. To achieve a practical quantum network, we need to overcome several challenges including realizing versatile topologies for large scales, simple network maintenance, extendable configuration and robustness to node failures. To this end, we present a field operation of a quantum metropolitan-area network with 46 nodes and show that all these challenges can be overcome with cutting-edge quantum technologies. In particular, we realize different topological structures and continuously run the network for 31 months, by employing standard equipment for network maintenance with an extendable configuration. We realize QKD pairing and key management with a sophisticated key control centre. In this implementation, the final keys have been used for secure communication such as real-time voice telephone, text messaging and file transmission with one-time pad encryption, which can support 11 pairs of users to make audio calls simultaneously. Combined with intercity quantum backbone and ground–satellite links, our metropolitan implementation paves the way toward a global quantum network.
Nitroalkene fatty acids modulate bile acid metabolism and lung function in obese asthma
Authors: Manni Michelle L. , Heinrich Victoria A. , Buchan Gregory J. , O’Brien James P. , Uvalle Crystal , Cechova Veronika , Koudelka Adolf , Ukani Dharti , Rawas-Qalaji Mohamad , Oury Tim D. , Hart Renee , Ellgass Madeline , Mullett Steven J. , Fajt Merritt L. , Wenzel Sally E. , Holguin Fernando , Freeman Bruce A. , Wendell Stacy G.
Published: September 2021

Bile acid profiles are altered in obese individuals with asthma. Thus, we sought to better understand how obesity-related systemic changes contribute to lung pathophysiology. We also test the therapeutic potential of nitro-oleic acid (NO2-OA), a regulator of metabolic and inflammatory signaling pathways, to mitigate allergen and obesity-induced lung function decline in a murine model of asthma. Bile acids were measured in the plasma of healthy subjects and individuals with asthma and serum and lung tissue of mice with and without allergic airway disease (AAD). Lung function, indices of inflammation and hepatic bile acid enzyme expression were measured in obese mice with house dust mite-induced AAD treated with vehicle or NO2-OA. Serum levels of glycocholic acid and glycoursodeoxycholic acid clinically correlate with body mass index and airway hyperreactivity whereas murine levels of β-muricholic acid and tauro-β-muricholic acid were significantly increased and positively correlated with impaired lung function in obese mice with AAD. NO2-OA reduced murine bile acid levels by modulating hepatic expression of bile acid synthesis enzymes, with a concomitant reduction in small airway resistance and tissue elastance. Bile acids correlate to body mass index and lung function decline and the signaling actions of nitroalkenes can limit AAD by modulating bile acid metabolism, revealing a potential pharmacologic approach to improving the current standard of care.
Dissection of the genetic basis of genotype-by-environment interactions for grain yield and main agronomic traits in Iranian bread wheat landraces and cultivars
Authors: Alipour Hadi , Abdi Hossein , Rahimi Yousef , Bihamta Mohammad Reza
Published: September 2021

Understanding the genetic basis of performance stability is essential to maintain productivity, especially under severe conditions. In the present study, 268 Iranian bread wheat landraces and cultivars were evaluated in four well-watered and two rain-fed conditions for different traits. According to breeding programs, cultivars were in a group with a high mean and stability in terms of GY, GN, and SW traits, while in terms of PH, they had a low mean and high stability. The stability of cultivars and landraces was related to dynamic and static stability, respectively. The highest number of marker pairs and lowest LD decay distance in both cultivars and landraces was observed on the B genome. Population structure differentiated indigenous cultivars and landraces, and the GWAS results for each were almost different despite the commonalities. Chromosomes 1B, 3B, 7B, 2A, and 4A had markers with pleiotropic effects on the stability of different traits. Due to two rain-fed environments, the Gene Ontology (GO) confirmed the accuracy of the results. The identified markers in this study can be helpful in breeding high-performance and stable genotypes and future breeding programs such as fine mapping and cloning.
The relationship between health IT characteristics and organizational variables among German healthcare workers
Authors: Gaube Susanne , Cecil Julia , Wagner Simon , Schicho Andreas
Published: September 2021

Health information technologies (HITs) are widely employed in healthcare and are supposed to improve quality of care and patient safety. However, so far, their implementation has shown mixed results, which might be explainable by understudied psychological factors of human–HIT interaction. Therefore, the present study investigates the association between the perception of HIT characteristics and psychological and organizational variables among 445 healthcare workers via a cross-sectional online survey in Germany. The proposed hypotheses were tested using structural equation modeling. The results showed that good HIT usability was associated with lower levels of techno-overload and lower IT-related strain. In turn, experiencing techno-overload and IT-related strain was associated with lower job satisfaction. An effective error management culture at the workplace was linked to higher job satisfaction and a slightly lower frequency of self-reported medical errors. About 69% of surveyed healthcare workers reported making errors less frequently than their colleagues, suggesting a bias in either the perception or reporting of errors. In conclusion, the study’s findings indicate that ensuring high perceived usability when implementing HITs is crucial to avoiding frustration among healthcare workers and keeping them satisfied. Additionally healthcare facilities should invest in error management programs since error management culture is linked to other important organizational variables.
Implementation of an efficient SARS-CoV-2 specimen pooling strategy for high throughput diagnostic testing
Authors: Singh Lavanya , Anyaneji Ugochukwu J. , Ndifon Wilfred , Turok Neil , Mattison Stacey A. , Lessells Richard , Sinayskiy Ilya , San Emmanuel J. , Tegally Houriiyah , Barnett Shaun , Lorimer Trevor , Petruccione Francesco , de Oliveira Tulio
Published: September 2021

The rapid identification and isolation of infected individuals remains a key strategy for controlling the spread of SARS-CoV-2. Frequent testing of populations to detect infection early in asymptomatic or presymptomatic individuals can be a powerful tool for intercepting transmission, especially when the viral prevalence is low. However, RT-PCR testing—the gold standard of SARS-CoV-2 diagnosis—is expensive, making regular testing of every individual unfeasible. Sample pooling is one approach to lowering costs. By combining samples and testing them in groups the number of tests required is reduced, substantially lowering costs. Here we report on the implementation of pooling strategies using 3-d and 4-d hypercubes to test a professional sports team in South Africa. We have shown that infected samples can be reliably detected in groups of 27 and 81, with minimal loss of assay sensitivity for samples with individual Ct values of up to 32. We report on the automation of sample pooling, using a liquid-handling robot and an automated web interface to identify positive samples. We conclude that hypercube pooling allows for the reliable RT-PCR detection of SARS-CoV-2 infection, at significantly lower costs than lateral flow antigen (LFA) tests.
RNA-seq profiling reveals PBMC RNA as a potential biomarker for hepatocellular carcinoma
Authors: Han Zhiyi , Feng Wenxing , Hu Rui , Ge Qinyu , Ma Wenfeng , Zhang Wei , Xu Shaomin , Zhan Bolin , Zhang Lai , Sun Xinfeng , Zhou Xiaozhou
Published: September 2021

Hepatocellular carcinoma (HCC) is one of the most common malignant tumors and has extremely high morbidity and mortality. Although many existing studies have focused on the identification of biomarkers, little information has been uncovered regarding the PBMC RNA profile of HCC. We attempted to create a profile throughout using expression of peripheral blood mononuclear cell (PBMC) RNA using RNA-seq technology and compared the transcriptome between HCC patients and healthy controls. Seventeen patients and 17 matched healthy controls were included in this study, and PBMC RNA was sequenced from all samples. Sequencing data were analyzed using bioinformatics tools, and quantitative reverse transcription PCR (qRT-PCR) was used for selected validation of DEGs. A total of 1,578 dysregulated genes were found in the PBMC samples, including 1,334 upregulated genes and 244 downregulated genes. GO enrichment and KEGG studies revealed that HCC is closely linked to differentially expressed genes (DEGs) implicated in the immune response. Expression of 6 selected genes (SELENBP1, SLC4A1, SLC26A8, HSPA8P4, CALM1, and RPL7p24) was confirmed by qRT-PCR, and higher sensitivity and specificity were obtained by ROC analysis of the 6 genes. CALM1 was found to gradually decrease as tumors enlarged. Nearly the opposite expression modes were obtained when compared to tumor sequencing data. Immune cell populations exhibited significant differences between HCC and controls. These findings suggest a potential biomarker for the diagnosis of HCC. This study provides new perspectives for liver cancer development and possible future successful clinical diagnosis.
Porphyromonas spp., Fusobacterium spp., and Bacteroides spp. dominate microbiota in the course of macropod progressive periodontal disease
Authors: Yip Sabine , Dehcheshmeh Manijeh Mohammadi , McLelland David J. , Boardman Wayne S. J. , Saputra Sugiyono , Ebrahimie Esmaeil , Weyrich Laura S. , Bird Philip S. , Trott Darren J.
Published: September 2021

Macropod progressive periodontal disease (MPPD) is a necrotizing, polymicrobial, inflammatory disease commonly diagnosed in captive macropods. MPPD is characterized by gingivitis associated with dental plaque formation, which progresses to periodontitis and then to osteomyelitis of the mandible or maxilla. However, the underlying microbial causes of this disease remain poorly understood. In this study, we collected 27 oral plaque samples and associated clinical records from 22 captive Macropodidae and Potoroidae individuals that were undergoing clinical examination at Adelaide and Monarto Zoos in South Australia (15 healthy, 7 gingivitis and 5 periodontitis-osteomyelitis samples). The V3-V4 region of the 16S ribosomal RNA gene was sequenced using an Illumina Miseq to explore links between MPPD and oral bacteria in these animals. Compositional differences were detected between the microbiota of periodontitis-osteomyelitis cases compared to healthy samples (p-value with Bonferroni correction < 0.01), as well as gingivitis cases compared to healthy samples (p-value with Bonferroni correction < 0.05) using Permutational Multivariate Analysis of Variance (PERMANOVA). An overabundance of Porphyromonas, Fusobacterium, and Bacteroides taxa was also identified in animals with MPPD compared to healthy individuals using linear discriminant analysis effect size (LEfSe; p =  < 0.05). An increased abundance of Desulfomicrobium also was detected in MPPD samples (LEfSe; p < 0.05), which could potentially reflect differences in disease progression. This is the first microbiota analysis of MPPD in captive macropods, and these results support a polymicrobial pathogenesis of MPPD, suggesting that the microbial interactions underpinning MPPD may be more complex than previously documented.
Reciprocal regulation of endothelial–mesenchymal transition by MAPK7 and EZH2 in intimal hyperplasia and coronary artery disease
Authors: Vanchin Byambasuren , Sol Marloes , Gjaltema Rutger A. F. , Brinker Marja , Kiers Bianca , Pereira Alexandre C. , Harmsen Martin C. , Moonen Jan-Renier A. J. , Krenning Guido
Published: September 2021

Endothelial–mesenchymal transition (EndMT) is a form of endothelial dysfunction wherein endothelial cells acquire a mesenchymal phenotype and lose endothelial functions, which contributes to the pathogenesis of intimal hyperplasia and atherosclerosis. The mitogen activated protein kinase 7 (MAPK7) inhibits EndMT and decreases the expression of the histone methyltransferase Enhancer-of-Zeste homologue 2 (EZH2), thereby maintaining endothelial quiescence. EZH2 is the catalytic subunit of the Polycomb Repressive Complex 2 that methylates lysine 27 on histone 3 (H3K27me3). It is elusive how the crosstalk between MAPK7 and EZH2 is regulated in the endothelium and if the balance between MAPK7 and EZH2 is disturbed in vascular disease. In human coronary artery disease, we assessed the expression levels of MAPK7 and EZH2 and found that with increasing intima/media thickness ratio, MAPK7 expression decreased, whereas EZH2 expression increased. In vitro, MAPK7 activation decreased EZH2 expression, whereas endothelial cells deficient of EZH2 had increased MAPK7 activity. MAPK7 activation results in increased expression of microRNA (miR)-101, a repressor of EZH2. This loss of EZH2 in turn results in the increased expression of the miR-200 family, culminating in decreased expression of the dual-specificity phosphatases 1 and 6 who may repress MAPK7 activity. Transfection of endothelial cells with miR-200 family members decreased the endothelial sensitivity to TGFβ1-induced EndMT. In endothelial cells there is reciprocity between MAPK7 signaling and EZH2 expression and disturbances in this reciprocal signaling associate with the induction of EndMT and severity of human coronary artery disease.
Genotypes of informative loci from 1000 Genomes data allude evolution and mixing of human populations
Authors: Padakanti Sridevi , Tiong Khong-Loon , Chen Yan-Bin , Yeang Chen-Hsiang
Published: September 2021

Principal Component Analysis (PCA) projects high-dimensional genotype data into a few components that discern populations. Ancestry Informative Markers (AIMs) are a small subset of SNPs capable of distinguishing populations. We integrate these two approaches by proposing an algorithm to identify necessary informative loci whose removal from the data deteriorates the PCA structure. Unlike classical AIMs, necessary informative loci densely cover the genome, hence can illuminate the evolution and mixing history of populations. We conduct a comprehensive analysis to the genotype data of the 1000 Genomes Project using necessary informative loci. Projections along the top seven principal components demarcate populations at distinct geographic levels. Millions of necessary informative loci along each PC are identified. Population identities along each PC are approximately determined by weighted sums of minor (or major) alleles over the informative loci. Variations of allele frequencies are aligned with the history and direction of population evolution. The population distribution of projections along the top three PCs is recapitulated by a simple demographic model based on several waves of founder population separation and mixing. Informative loci possess locational concentration in the genome and functional enrichment. Genes at two hot spots encompassing dense PC 7 informative loci exhibit differential expressions among European populations. The mosaic of local ancestry in the genome of a mixed descendant from multiple populations can be inferred from partial PCA projections of informative loci. Finally, informative loci derived from the 1000 Genomes data well predict the projections of an independent genotype data of South Asians. These results demonstrate the utility and relevance of informative loci to investigate human evolution.
Nanopore sequencing and de novo assembly of a misidentified Camelpox vaccine reveals putative epigenetic modifications and alternate protein signal peptides
Authors: Saud Zack , Hitchings Matthew D. , Butt Tariq M.
Published: September 2021

DNA viruses can exploit host cellular epigenetic processes to their advantage; however, the epigenome status of most DNA viruses remains undetermined. Third generation sequencing technologies allow for the identification of modified nucleotides from sequencing experiments without specialized sample preparation, permitting the detection of non-canonical epigenetic modifications that may distinguish viral nucleic acid from that of their host, thus identifying attractive targets for advanced therapeutics and diagnostics. We present a novel nanopore de novo assembly pipeline used to assemble a misidentified Camelpox vaccine. Two confirmed deletions of this vaccine strain in comparison to the closely related Vaccinia virus strain modified vaccinia Ankara make it one of the smallest non-vector derived orthopoxvirus genomes to be reported. Annotation of the assembly revealed a previously unreported signal peptide at the start of protein A38 and several predicted signal peptides that were found to differ from those previously described. Putative epigenetic modifications around various motifs have been identified and the assembly confirmed previous work showing the vaccine genome to most closely resemble that of Vaccinia virus strain Modified Vaccinia Ankara. The pipeline may be used for other DNA viruses, increasing the understanding of DNA virus evolution, virulence, host preference, and epigenomics.
Studying the distribution patterns, dynamics and influencing factors of city functional components by gradient analysis
Authors: Liu Shun , Yang Guofu , Wu Zhaoping , Mao Feng , Qu Zelong , Ge Ying , Chang Jie
Published: September 2021

Understanding the spatial distribution characteristics and formation mechanism of urban facilities (city functional components) constitutes the basis of urban layout optimization. Currently, research on the overall distribution of the various types of city functional components is lacking. In this study, by applying the gradient analysis method common in ecology, we considered 13 types of city functional components (80,214 individuals in total) in large, medium and small Chinese cities (9 cities in total) to carry out quantitative analysis of the distribution of components along urban–rural gradients through density distribution curves. The results indicated that: (1) a higher density of city functional components near the city centre revealed an obvious aggregated distribution; (2) the spatial distribution dynamics of city functional components were related to the city size, providing a reference for the rational distribution of components in cities of different sizes; (3) the distribution of city functional components was affected by their ecosystem services. This study offers a new perspective for the application of ecological methods in the examination of the distribution of city functional components.
Treatment of moderate to severe respiratory COVID-19: a cost-utility analysis
Authors: Congly Stephen E. , Varughese Rhea A. , Brown Crystal E. , Clement Fiona M. , Saxinger Lynora
Published: September 2021

Despite COVID-19’s significant morbidity and mortality, considering cost-effectiveness of pharmacologic treatment strategies for hospitalized patients remains critical to support healthcare resource decisions within budgetary constraints. As such, we calculated the cost-effectiveness of using remdesivir and dexamethasone for moderate to severe COVID-19 respiratory infections using the United States health care system as a representative model. A decision analytic model modelled a base case scenario of a 60-year-old patient admitted to hospital with COVID-19. Patients requiring oxygen were considered moderate severity, and patients with severe COVID-19 required intubation with intensive care. Strategies modelled included giving remdesivir to all patients, remdesivir in only moderate and only severe infections, dexamethasone to all patients, dexamethasone in severe infections, remdesivir in moderate/dexamethasone in severe infections, and best supportive care. Data for the model came from the published literature. The time horizon was 1 year; no discounting was performed due to the short duration. The perspective was of the payer in the United States health care system. Supportive care for moderate/severe COVID-19 cost $11,112.98 with 0.7155 quality adjusted life-year (QALY) obtained. Using dexamethasone for all patients was the most-cost effective with an incremental cost-effectiveness ratio of $980.84/QALY; all remdesivir strategies were more costly and less effective. Probabilistic sensitivity analyses showed dexamethasone for all patients was most cost-effective in 98.3% of scenarios. Dexamethasone for moderate-severe COVID-19 infections was the most cost-effective strategy and would have minimal budget impact. Based on current data, remdesivir is unlikely to be a cost-effective treatment for COVID-19.
A potential role for the adrenal gland in autism
Authors: Al-Zaid Felwah S. , Alhader Abdel Fattah A. , Al-Ayadhi Laila Y.
Published: September 2021

Androgens have been implicated in autism pathophysiology as recently, prenatal exposure to elevated androgens has been proposed as risk factor. However, published data on postnatal sex hormone levels in autistic children are controversial and the source of prenatal androgen exposure in autism remains unknown. Therefore, this study investigated postnatal sex hormone levels and dehydroepiandrosterone (DHEA) to shed light on a potential role for the adrenal gland in autism pathophysiology. A case-control study investigating estradiol (E2), DHEA, follicle-stimulating hormone (FSH) and luteinizing hormone (LH) levels was conducted with 31 Saudi males with autism and 28 healthy, age-matched boys plasma. Moreover, correlation analysis with measured hormones and previously measured total testosterone (TT) and free testosterone (FT) in the same group of autism was conducted. DHEA was significantly higher (p < 0.05) in the autism group compared to controls. DHEA positively correlated with previously measured TT (r = + 0.79, p < 0.001) and FT (r = + 0.72, p < 0.001) levels in the same autism group. FSH levels were also significantly higher in the autism group than in the control group (p < 0.01). To the best of our knowledge, this is the first study to report a strong positive correlation between TT, FT and DHEA, suggesting an adrenal source for elevated androgen levels.
Dynamics of SARS-CoV-2 mutations reveals regional-specificity and similar trends of N501 and high-frequency mutation N501Y in different levels of control measures
Authors: Justo Arevalo Santiago , Zapata Sifuentes Daniela , J. Huallpa César , Landa Bianchi Gianfranco , Castillo Chávez Adriana , Garavito-Salini Casas Romina , Uribe Calampa Carmen Sofia , Uceda-Campos Guillermo , Pineda Chavarría Roberto
Published: September 2021

Coronavirus disease 2019 (COVID-19) is a contagious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This disease has spread globally, causing more than 161.5 million cases and 3.3 million deaths to date. Surveillance and monitoring of new mutations in the virus’ genome are crucial to our understanding of the adaptation of SARS-CoV-2. Moreover, how the temporal dynamics of these mutations is influenced by control measures and non-pharmaceutical interventions (NPIs) is poorly understood. Using 1,058,020 SARS-CoV-2 from sequenced COVID-19 cases from 98 countries (totaling 714 country-month combinations), we perform a normalization by COVID-19 cases to calculate the relative frequency of SARS-CoV-2 mutations and explore their dynamics over time. We found 115 mutations estimated to be present in more than 3% of global COVID-19 cases and determined three types of mutation dynamics: high-frequency, medium-frequency, and low-frequency. Classification of mutations based on temporal dynamics enable us to examine viral adaptation and evaluate the effects of implemented control measures in virus evolution during the pandemic. We showed that medium-frequency mutations are characterized by high prevalence in specific regions and/or in constant competition with other mutations in several regions. Finally, taking N501Y mutation as representative of high-frequency mutations, we showed that level of control measure stringency negatively correlates with the effective reproduction number of SARS-CoV-2 with high-frequency or not-high-frequency and both follows similar trends in different levels of stringency.
A simple method to describe the COVID-19 trajectory and dynamics in any country based on Johnson cumulative density function fitting
Authors: Ćmiel Adam M. , Ćmiel Bogdan
Published: September 2021

A simple method is utilised to study and compare COVID-19 infection dynamics between countries based on curve fitting to publicly shared data of confirmed COVID-19 infections. The method was tested using data from 80 countries from 6 continents. We found that Johnson cumulative density functions (CDFs) were extremely well fitted to the data (R2 > 0.99) and that Johnson CDFs were much better fitted to the tails of the data than either the commonly used normal or lognormal CDFs. Fitted Johnson CDFs can be used to obtain basic parameters of the infection wave, such as the percentage of the population infected during an infection wave, the days of the start, peak and end of the infection wave, and the duration of the wave’s increase and decrease. These parameters can be easily interpreted biologically and used both for describing infection wave dynamics and in further statistical analysis. The usefulness of the parameters obtained was analysed with respect to the relation between the gross domestic product (GDP) per capita, the population density, the percentage of the population infected during an infection wave, the starting day and the duration of the infection wave in the 80 countries. We found that all the above parameters were significantly associated with GDP per capita, but only the percentage of the population infected was significantly associated with population density. If used with caution, this method has a limited ability to predict the future trajectory and parameters of an ongoing infection wave.
Melanoma cells adopt features of both mesenchymal and amoeboid migration within confining channels
Authors: Gabbireddy Sairisheel R. , Vosatka Karl W. , Chung Aram J , Logue Jeremy S.
Published: September 2021

For metastasis to occur, cancer cells must traverse a range of tissue environments. In part, this is accomplished by cells adjusting their migration mode to one that is best suited to the environment. Melanoma cells have been shown to be particularly plastic, frequently using both mesenchymal and amoeboid (bleb-based) modes of migration. It has been demonstrated that 2D confinement will promote the transition from mesenchymal to bleb-based migration. However, if melanoma cells similarly transition to bleb-based migration in response to 3D confinement, such as within narrow channels, is unknown. Here, using micro-fabricated channels, we demonstrate that metastatic, A375-M2, melanoma cells adopt features of both mesenchymal and bleb-based migration. In narrow (8 µm; height and width) channels coated with fibronectin, ~ 50% of melanoma cells were found to use either mesenchymal or bleb-based migration modes. In contrast, the inhibition of Src family kinases or coating channels with BSA, completely eliminated any features of mesenchymal migration. Detailed comparisons of migration parameters revealed that blebbing cells, particularly in the absence of adhesions, were faster than mesenchymal cells. In contrast to what has been previously shown under conditions of 2D confinement, pharmacologically inhibiting Arp2/3 promoted a fast filopodial-based mode of migration. Accordingly, we report that melanoma cells adopt a unique range of phenotypes under conditions of 3D confinement.
Gravity-induced phase phenomena in plate-rod colloidal mixtures
Authors: Eckert Tobias , Schmidt Matthias , de las Heras Daniel
Published: September 2021

Gravity can affect colloidal suspensions since for micrometer-sized particles gravitational and thermal energies can be comparable over vertical length scales of a few millimeters. In mixtures, each species possesses a different buoyant mass, which can make experimental results counter-intuitive and difficult to interpret. Here, we revisit from a theoretical perspective iconic sedimentation-diffusion-equilibrium experiments on colloidal plate-rod mixtures by van der Kooij and Lekkerkerker. We reproduce their findings, including the observation of five different mesophases in a single cuvette. Using sedimentation path theory, we incorporate gravity into a microscopic theory for the bulk of a plate-rod mixture. We also show how to disentangle the effects of gravity from sedimentation experiments to obtain the bulk behavior and make predictions that can be experimentally tested. These include changes in the sequence by altering the sample height. We demonstrate that both buoyant mass ratio and sample height form control parameters to study bulk phase behavior.
Sustainability of emerging energy and transportation technologies is impacted by the coexistence of minerals in nature
Authors: Elshkaki Ayman
Published: September 2021

Wind power and electric vehicles can help reduce carbon dioxide emissions and improve air quality. However, these technologies rely on rare metals whose extraction requires large amounts of energy and water and are high in carbon emissions. Here we consider the sustainability of both technologies and the impacts of rare earth elements co-extraction. We use a global dynamic material flow-stock model and several scenarios for rare earth elements demand and supply. Cumulative carbon dioxide equivalent emissions associated with rare earth metals oversupply was between 5.5 and 6.4 times the emissions associated with dysprosium and neodymium production when dysprosium demand was increased. Carbon dioxide equivalent emissions associated with metals extraction and production were equivalent to between 10% and 29% of carbon dioxide emissions reduction through electric vehicle use. Targeting metal rich deposits and increased material efficiency and recycling reduced carbon dioxide emissions by 78%, 39% and 35%, and combined by 90%. Our findings highlight the role of resource efficiency and recycling in enhancing clean energy technologies.
Machine learning and chemometrics for electrochemical sensors: moving forward to the future of analytical chemistry
Authors: Puthongkham Pumidech , Wirojsaengthong Supacha , Suea-Ngam Akkapol
Published: September 2021

This minireview introduces the principles and recent applications of machine learning and experimental designs in developing and improving electrochemical sensors.
SERS and MALDI-TOF MS based plasma exosome profiling for rapid detection of osteosarcoma
Authors: Han Zhenzhen , Yi Jia , Yang Yi , Li Dandan , Peng Cheng , Long Shuping , Peng Xinyan , Shen Yuhui , Liu Baohong , Qiao Liang
Published: September 2021

Identification of osteosarcoma by combining SERS with MALDI-TOF MS profiling of plasma-derived exosomes.
Understanding the Z-scheme heterojunction of BiVO4/PANI for photoelectrochemical nitrogen reduction
Authors: Bai Yajie , Bai Hongye , Fang Zhenyuan , Li Xia , Fan Weiqiang , Shi Weidong
Published: September 2021

A BiVO4/PANI Z-scheme heterojunction was fabricated to boost photoelectrochemical NH3 production for the first time. The staggered band structure and perfect interface effectively accelerated carrier separation and reaction selectivity.
Recent advances in (chemo)enzymatic cascades for upgrading bio-based resources
Authors: Zhou Yi , Wu Shuke , Bornscheuer Uwe T.
Published: September 2021

Developing (chemo)enzymatic cascades is very attractive for green synthesis, because they streamline multistep synthetic processes.
Recent advances in catalytic asymmetric aza-Cope rearrangement
Authors: Wei Liang , Wang Chun-Jiang
Published: September 2021

This review highlights the recent progress in catalytic asymmetric aza-Cope rearrangement, and covers important features of these studies including catalytic system design, mechanism insight, stereochemistry analysis and synthetic applications.
Hierarchical MnCo2O4 nanowire@NiFe layered double hydroxide nanosheet heterostructures on Ni foam for overall water splitting
Authors: Shi Huafeng , Yang Kun , Wang Fangfang , Ni Yonghong , Zhai Muheng
Published: September 2021

It is of great importance to construct non-precious metal bifunctional electrocatalysts with low cost and high efficiency for overall water splitting.
Tailoring long-range superlattice chirality in molecular self-assemblies via weak fluorine-mediated interactions
Authors: Telychko Mykola , Wang Lulu , Hsu Chia-Hsiu , Li Guangwu , Peng Xinnan , Song Shaotang , Su Jie , Chuang Feng-Chuan , Wu Jishan , Wong Ming Wah , Lu Jiong
Published: September 2021

Long-range chiral recognition patterns in supramolecular assemblies were tailored by engineering the weak non-covalent intermolecular interactions.
Aqueous-phase effects on ethanol decomposition over Ru-based catalysts
Authors: Zare Mehdi , Saleheen Mohammad , Mamun Osman , Heyden Andreas
Published: September 2021

Liquid water decelerates ethanol reforming over Ru(0001) but increases the H2 selectivity due to accelerated WGS and suppressed methanation.
Abiotic reduction of nitrite by Fe(ii): a comparison of rates and N2O production
Authors: Robinson Thomas C. , Latta Drew E. , Notini Luiza , Schilling Keith E. , Scherer Michelle M.
Published: September 2021

Nitrite reduction by Fe(ii) in an agricultural sediment and complete conversion to N2O suggests chemodenitrification is important to N2O emissions.
Effects of anthocyanins on β-lactoglobulin glycoxidation: a study of mechanisms and structure–activity relationship
Authors: Wang Ruifeng , Khalifa Ibrahim , Du Xia , Li Kaikai , Xu Yujuan , Li Chunmei
Published: September 2021

We elucidated the underlying mechanisms of the anti-glycoxidation effects of five structurally different anthocyanins on glycated-β-lactoglobulin (β-Lg).
Biotransformation of nylon-6,6 hydrolysate to bacterial cellulose
Authors: Zhou Jiangang , Chen Yihui , Zhang Yanbo , Sun Su , Ullah Muhammad Wajid , Xu Weilin
Published: September 2021

In this study, the abundant global textile waste old nylon-6,6 was utilized as a substrate for bacterial cellulose (BC) production byTaonella mepensisWT-6.
Single-step preparation of zinco- and aluminosilicate delaminated MWW layers for the catalytic conversion of glucose
Authors: Min Hyung-Ki , Kweon Sungjoon , Oh Sohun , An Hyejin , Cho Yunhye , Min Haehyun , Jo Donghui , Kim Jeong F. , Shin Chae-Ho , Kang Sung Bong , Park Min Bum
Published: September 2021

Simply synthesized Lewis acidic Zn-DML and Lewis–Brønsted acidic ZnAl-DML catalysts selectively produced fructose and 5-hydroxymethylfurfural, respectively, in a glucose conversion.
Fabrication of robust protein-based foams with multifunctionality by manipulating intermolecular interactions
Authors: Shen Xingxing , Guo Qing
Published: September 2021

A useful strategy for the fabrication of mechanically robust protein-based foam with multifunctionality.
Metal–organic framework thin films as versatile chemical sensing materials
Authors: Ellis James E. , Crawford Scott E. , Kim Ki-Joong
Published: September 2021

This review discusses the fabrication, deployment, challenges, and future directions of metal–organic framework thin film sensing platforms, which are of particular interest due to their tunable porosity, chemical functionalities, optical and electrical properties.
Fluorescence and biological stabilization of phosphorus-functionalized mesoporous silica nanospheres modified with a bis(8-hydroxyquinoline) zinc complex
Authors: Saito Norio , Noda Daichi , Shang Yucheng , Yamada Shota , Tagaya Motohiro
Published: September 2021

Phosphorus-modified mesoporous silica nanospheres have strong affinity with Znq2, and their host–guest complex dramatically prevents biodegradation of the host surface.
A novel zinc sulfide impregnated carbon composite derived from zeolitic imidazolate framework-8 for sodium-ion hybrid solid-state flexible capacitors
Authors: Shrivastav Vishal , Sundriyal Shashank , Goel Priyanshu , Saha Avishek , Tiwari Umesh K. , Deep Akash
Published: September 2021

The pyrolysis of metal–organic frameworks (MOFs) is an easy approach to prepare metal oxides as well as nanoporous carbon with high specific surface area.
Sinoporphyrin sodium mediated sonodynamic therapy generates superoxide anions under a hypoxic environment
Authors: Li Enze , Sun Yi , Lv Guixiang , Qin Feng , Sheng Tianqi , Zhang Zhiguo , Zhang Rui , Hu Zheng , Cao Wenwu
Published: September 2021

DVDMS-SDT induces G2/M arrest by superoxide anions.
Cucurbit[6]uril@MIL-101-Cl: loading polar porous cages in mesoporous stable host for enhanced SO2 adsorption at low pressures
Authors: Sun Yangyang , Liang Jun , Brandt Philipp , Spieß Alex , Öztürk Secil , Janiak Christoph
Published: September 2021

CB6@MIL-101-Cl: Stability towards dry SO2, enhanced SO2 uptake over parent MIL-101 at low partial SO2 pressure, durability, high capacity at 1 bar, acceptable stability towards humid SO2.
Oxidative cross-coupling of thiols for S–X (X = S, N, O, P, and C) bond formation: mechanistic aspects
Authors: Jang Hye-Young
Published: September 2021

This review describes the oxidative cross-couplings of thiols forming various organosulfur compounds, focusing on critical intermediates such as sulfenyl halides, thiyl radicals, sulfenium cations, disulfides, and organo-transition metal intermediates.
Palladium-catalyzed coupling reaction of 2-iodobiphenyls with alkenyl bromides for the construction of 9-(diorganomethylidene)fluorenes
Authors: Zhao Ya-Heng , Wang Jian-Long , Zhou Yun-Bing , Liu Miao-Chang , Wu Hua-Yue
Published: September 2021

An atom economical protocol for the construction of 9-(diorganomethylidene)fluorenes through palladium-catalyzed coupling reactions of 2-iodobiphenyls with alkenyl bromides has been reported.
A novel superparamagnetic powerful guanidine-functionalized γ-Fe2O3 based sulfonic acid recyclable and efficient heterogeneous catalyst for microwave-assisted rapid synthesis of quinazolin-4(3H)-one derivatives in Green media
Authors: Norouzi Fateme Haji , Foroughifar Naser , Khajeh-Amiri Alireza , Pasdar Hoda
Published: September 2021

A novel organic–inorganic nanohybrid superparamagnetic nanocatalyst (γ-Fe2O3@CPTMS–guanidine@SO3H) represents an efficient and green catalyst for the one-pot synthesis of quinazolin-4(3H)-one derivatives via a three-component condensation reaction.
An optimization-based model discrimination framework for selecting an appropriate reaction kinetic model structure during early phase pharmaceutical process development
Authors: Sen Maitraye , Arguelles Alonso J. , Stamatis Stephen D. , García-Muñoz Salvador , Kolis Stanley
Published: September 2021

A model discrimination workflow to develop fit for purpose kinetic models of new pharmaceutical compounds in early stages of drug development involving complex reaction networks with limited prior information and provision to run new experiments.
Synthesis of tryptophan-containing 2,5-diketopiperazines via sequential C–H activation: total syntheses of tryprostatin A, maremycins A and B
Authors: Yin Xue-Song , Qi Wei-Yi , Shi Bing-Feng
Published: September 2021

Indole 2,5-diketopiperazines (DKPs) are an important type of metabolic cyclic dipeptides containing a tryptophan (Trp) unit possessing a range of interesting biological activities.
Towards a native environment: structure and function of membrane proteins in lipid bilayers by NMR
Authors: Xue Kai , Movellan Kumar Tekwani , Zhang Xizhou Cecily , Najbauer Eszter E. , Forster Marcel C. , Becker Stefan , Andreas Loren B.
Published: September 2021

Solid-state NMR (ssNMR) is a versatile technique that can be used for the characterization of various materials, ranging from small molecules to biological samples, including membrane proteins, as reviewed here.
Guest-mediated phase transitions in a flexible pillared-layered metal–organic framework under high-pressure
Authors: Turner Gemma F. , McKellar Scott C. , Allan David R. , Cheetham Anthony K. , Henke Sebastian , Moggach Stephen A.
Published: September 2021

The guest-dependent flexibility of the pillared-layered metal–organic framework (MOF), Zn2bdc2dabco·X(guest), where guest = EtOH, DMF or benzene, has been examined by high-pressure single crystal X-ray diffraction.
Nickel-catalyzed enantioselective 1,2-vinylboration of styrenes
Authors: Ye Yang , Liu Jiandong , Xu Bing , Jiang Songwei , Bai Renren , Li Shijun , Xie Tian , Ye Xiang-Yang
Published: September 2021

A novel nickel-catalyzed asymmetric 1,2-vinylboration reaction has been developed to afford benzylic alkenylboration products with high yields and excellent enantioselectivities by using a chiral bisoxazoline ligand.
Visible light-mediated radical fluoromethylation via halogen atom transfer activation of fluoroiodomethane
Authors: Deneny Patrick J. , Kumar Roopender , Gaunt Matthew J.
Published: September 2021

Generation of fluoromethyl radicals via visible light-mediated halogen atom transfer activation of fluoroiodomethane facilitates both the multicomponent synthesis of α-fluoromethyl amines and the hydrofluoromethylation of electron-deficient alkenes.
Can playing Spirograph lead to an ordered structure in self-propelled particles?
Authors: Alamcheril Mephin Philip , Jain Umang , Babu Sujin B.
Published: September 2021

In the present study we introduce a simple model of self-propelled particles with constant linear velocity which captures the essential features of microorganism aggregation as well as the dynamics around an attractive point.
Influence of adsorption of ionic liquid constituents on the stability of layered double hydroxide colloids
Authors: Takács Dóra , Katana Bojana , Szerlauth Adél , Sebők Dániel , Tomšič Matija , Szilágyi István
Published: September 2021

The influence of ionic liquid (IL) anions and cations on the charging and aggregation properties of layered double hydroxide (LDH) nanoparticles was systematically studied.
Flow-driven competition between two capsules passing through a narrow pore
Authors: Li Yingxiang , Xing Baohua , Ding Mingming , Shi Tongfei , Sun Zhaoyan
Published: September 2021

By incorporating a distance function into the finite element simulation, we investigate the flow-driven competition between two soft capsules passing through a narrow pore.
Decomposition pathways and mitigation strategies for highly-stable hydroxyphenazine flow battery anolytes
Authors: Wellala Nadeesha P. N. , Hollas Aaron , Duanmu Kaining , Murugesan Vijayakumar , Zhang Xin , Feng Ruozhu , Shao Yuyan , Wang Wei
Published: September 2021

Tautomerization side reactions that limit cycling stability in hydroxy-substituted phenazines can be minimized by judicious location of the hydroxy groups on the phenazine, as demonstrated both computationally and experimentally.
Photothermal-triggered shape memory coatings with active repairing and corrosion sensing properties
Authors: Cheng Li , Liu Chengbao , Zhao Haichao , Wang Liping
Published: September 2021

A unique self-healing and corrosion reporting composite polymer is successfully constructed, aiming to achieve repairing ability for wider cracks under NIR excitation and report early corrosion in graphene-based dark coatings.
Multifunctional SnSe–C composite modified 3D scaffolds to regulate lithium nucleation and fast transport for dendrite-free lithium metal anodes
Authors: Shen Xiaojie , Zhao Guangyu , Yu Xianbo , Huang Huihuang , Wang Ming , Zhang Naiqing
Published: September 2021

The synergistic effect of the Li–Sn alloy and Li2Se to regulate lithium nucleation and fast transport.
Compositional engineering solutions for decreasing trap state density and improving thermal stability in perovskite solar cells
Authors: Mbumba Manala Tabu , Malouangou Davy Maurice , Tsiba Jadel Matondo , Akram Muhammad Waleed , Bai Luyun , Yang Yifan , Guli Mina
Published: September 2021

Cation compositional engineering in methylammonium lead iodide perovskites results in a controlled defect concentration of 1014cm−3and a thermally stable perovskite film. The device retains about 92% of its initial PCE even above 75 °C for more than 1000 h.
Lactate cross-talk in host–pathogen interactions
Authors: Llibre Alba , Grudzinska Frances S. , O'Shea Matthew K. , Duffy Darragh , Thickett David R. , Mauro Claudio , Scott Aaron
Published: September 2021

Lactate is the main product generated at the end of anaerobic glycolysis or during the Warburg effect and its role as an active signalling molecule is increasingly recognised. Lactate can be released and used by host cells, by pathogens and commensal organisms, thus being essential for the homeostasis of host–microbe interactions. Infection can alter this intricate balance, and the presence of lactate transporters in most human cells including immune cells, as well as in a variety of pathogens (including bacteria, fungi and complex parasites) demonstrates the importance of this metabolite in regulating host–pathogen interactions. This review will cover lactate secretion and sensing in humans and microbes, and will discuss the existing evidence supporting a role for lactate in pathogen growth and persistence, together with lactate's ability to impact the orchestration of effective immune responses. The ubiquitous presence of lactate in the context of infection and the ability of both host cells and pathogens to sense and respond to it, makes manipulation of lactate a potential novel therapeutic strategy. Here, we will discuss the preliminary research that has been carried out in the context of cancer, autoimmunity and inflammation.
Picturing science: using art and imagination to explore new worlds
Authors: Mierzwa Beata E. , Goodsell David S.
Published: September 2021

Artistic methods have been used throughout the history of science as a tool for research, dissemination, education and outreach. Traditional artistic approaches provide the flexibility to explore and integrate ideas, promoting hypothesis generation and inspiring creative thinking. We describe two artistic approaches that we have applied in our own research: the use of intuitive metaphors to make new connections and present scientific subjects in an interpretable manner, and an integrative approach that synthesizes diverse sources of data into a self-consistent image. The process of creating artistic renderings inspires us to examine scientific data from new angles and capture the current state of knowledge within a broader context. Artistic hands-on activities and non-traditional media like fashion and video games have the power to engage new communities, sparking curiosity for science and increasing public understanding. Overall, translating scientific concepts into art is a powerful tool for exploring scientific data as part of research, as well as bridging the gap between the scientific community and the general public.