bluuebunny/crossref_metadata_2025 huggingface dataset:
Pyruvate dehydrogenase complex—enzyme 2, a new target for Listeria spp. detection identified using combined phage display technologies
Authors: Moreira Gustavo Marçal Schmidt Garcia , Köllner Sarah Mara Stella , Helmsing Saskia , Jänsch Lothar , Meier Anja , Gronow Sabine , Boedeker Christian , Dübel Stefan , Mendonça Marcelo , Moreira Ângela Nunes , Conceição Fabricio Rochedo , Hust Michael
Published: September 2020

The genus Listeria comprises ubiquitous bacteria, commonly present in foods and food production facilities. In this study, three different phage display technologies were employed to discover targets, and to generate and characterize novel antibodies against Listeria: antibody display for biomarker discovery and antibody generation; ORFeome display for target identification; and single-gene display for epitope characterization. With this approach, pyruvate dehydrogenase complex—enzyme 2 (PDC-E2) was defined as a new detection target for Listeria, as confirmed by immunomagnetic separation-mass spectrometry (IMS-MS). Immunoblot and fluorescence microscopy showed that this protein is accessible on the bacterial cell surface of living cells. Recombinant PDC-E2 was produced in E. coli and used to generate 16 additional antibodies. The resulting set of 20 monoclonal scFv-Fc was tested in indirect ELISA against 17 Listeria and 16 non-Listeria species. Two of them provided 100% sensitivity (CI 82.35–100.0%) and specificity (CI 78.20–100.0%), confirming PDC-E2 as a suitable target for the detection of Listeria. The binding region of 18 of these antibodies was analyzed, revealing that ≈ 90% (16/18) bind to the lipoyl domains (LD) of the target. The novel target PDC-E2 and highly specific antibodies against it offer new opportunities to improve the detection of Listeria.
Post-mortem ventricular cerebrospinal fluid cell-free-mtDNA in neurodegenerative disease
Authors: Lowes Hannah , Kurzawa-Akanbi Marzena , Pyle Angela , Hudson Gavin
Published: September 2020

Cell-free mitochondrial DNA (cfmtDNA) is detectable in almost all human body fluids and has been associated with the onset and progression of several complex traits. In-life assessments indicate that reduced cfmtDNA is a feature of neurodegenerative diseases such as Parkinson’s disease, Alzheimer’s disease and multiple sclerosis. However, whether this feature is conserved across all neurodegenerative diseases and how it relates to the neurodegenerative processes remains unclear. In this study, we assessed the levels of ventricular cerebrospinal fluid-cfmtDNA (vCSF-cfmtDNA) in a diverse group of neurodegenerative diseases (NDDs) to determine if the in-life observations of reduced cfmtDNA seen in lumbar CSF translated to the post-mortem ventricular CSF. To investigate further, we compared vCSF-cfmtDNA levels to known protein markers of neurodegeneration, synaptic vesicles and mitochondrial integrity. Our data indicate that reduced vCSF-cfmtDNA is a feature specific to Parkinson’s and appears consistent throughout the disease course. Interestingly, we observed increased vCSF-cfmtDNA in the more neuropathologically severe NDD cases, but no association to protein markers of neurodegeneration, suggesting that vCSF-cfmtDNA release is more complex than mere cellular debris produced following neuronal death. We conclude that vCSF-cfmtDNA is reduced in PD, but not other NDDs, and appears to correlate to pathology. Although its utility as a prognostic biomarker is limited, our data indicate that higher levels of vCSF-cfmtDNA is associated with more severe clinical presentations; suggesting that it is associated with the neurodegenerative process. However, as vCSF-cfmtDNA does not appear to correlate to established indicators of neurodegeneration or indeed indicators of mitochondrial mass, further work to elucidate its exact role is needed.
Sex-specific effects of implementing a high-sensitivity troponin I assay in patients with suspected acute coronary syndrome: results from SWEDEHEART registry
Authors: Kimenai Dorien M. , Lindahl Bertil , Jernberg Tomas , Bekers Otto , Meex Steven J. R. , Eggers Kai M.
Published: September 2020

Using high-sensitivity cardiac troponin (hs-cTn) assays with sex-specific 99th percentiles may improve management of patients with suspected acute myocardial infarction (AMI). We investigated the impact of transitioning from a conventional troponin I assay to a high-sensitivity assay with sex-specific thresholds, in patients with suspected acute coronary syndrome admitted to Swedish coronary care units. Based on data from SWEDEHEART registry (females, n = 4,819/males, n = 7,670), we compared periods before and after implementation of hs-cTnI assay (Abbott) using sex-specific 99th percentiles. We investigated differences on discharge diagnosis, in-hospital examinations, treatments, and clinical outcome. Upon implementation of the hs-cTnI assay, proportion of patients with troponin levels above diagnostic AMI threshold increased in women and men by 24.3% versus 14.8%, respectively. Similarly, incidence of AMI increased by 11.5% and 9.8%. Diagnostic interventions and treatments increased regardless of sex. However, these associations did not persist following multivariable adjustment, probably due to the effect of temporal management trends during the observation period. Overall, no risk reduction on major adverse cardiovascular events was observed (HR: 0.91 [95% CI 0.80–1.03], P = 0.126). The implementation of hs-cTnI assay together with sex-specific 99th percentiles was associated with an increase in incidence of AMI regardless of sex, but had no major impact on clinical management and prognosis.
Polymorphisms of shadow of prion protein gene (SPRN) in Korean native cattle (Hanwoo) and Holstein cattle
Authors: Kim Yong-Chan , Kim Seon-Kwan , Won Sae-Young , Jeong Byung-Hoon
Published: September 2020

Bovine spongiform encephalopathy (BSE) is a fatal infectious neurodegenerative disease caused by the accumulation of pathogenic prion protein (PrPSc) in the central nervous system (CNS), particularly in the brain. In a recent study, the shadow of prion protein (Sho), encoded by the shadow of prion protein (SPRN) gene, accelerates the progression of prion diseases, and a 12-bp insertion/deletion polymorphism in the coding region of the SPRN gene is associated with susceptibility to atypical BSE-affected Polish cattle. To date, the genetic study of the SPRN gene in Korean cattle has not been performed. In this study, we investigated the genotype and allele frequencies of SPRN polymorphisms in 235 Hanwoo and 212 Holstein cattle and analyzed the linkage disequilibrium (LD) and haplotypes of SPRN polymorphisms. In addition, we compared the distribution of the 12-bp insertion/deletion polymorphism between atypical BSE-diagnosed Polish cattle and Korean cattle to evaluate the susceptibility of atypical BSE. Furthermore, we estimated a deleterious effect of polymorphisms on the Sho protein using PROVEAN. We found a total of seven polymorphisms, including one novel single nucleotide polymorphism (SNP), c.231G>A. We also found significantly different distributions of genotype, allele and haplotype frequencies of seven polymorphisms between Hanwoo and Korean Holstein cattle. In addition, all polymorphisms showed strong LDs among the seven polymorphisms. Interestingly, Hanwoo cattle showed more potential susceptible distribution in the genotype and allele frequencies of the 12-bp insertion/deletion polymorphisms of the SPRN gene than Holstein cattle. Finally, using PROVEAN, we found one novel deleterious nonsynonymous SNP to Sho protein, c.110G>C (G37A). To the best of our knowledge, this is the first study of the SPRN gene in Korean cattle.
Controllable ultraslow optical solitons in a degenerated two-level atomic medium under EIT assisted by a magnetic field
Authors: Hoang Minh Dong , Luong Thi Yen Nga , Dinh Xuan Khoa , Nguyen Huy Bang
Published: September 2020

We proposed a simple model for generation of controllable ultraslow optical solitons of a weak probe laser light in a degenerated two-level atomic medium under electromagnetically induced transparency assisted by a magnetic field. It is shown that bright and dark optical solitons can be formed from a probe light with controllable ultraslow group velocities at a few m/s by tuning the strength of a coupling light and/or the magnetic field. In addition to the ultraslow velocity, the advantage of this model is to use a sole laser for delivering both pump and probe lights. Furthermore, one can switch between bright and dark solitons by reversing the direction of the magnetic field. Such controllable ultraslow solitons are interested in finding applications in optical communications and optical data processing.
Association of age with the non-achievement of clinical and functional remission in rheumatoid arthritis
Authors: Aoki Tadashi , Ito Hideki , Ogura Takehisa , Hirata Ayako , Nishiwaki Yuji , Kameda Hideto
Published: September 2020

Patient-reported outcome (PRO) is included in the remission criteria of rheumatoid arthritis (RA). We aimed to determine the effect of age on PRO and the subsequent achievement of clinical and functional RA remission criteria. Three hundred and one patients with non-rheumatic diseases were evaluated using the 0–10 cm visual analog scale (VAS) assessment for musculoskeletal symptoms and a functional health assessment questionnaire-disability index (HAQ-DI). These assessments were compared with those obtained from 149 patients with RA with negative tender/swollen joint counts and normal serum C-reactive levels (objective clinical remission). Of the 301 patients, 32.2%, 26.6%, and 41.2% were classified as non-elderly (< 65 years), early elderly (65–74 years), and late-elderly (≥ 75 years) patients, respectively. VAS > 1 cm and HAQ-DI ≥ 0.5 were observed in 7.3% and 14.5%, respectively, in late-elderly patients, whereas ≤ 1.0% of non-elderly and early elderly patients for the both. Among 149 RA patients in objective remission, however, > 20% and > 10% of early elderly patients (and even non-elderly patients) had VAS > 1 cm and HAQ-DI ≥ 0.5, respectively, and 34.0% and 35.8% of late-elderly patients with RA had VAS > 1 cm and HAQ-DI ≥ 0.5, respectively. Multivariate logistic analysis revealed that age and RA were associated with the non-achievement of VAS ≤ 1 cm and HAQ-DI < 0.5. Therefore, the effect of age, which was independent of the presence of RA even without any objective disease activity, on PRO and the non-achievement of clinical and functional remission criteria was demonstrated.
Transcriptomic sex differences in sensory neuronal populations of mice
Authors: Mecklenburg Jennifer , Zou Yi , Wangzhou Andi , Garcia Dawn , Lai Zhao , Tumanov Alexei V. , Dussor Gregory , Price Theodore J. , Akopian Armen N.
Published: September 2020

Many chronic pain conditions show sex differences in their epidemiology. This could be attributed to sex-dependent differential expression of genes (DEGs) involved in nociceptive pathways, including sensory neurons. This study aimed to identify sex-dependent DEGs in estrous female versus male sensory neurons, which were prepared by using different approaches and ganglion types. RNA-seq on non-purified sensory neuronal preparations, such as whole dorsal root ganglion (DRG) and hindpaw tissues, revealed only a few sex-dependent DEGs. Sensory neuron purification increased numbers of sex-dependent DEGs. These DEG sets were substantially influenced by preparation approaches and ganglion types [DRG vs trigeminal ganglia (TG)]. Percoll-gradient enriched DRG and TG neuronal fractions produced distinct sex-dependent DEG groups. We next isolated a subset of sensory neurons by sorting DRG neurons back-labeled from paw and thigh muscle. These neurons have a unique sex-dependent DEG set, yet there is similarity in biological processes linked to these different groups of sex-dependent DEGs. Female-predominant DEGs in sensory neurons relate to inflammatory, synaptic transmission and extracellular matrix reorganization processes that could exacerbate neuro-inflammation severity, especially in TG. Male-selective DEGs were linked to oxidative phosphorylation and protein/molecule metabolism and production. Our findings catalog preparation-dependent sex differences in neuronal gene expressions in sensory ganglia.
Fermionic order by disorder in a van der Waals antiferromagnet
Authors: Okuma R. , Ueta D. , Kuniyoshi S. , Fujisawa Y. , Smith B. , Hsu C. H. , Inagaki Y. , Si W. , Kawae T. , Lin H. , Chuang F. C. , Masuda T. , Kobayashi R. , Okada Y.
Published: September 2020

CeTe3 is a unique platform to investigate the itinerant magnetism in a van der Waals (vdW) coupled metal. Despite chemical pressure being a promising route to boost quantum fluctuation in this system, a systematic study on the chemical pressure effect on Ce3+(4f1) states is absent. Here, we report on the successful growth of a series of Se doped single crystals of CeTe3. We found a fluctuation driven exotic magnetic rotation from the usual easy-axis ordering to an unusual hard-axis ordering. Unlike in localized magnetic systems, near-critical magnetism can increase itinerancy hand-in-hand with enhancing fluctuation of magnetism. Thus, seemingly unstable hard-axis ordering emerges through kinetic energy gain, with the self-consistent observation of enhanced magnetic fluctuation (disorder). As far as we recognize, this order-by-disorder process in fermionic system is observed for the first time within vdW materials. Our finding opens a unique experimental platform for direct visualization of the rich quasiparticle Fermi surface deformation associated with the Fermionic order-by-disorder process. Also, the search for emergent exotic phases by further tuning of quantum fluctuation is suggested as a promising future challenge.
Exploring the effect of nsSNPs in human YPEL3 gene in cellular senescence
Authors: Singh Abhishek , Thakur Mukesh , Singh Sujeet Kumar , Sharma Lalit Kumar , Chandra Kailash
Published: September 2020

YPEL3 that induces cellular senescence in both normal and tumour cells of humans may show altered expression under the influence of incidental mutations. In this study, we proposed the first structure of Native YPEL3 protein and its five possible deleterious mutants—V40M, C61Y, G98R, G108S, and A131T and predicted their deleterious effects to alter stability, flexibility and conformational changes in the protein. The MD simulation (RMSD, RMSF, Rg, h-bond and SASA) analysis revealed that the variants V40M, G98R and G108S increased the flexibility in protein, and variant V40M imparted more compactness to the protein.. In general, variants attributed changes in the native conformation and structure of the YPEL3 protein which might affect the native function of cellular senescence. The study provides opportunities for health professionals and practitioners in formulating précised medicines to effectively cure various cancers. We propose in-vitro or in-vivo studies should consider these reported nsSNPs while examining any malfunction in the YPEL3 protein.
The influenza virus NS1A binding protein gene modulates macrophages response to cytokines and phagocytic potential in inflammation
Authors: Hotter Georgina , Mastora Chrysoula , Jung Michaela , Brüne Bernhard , Carbonell Teresa , Josa Claudia , Pérez-Calvo Juan Ignacio , Cruzado Josep Maria , Guiteras Roser , Sola Anna
Published: September 2020

Macrophages show remarkable phenotypic plasticity in response to environmental signals. Although it is generally less considered, cytoskeletal changes in macrophages influence their phenotype, including phagocytosis and secretion of soluble cytokines. Influenza virus NS1A-binding protein (Ivns1abp) belongs to the Kelch family of proteins that play a central role in actin cytoskeleton dynamics by directly associating with F-actin and by protecting against actin derangement. Due to its role in cytoskeleton preservation, the Ivns1abp gene might be a critical regulator of the macrophage phenotype and function under inflammatory conditions. In this study, we determine that the modulation of the Ivns1abp gene in macrophages could modify resistance to macrophages against inflammation and maintain functional phagocytosis. Our results indicate that inflammatory insults inhibit the Ivns1abp gene, whereby phagocytosis is inhibited and the ability of macrophages to induce proliferation and repair of damaged cells is compromised. Furthermore, our results show that inflammatory insults alter the activity of the transcription factor c-myc, a factor which directly modulates the expression of the Ivns1abp gene. In conclusion, this study demonstrates a central role of lvns1abp in promoting and preserving a reparative macrophage phenotype and resistance to this inflammatory environment.
On-chip protein separation with single-molecule resolution
Authors: Zrehen Adam , Ohayon Shilo , Huttner Diana , Meller Amit
Published: September 2020

Accurate identification of both abundant and rare proteins hinges on the development of single-protein sensing methods. Given the immense variation in protein expression levels in a cell, separation of proteins by weight would improve protein classification strategies. Upstream separation facilitates sample binning into smaller groups while also preventing sensor overflow, as may be caused by highly abundant proteins in cell lysates or clinical samples. Here, we scale a bulk analysis method for protein separation, sodium dodecyl sulfate–polyacrylamide gel electrophoresis (SDS-PAGE), to the single-molecule level using single-photon sensitive widefield imaging. Single-molecule sensing of the electrokinetically moving proteins is achieved by in situ polymerization of the PAGE in a low-profile fluidic channel having a depth of only ~ 0.6 µm. The polyacrylamide gel restricts the Brownian kinetics of the proteins, while the low-profile channel ensures that they remain in focus during imaging, allowing video-rate monitoring of single-protein migration. Calibration of the device involves separating a set of Atto647N-covalently labeled recombinant proteins in the size range of 14–70 kDa, yielding an exponential dependence of the proteins’ molecular weights on the measured mobilities, as expected. Subsequently, we demonstrate the ability of our fluidic device to separate and image thousands of proteins directly extracted from a human cancer cell line. Using single-particle image analysis methods, we created detailed profiles of the separation kinetics of lysine and cysteine -labeled proteins. Downstream coupling of the device to single-protein identification sensors may provide superior protein classification and improve our ability to analyze complex biological and medical protein samples.
Author Correction: Arctic avian predators synchronise their spring migration with the northern progression of snowmelt
Authors: Curk Teja , Pokrovsky Ivan , Lecomte Nicolas , Aarvak Tomas , Brinker David F. , Burnham Kurt , Dietz Andreas , Dixon Andrew , Franke Alastair , Gauthier Gilles , Jacobsen Karl-Otto , Kidd Jeff , Lewis Stephen B. , Øien Ingar J. , Sokolov Aleksandr , Sokolov Vasiliy , Solheim Roar , Weidensaul Scott , Wiebe Karen , Wikelski Martin , Therrien Jean-François , Safi Kamran
Published: September 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
The diffusion of doxorubicin drug molecules in silica nanoslits is non-Gaussian, intermittent and anticorrelated
Authors: Díez Fernández Amanda , Charchar Patrick , Cherstvy Andrey G. , Metzler Ralf , Finnis Michael W.
Published: September 2020

The motion of the confined doxorubicin drug molecule exhibits an interesting combination of anomalous diffusion features.
High energy density anodes using hybrid Li intercalation and plating mechanisms on natural graphite
Authors: Son Yeonguk , Lee Taeyong , Wen Bo , Ma Jiyoung , Jo Changshin , Cho Yoon-Gyo , Boies Adam , Cho Jaephil , De Volder Michael
Published: September 2020

A novel Li-Ion battery anode is presented which leverages the good performance of industrial graphite anodes and enhances their performance by allowing for reversible Li plating on their surface.
Morin as an imminent functional food ingredient: an update on its enhanced efficacy in the treatment and prevention of metabolic syndromes
Authors: Thakur Kiran , Zhu Yun-Yang , Feng Jing-Yu , Zhang Jian-Guo , Hu Fei , Prasad Chandan , Wei Zhao-Jun
Published: September 2020

The sources, chemistry, functional potency, and protective effects of morin on metabolic syndromes ranging from cancer to brain injury were updated. As a whole, morin can be identified as a therapeutic agent for the expansion of human health.
Conformational changes in bovine α-lactalbumin and β-lactoglobulin evoked by interaction with C18 unsaturated fatty acids provide insights into increased allergic potential
Authors: Meng Xuanyi , Zeng Zheling , Gao Jinyan , Tong Ping , Wu Yong , Li Xin , Chen Hongbing
Published: September 2020

Bovine α-lactalbumin (BLA) and β-lactoglobulin (BLG) are the most common and severe food allergens in milk and they can bind C18 unsaturated fatty acids (UFAs) and their bioactivities were changed.
Correction: Self-powered integrated system of a strain sensor and flexible all-solid-state supercapacitor by using a high performance ionic organohydrogel
Authors: Huang Jianren , Peng Shuijiao , Gu Jianfeng , Chen Guoqi , Gao Jianhong , Zhang Jin , Hou Linxi , Yang Xiaoxiang , Jiang Xiancai , Guan Lunhui
Published: September 2020

Correction for ‘Self-powered integrated system of a strain sensor and flexible all-solid-state supercapacitor by using a high performance ionic organohydrogel’ by Jianren Huang et al., Mater. Horiz., 2020, 7, 2085–2096, DOI: 10.1039/D0MH00100G.
The blood copper isotopic composition is a prognostic indicator of the hepatic injury in Wilson disease
Authors: Lamboux Aline , Couchonnal-Bedoya Eduardo , Guillaud Olivier , Laurencin Chloé , Lion-François Laurence , Belmalih Abdelouahed , Mintz Elisabeth , Brun Virginie , Bost Muriel , Lachaux Alain , Balter Vincent
Published: September 2020

Wilson disease (WD) is an autosomal recessive disorder of copper (Cu) metabolism. The gene responsible for WD, ATP7B, is involved in the cellular transport of Cu, and mutations in the ATP7B gene induce accumulation of Cu in the liver and ultimately in the brain. In a pilot study, the natural variations of copper stable isotope ratios (65Cu/63Cu) in the serum of WD patients have been shown to differ from that of healthy controls. In the present study, we challenged these first results by measuring the 65Cu/63Cu ratios in the blood of treated (n = 25), naïve patients (n = 11) and age matched healthy controls (n = 75). The results show that naïve patients and healthy controls exhibit undistinguishable 65Cu/63Cu ratios, implying that the Cu isotopic ratio cannot serve as a reliable diagnostic biomarker. The type of treatment (d-penicillamine vs. triethylenetetramine) does not affect the 65Cu/63Cu ratios in WD patients, which remain constant regardless of the type and duration of the treatment. In addition, the 65Cu/63Cu ratios do not vary in naïve patients after the onset of the treatment. However, the 65Cu/63Cu ratios decrease with the degree of liver fibrosis and the gradient of the phenotypic presentation, i.e. presymptomatic, hepatic and neurologic. To get insights into the mechanisms at work, we study the effects of the progress of the WD on the organism by measuring the Cu concentrations and the 65Cu/63Cu ratios in the liver, feces and plasma of 12 and 45 week old Atp7b−/− mice. The evolution of the 65Cu/63Cu ratios is marked by a decrease in all tissues. The results show that 63Cu accumulates in the liver preferentially to 65Cu due to the preferential cellular entry of 63Cu and the impairment of the 63Cu exit by ceruloplasmin. The hepatic accumulation of monovalent 63Cu+ is likely to fuel the production of free radicals, which is potentially an explanation of the pathogenicity of WD. Altogether, the results suggest that the blood 65Cu/63Cu ratio recapitulates WD progression and is a potential prognostic biomarker of WD.
The electrochemical storage mechanism of an In2S3/C nanofiber anode for high-performance Li-ion and Na-ion batteries
Authors: Yuan Yiting , Yang Min , Liu Li , Xia Jing , Yan Hanxiao , Liu Junfang , Wen Jiaxing , Zhang Yue , Wang Xianyou
Published: September 2020

There are only a handful of reports on indium sulfide (In2S3) in the electrochemical energy storage field without a clear electrochemical reaction mechanism.
Two-dimensional growth mode of thiolate-protected gold nanoclusters Au28+4n(SR)20+2n (n = 0–8): compared with their one-dimensional growth mode
Authors: Liu Pengye , Han Wenhua , Zheng Mengke , Xu Wen Wu
Published: September 2020

In this paper, six new atomic structures of thiolate-protected gold nanoclusters, i.e. Au32(SR)20, Au40(SR)26, Au48(SR)30, two Au56(SR)34, and Au60(SR)36, are predicted.
In vivoandin vitrostudies of antisense oligonucleotides – a review
Authors: Kilanowska Anna , Studzińska Sylwia
Published: September 2020

Metabolism of ASOs is based on exonucleases degradation of subsequent nucleotides, with the activity of endonucleases in the case of some modifications.
n-Type conducting P doped ZnO thin films via chemical vapor deposition
Authors: Zhao Donglei , Li Jianwei , Sathasivam Sanjayan , Carmalt Claire J.
Published: September 2020

P doped ZnO thin films showing enhanced electrical conductivity.
Design, synthesis and insecticidal activity of novel analogues of flubendiamide containing alkoxyhexafluoroisopropyl groups
Authors: Zhao Xianghu , Xu Sixue , Liu Chuan , He Jingjing , Li Chunmei , Deng Yupian , Cao Song
Published: September 2020

A series of novel analogues of flubendiamide bearing alkoxyhexafluoroisopropyl moiety was synthesized. Their insecticidal activities against various insects were evaluated.
Pretreatment and fermentation of lignocellulosic biomass: reaction mechanisms and process engineering
Authors: Rahmati Shahrooz , Doherty William , Dubal Deepak , Atanda Luqman , Moghaddam Lalehvash , Sonar Prashant , Hessel Volker , Ostrikov Kostya (Ken)
Published: September 2020

At a time of rapid depletion of oil resources, global food shortages and solid waste problems, it is imperative to encourage research into the use of appropriate pre-treatment techniques using regenerative raw materials such as lignocellulosic biomass.
Illuminating elite patches of chemical space
Authors: Verhellen Jonas , Van den Abeele Jeriek
Published: September 2020

We report a novel algorithm that produces a large diversity of high-performing molecules, illuminates the distribution of optimal solutions, and improves search efficiency compared to both machine learning and genetic algorithm approaches.
Ultra-thin films of solution-exfoliated hexagonal boron nitride by Langmuir deposition
Authors: Nasr Esfahani Azam , Malcolm Alan J. , Xu Luzhu , Yang HeeBong , Storwick Thomas , Kim Na Young , Pope Michael A.
Published: September 2020

Langmuir films of pure, solution-exfoliated hexagonal boron nitride, transferable to arbitrary substrates, are demonstrated as promising dielectric layers suitable for transparent and flexible optoelectronics.
Layer-dependent SERS enhancement of TiS2 prepared by simple electrochemical intercalation
Authors: Weng Chaocang , Luo Yuanyuan , Wang Bingfang , Shi Jianping , Gao Lei , Cao Zhenyu , Duan Guotao
Published: September 2020

With the decrease of the layers, the SERS activity of TiS2 in the detection of organic molecules was significantly enhanced.
A porous organic framework composite embedded with Au nanoparticles: an ultrasensitive electrochemical aptasensor toward detection of oxytetracycline
Authors: Han Zhang-Ye , Zhu Qian-Qian , Zhang Han-Wen , Yuan Rongrong , He Hongming
Published: September 2020

The fabricated Au@POF-based biosensor has outstanding detectability toward oxytetracycline even in various real samples.
Two‐stage optimal MPC for hybrid energy storage operation to enable smooth wind power integration
Authors: Guo Tingting , Zhu Yuwei , Liu Youbo , Gu Chenghong , Liu Junyong
Published: September 2020

The large‐scale penetration of wind generation imposes challenges on the security of power system operation due to the intermittency and stochastic volatility. Hybrid energy storage system (HESS), which combines battery banks and super‐capacitors, is applied in this study to smooth wind fluctuations to facilitate the grid‐friendly integration. To optimally schedule HESS charge/discharge in an online receding horizon, a novel two‐stage model predictive control (MPC) scheme is proposed. The first stage determines the initial charge/discharge profiles for battery banks at a large time scale, while the second stage quantifies the optimal amendment to update them and determines the operation strategies for super‐capacitors at a smaller time scale. According to the rolling update of wind forecasting, the two‐stage model is successively solved in a receding horizon to generate the most appropriate operation strategies. The proposed method also optimises the state of charge of HESS, yielding sufficient margin to cope with wind uncertainties, making HESS operation more reliable and robust. The case study demonstrates that the proposed model can enable an effective smoothing effect on wind generation volatility by fully utilising energy storage systems of various distinct characteristics, providing a powerful tool to facilitate the smooth integration in a large scale in practice.
SAR imaging of multiple maritime moving targets based on sparsity Bayesian learning
Authors: Zhang Yun , Mu Huilin , Xiao Tian , Jiang Yicheng , Ding Chang
Published: September 2020

Imaging of multiple maritime moving targets is a challenging task in the synthetic aperture radar (SAR) system owing to the fact that the complex target motion produces evident image defocusing. Given that the sparsity of ship targets in the SAR image, the authors propose a new imaging method of multiple maritime moving targets based on sparsity Bayesian learning. To avoid the overcomplete velocity dictionary with heavy computational burden, the Gaussian chirplet transform is exploited and improved based on the velocity constraint to estimate target Doppler parameters for the observation matrix construction. An observation model is established for imaging multiple ship targets. In the proposed method, the multiple ship target imaging task is formulated into the sparsity Bayesian framework, which provides a posterior density function for the target image and improves the imaging quality over the conventional methods based on the point estimate. The Bayesian compressive sensing (BCS) using a hierarchical form of the Laplace prior is applied to reconstruct the moving target image. Since BCS provides an estimation of the uncertainty in the reconstruction, the sea clutter can be well suppressed while the multiple targets are refocused. Simulations and experimental Gaofen‐3 data are performed to verify the effectiveness of the proposed method.
Lohnt es sich an meiner Sucht zu arbeiten?
Authors: Schott Tobias , Haarig Frederik , Burkhardt Markus , Barth Thomas
Published: September 2020

Fragestellung Ein vorzeitiger Behandlungsabbruch stellt eines der häufigsten Probleme in der stationären Entgiftungsbehandlung dar. Die vorliegende Studie ist der Frage nach der Rolle motivationaler Faktoren nachgegangen.

Methode Es wurden 85 PatientInnen neben den routinemäßig erhobenen Befunddaten, zum Zeitpunkt der Aufnahme als auch der Entlassung verschiedene Fragebögen zur Symptomschwere psychischer Störungen, Funktionsbeeinträchtigungen sowie Veränderungsmotivation vorgelegt.

Ergebnisse PatientInnen, die die Behandlung abgeschlossen haben, gaben eine signifikant höhere Veränderungsmotivation an, als PatientInnen, die die Behandlung vorzeitig abgebrochen haben. Dabei hatte die Contemplations-Phase einen prädiktiven Wert (OR: 3,472) auf einen Behandlungsabbruch. Eine erfolgreich absolvierte Behandlung reduziert signifikant die Symptomschwere psychischer Störungen sowie Funktionsbeeinträchtigungen. Auf der Ebene der Veränderungsmotivation zeichnet sich ein signifikanter Zuwachs.

Schlussfolgerung Neben den bekannten Risiken für einen Abbruch scheint die messbare Veränderungsmotivation zu Beginn der Behandlung einen möglichen Marker für den Behandlungsverlauf darzustellen. Implikationen für die klinische Praxis werden abgeleitet.
Improvement in appropriateness and diagnostic yield of fast-track endoscopy during the COVID-19 pandemic in Northern Italy
Authors: Manes Gianpiero , Saibeni Simone , Pellegrini Lucienne , Picascia Desiree , Pace Fabio , Schettino Mario , Bezzio Cristina , de Nucci Germana , Hassan Cesare , Repici Alessandro ,   and The Fast-Track Endoscopy Study Group
Published: September 2020

Background During the COVID-19 outbreak in Italy, only fast-track endoscopic procedures have been performed; nevertheless, a significant drop in their number has been reported. We evaluated whether the pandemic has impacted the appropriateness and diagnostic yield of fast-track endoscopic procedures compared with those performed in 2019.

Methods This retrospective study involved endoscopy services in Northern Italy. We compared data regarding endoscopic procedures performed in March and April 2020 with those performed during the same period in 2019.

Results In 2020, there was a 53.6 % reduction in the number of fast-track endoscopic procedures compared with 2019. Patients undergoing endoscopy in 2020 were younger than in 2019. Both appropriate referral and diagnostic yield increased in 2020 for both upper and lower endoscopy. A higher rate of cancer was diagnosed in 2020 by upper endoscopy (3.6 % vs. 6.6 %; P = 0.04).

Conclusions The high level of inappropriate endoscopy referrals registered in 2019 significantly improved during the COVID-19 outbreak of 2020, with an increase in the diagnostic yield.
Effect of Stifle Flexion Angle on the Repeatability of Real-Time Elastosonography of the Patellar Ligament in Medium- to Large-Breed Dogs
Authors: McCagherty Joanna , Longo Maurizio , Pennington Catrina , Liuti Tiziana , Morrison Linda R. , Brown Helen , Clements Dylan Neil
Published: September 2020

Objective The aims of this study were to describe the elastosonographic findings of the patellar ligament in healthy dogs >15 kg in different positions and determine the most appropriate stifle angle to perform elastosonography of the patellar ligament.

Study Design Eighteen clinically healthy dogs, weighing >15 kg, were prospectively recruited. B-mode ultrasound and real-time elastosonography of both patellar ligaments were performed on days 0 and 14. Elastosonography examinations were performed with the stifle in four positions: standing position, lateral recumbency with the stifle positioned at 135 degrees extension and in full passive flexion and extension.

Results The percentage hardness of the patellar ligament was significantly lower when the elastosonographic examination was performed with the dog standing, compared with the other positions (p < 0.005). The variability in the elastosonography readings for each stifle position was lowest when the dog was standing (89.32%).

Conclusion Elastosonography is a feasible technique for evaluating the elasticity of the normal canine patellar ligament in dogs >15 kg and would be a useful technique for investigating the mechanical changes within the patellar ligament following stifle surgery. Elastosonography of the patellar ligament should be performed with the dog standing to provide the most accurate elastosonograms with lowest variability between readings.
Development and Assessment of Novel Multiligament Knee Injury Reconstruction Graft Constructs and Techniques
Authors: Cook James L. , Cook Cristi R. , Bozynski Chantelle C. , Bezold Will A. , Stannard James P.
Published: September 2020

Multiligament knee injury (MLKI) typically requires surgical reconstruction to achieve the optimal outcomes for patients. Revision and failure rates after surgical reconstruction for MLKI can be as high as 40%, suggesting the need for improvements in graft constructs and implantation techniques. This study assessed novel graft constructs and surgical implantation and fixation techniques for anterior cruciate ligament (ACL), posterior cruciate ligament (PCL), posterior medial corner (PMC), and posterior lateral corner (PLC) reconstruction. Study objectives were (1) to describe each construct and technique in detail, and (2) to optimize MLKI reconstruction surgical techniques using these constructs so as to consistently implant grafts in correct anatomical locations while preserving bone stock and minimizing overlap. Cadaveric knees (n = 3) were instrumented to perform arthroscopic-assisted and open surgical creation of sockets and tunnels for all components of MLKI reconstruction using our novel techniques. Sockets and tunnels with potential for overlap were identified and assessed to measure the minimum distances between them using gross, computed tomographic, and finite element analysis-based measurements. Percentage of bone volume spared for each knee was also calculated. Femoral PLC-lateral collateral ligament and femoral PMC sockets, as well as tibial PCL and tibial PMC posterior oblique ligament sockets, were at high risk for overlap. Femoral ACL and femoral PLC lateral collateral ligament sockets and tibial popliteal tendon and tibial posterior oblique ligament sockets were at moderate risk for overlap. However, with careful planning based on awareness of at-risk MLKI graft combinations in conjunction with protection of the socket/tunnel and trajectory adjustment using fluoroscopic guidance, the novel constructs and techniques allow for consistent surgical reconstruction of all major ligaments in MLKIs such that socket and tunnel overlap can be consistently avoided. As such, the potential advantages of the constructs, including improved graft-to-bone integration, capabilities for sequential tensioning of the graft, and bone sparing effects, can be implemented.
Multiple Myeloma Management in COVID-19 Era
Authors: Kurniawan Andree , Halim Devina Adella , Sutandyo Noorwati
Published: September 2020

Introduction Coronavirus disease 2019 (COVID-19) has become a world pandemic since early 2020. The complexity of handling multiple myeloma (MM) has increased substantially during this pandemic. The objective of this review is to know the current recommendation to manage MM in the COVID-19 era.

Materials and Methods Electronic databases, including PubMed central and PubMed, were used to conduct a literature search. It was conducted on May 18, 2020, using the keywords “multiple myeloma” AND “COVID-19” AND “Prevalence OR Impact OR treatment OR prophylactic.” The included articles were review articles, recommendations, case reports or series, or population-based studies (cross-sectional, cohort, case-control, or interventional), and full-text if available.

Results A total of 124 articles were identified through the search strategy. The two reviewers screened titles and abstracts of all articles. Most articles were excluded because of ineligible to the criteria. Ultimately, 18 articles were included in the final evaluation. MM patients might have higher risk to become severe COVID-19 if they got infected due to their immunocompromised condition. Due to the pandemic, precise treatment priorities should be made by considering its benefit and the risk of MM progression. For the young, especially healthy patients, the most effective therapy should be offered and tailored to the patient’s goal. Several MM societies have published the recommendation regarding the special stage of MM.

Conclusion Myeloma societies in the world have released recommendations related to the management of myeloma patients. However, there is scarce of evidence to do the recommendation.
Origin of band inversion in topological Bi2Se3
Authors: Chege Stephen , Ning’i Patrick , Sifuna James , Amolo George O.
Published: September 2020

Topological materials and more so insulators have become ideal candidates for spintronics and other novel applications. These materials portray band inversion that is considered to be a key signature of topology. It is not yet clear what drives band inversion in these materials and the basic inferences when band inversion is observed. We employed a state-of-the-art ab initio method to demonstrate band inversion in topological bulk Bi2Se3 and subsequently provided a reason explaining why the inversion occurred. From our work, a topological surface state for Bi2Se3 was described by a single gap-less Dirac cone at k→ = 0, which was essentially at the Γ point in the surface Brilloiun zone. We realized that band inversion in Bi2Se3 was not entirely dependent on spin–orbit coupling as proposed in many studies but also occurred as a result of both scalar relativistic effects and lattice distortions. Spin–orbit coupling was seen to drive gap opening, but it was not important in obtaining a band inversion. Our calculations reveal that Bi2Se3 has an energy gap of about 0.28 eV, which, in principle, agrees well with the experimental gap of ≈0.20 eV–0.30 eV. This work contributes to the understanding of the not so common field of spintronics, eventually aiding in the engineering of materials in different phases in a non-volatile manner.
Population genetic structure and genetic diversity of Acetes chinensis in the East China Sea
Authors: Deng Zhaochao , Liu Hui , Han Zhiqiang
Published: September 2020

The northern mauxia shrimp (Acetes chinensis) is a widely distributed species, and is the main food for many fish of economic importance and other marine organisms. Unfortunately, research on the genetic diversity and differentiation of the A. chinensis population is lacking. We investigated the population genetic structure and genetic diversity of A. chinensis in the East China Sea using the mitochondrial DNA cytochrome c oxidase I (COI) gene. Low overall haplotype diversity, but moderate overall nucleotide diversity, was found compared with other shrimp species. The results also demonstrated that there were two different groups in this region. The patterns of population demography suggest that both Lineages I and II experienced sudden expansions. The findings of this study provide basic information for the protection and management of A. chinensis in the East China Sea.
The Determination of Thiourea Dioxide Residue in Pasta Products by LVFX-AuNPs Fluorescence Resonance Energy Transfer Spectrometry
Authors: Xi Huiping , Fang Xiuwei
Published: September 2020

Fluorescence resonance energy transfer occurs between levofloxacin (LVFX) and gold nanoparticles (AuNPs), which leads to fluorescence quenching of levofloxacin. Due to the strong Au-S bond formed between thiourea dioxide and gold nanoparticles, levofloxacin is released from the surface of gold nanoparticles and fluorescence of the system is recovered. Based on this, a fluorescence spectrometry method for determination of thiourea dioxide was established. This method was used to determine the content of thiourea dioxide in pasta products with RSD less than 3.5% and recovery rate of 93.3~103.3%.
Magnetism of Layered TiO2
Authors: Liu C M , Gan L , Zhang H Y , Dai J D , Fang D
Published: September 2020

Room temperature ferromagnetism with large saturation magnetism was first observed in layered TiO2 (LT). The LT is in rich of oxygen vacancy and free of magnetic transition metal elements. The temperature dependence of magnetism indicates that carrier mobility and carrier number of LT are larger than that of anatase TiO2 (AT) and amorphous TiO2 (AMT). The room temperature ferromagnetism is an intrinsic property of LT since there are no magnetic transition metal elements in LT. LT is a good platform to study two-dimensional (2D) magnetism.
Status-of-the-Art for Self-healing Concrete
Authors: Li Xiaopeng , Zhao Shangchuan , Wang Shaopeng
Published: September 2020

Concrete is one of the most widely-used materials in construction. However, there often exist some inevitable cracks due to its brittleness. The durability and service life of the concrete structure will therefore be reduced largely. Self-healing concrete is one of the feasible and effective techniques which can respond to cracks in an astute way, and easing or even repair the cracks completely. Overviews are provided here with concrete self-healing mechanism and self-healing trigger mechanism. Based on the related principles of self-healing technology, the paper analyzes the existing self-healing technology from different aspects and forecasts the future development direction. Concrete self-healing mechanisms are classified mainly into three types as physical, chemical and biological ones. Self-healing trigger mechanisms are summed up with two aspects as physical trigger and chemical trigger respective. In recent years, concrete self-healing mainly develops to chemical, biological and composite repair mechanisms, and the trigger mechanism develops to chemical trigger such as ion trigger. Based on the recent development of technology some viewpoints about present technology improvements and major future developments are pointed out for reference.
Comparative Analysis of Road Performance of TPE Modified Asphalt
Authors: Yang Chenhui , Dong Rui , Du Rongjie , Yu Hengchang , Cao Dongwei
Published: September 2020

The paper tested conventional and Srtategic Highway Research Program(SHRP) index performance of TPE and SBS modified asphalt. The test results show that TPE modified asphalt can effectively improve the high temperature performance, water stability and low temperature performance of asphalt mixture. Although the performance of TPE modified asphalt is inferior to SBS modified asphalt, the three major indexes all meet the specification requirements. The overall road performance of TPE modified asphalt mixture meets the technical requirements of modified asphalt, and even from the rut test and SPT test results, the high-temperature anti rut performance is higher than SBS asphalt mixture.
Numerical Simulation of GAEM for Asymmetric Double-Lumen Plastic Micro-Catheter
Authors: Ren Zhong
Published: September 2020

In the study, the numerical simulations of gas-assisted extrusion molding (GAEM) of double-lumen micro-catheter (DLMC) with asymmetric structure were performed via the finite element software package Polyflow. At the same time, the numerical results of traditional extrusion were also obtained. The numerical extrusion profile, deformation, and the die swell ratios of DLMC based on the traditional and GAEM were all gotten, and compared with each other. In addition, to analyze the effect of gas-assisted on the elimination of the extrusion problems, the physical field distributions of melt for both extrusions were also compared and analyzed. Numerical results show that the obvious die swell and large extrusion deformation of DLMC generated by the traditional method were all eliminated by using the GAEM.
Study on the Arcs Interaction in Plasma-GMAW Hybrid Welding
Authors: Wu Xiangyang , Tian Renyong , Zhang Zhiyi , Li Yanan , Jin Cheng
Published: September 2020

A 3D model was established to study the arcs interaction behaviors in a plasma-GMAW hybrid welding process using Computational Fluid Dynamics (CFD) method. The temperature field and electromagnetic force distribution were obtained. The effects of Lorentz force on the hybrid arcs were analyzed. Results show that the Lorentz force density in plasma arc zone is much larger than that of the GMAW arc zone. It moves the GMAW arc backward in the welding direction but makes the plasma arc move forward and enhance its stiffness.