bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tomographic mapping of the hidden dimension in quasi-particle interference
Authors: Marques C. A. , Bahramy M. S. , Trainer C. , Marković I. , Watson M. D. , Mazzola F. , Rajan A. , Raub T. D. , King P. D. C. , Wahl P. 
Published: November 2021

AbstractQuasiparticle interference (QPI) imaging is well established to study the low-energy electronic structure in strongly correlated electron materials with unrivalled energy resolution. Yet, being a surface-sensitive technique, the interpretation of QPI only works well for anisotropic materials, where the dispersion in the direction perpendicular to the surface can be neglected and the quasiparticle interference is dominated by a quasi-2D electronic structure. Here, we explore QPI imaging of galena, a material with an electronic structure that does not exhibit pronounced anisotropy. We find that the quasiparticle interference signal is dominated by scattering vectors which are parallel to the surface plane however originate from bias-dependent cuts of the 3D electronic structure. We develop a formalism for the theoretical description of the QPI signal and demonstrate how this quasiparticle tomography can be used to obtain information about the 3D electronic structure and orbital character of the bands.
Twofold symmetry of c-axis resistivity in topological kagome superconductor CsV3Sb5 with in-plane rotating magnetic field
Authors: Xiang Ying , Li Qing , Li Yongkai , Xie Wei , Yang Huan , Wang Zhiwei , Yao Yugui , Wen Hai-Hu 
Published: November 2021

AbstractIn transition metal compounds, due to the interplay of charge, spin, lattice and orbital degrees of freedom, many intertwined orders exist with close energies. One of the commonly observed states is the so-called nematic electron state, which breaks the in-plane rotational symmetry. This nematic state appears in cuprates, iron-based superconductor, etc. Nematicity may coexist, affect, cooperate or compete with other orders. Here we show the anisotropic in-plane electronic state and superconductivity in a recently discovered kagome metal CsV3Sb5 by measuring c-axis resistivity with the in-plane rotation of magnetic field. We observe a twofold symmetry of superconductivity in the superconducting state and a unique in-plane nematic electronic state in normal state when rotating the in-plane magnetic field. Interestingly these two orders are orthogonal to each other in terms of the field direction of the minimum resistivity. Our results shed new light in understanding non-trivial physical properties of CsV3Sb5.
Mechanistic principles of an ultra-long bovine CDR reveal strategies for antibody design
Authors: Svilenov Hristo L. , Sacherl Julia , Protzer Ulrike , Zacharias Martin , Buchner Johannes 
Published: November 2021

AbstractAntibodies bind antigens via flexible loops called complementarity-determining regions (CDRs). These are usually 6-20 residues long. However, some bovine antibodies have ultra-long CDRs comprising more than 50 residues organized in a stalk and a disulfide-rich knob. The design features of this structural unit and its influence on antibody stability remained enigmatic. Here, we show that the stalk length is critical for the folding and stability of antibodies with an ultra-long CDR and that the disulfide bonds in the knob do not contribute to stability; they are important for organizing the antigen-binding knob structure. The bovine ultra-long CDR can be integrated into human antibody scaffolds. Furthermore, mini-domains from de novo design can be reformatted as ultra-long CDRs to create unique antibody-based proteins neutralizing SARS-CoV-2 and the Alpha variant of concern with high efficiency. Our findings reveal basic design principles of antibody structure and open new avenues for protein engineering.
Crystal structures of the elusive Rhizobium etli l-asparaginase reveal a peculiar active site
Authors: Loch Joanna I. , Imiolczyk Barbara , Sliwiak Joanna , Wantuch Anna , Bejger Magdalena , Gilski Miroslaw , Jaskolski Mariusz 
Published: November 2021

AbstractRhizobium etli, a nitrogen-fixing bacterial symbiont of legume plants, encodes an essential l-asparaginase (ReAV) with no sequence homology to known enzymes with this activity. High-resolution crystal structures of ReAV show indeed a structurally distinct, dimeric enzyme, with some resemblance to glutaminases and β-lactamases. However, ReAV has no glutaminase or lactamase activity, and at pH 9 its allosteric asparaginase activity is relatively high, with Km for l-Asn at 4.2 mM and kcat of 438 s−1. The active site of ReAV, deduced from structural comparisons and confirmed by mutagenesis experiments, contains a highly specific Zn2+ binding site without a catalytic role. The extensive active site includes residues with unusual chemical properties. There are two Ser-Lys tandems, all connected through a network of H-bonds to the Zn center, and three tightly bound water molecules near Ser48, which clearly indicate the catalytic nucleophile.
Association between Parkinson’s disease and the faecal eukaryotic microbiota
Authors: Weis Severin , Meisner Alexandra , Schwiertz Andreas , Unger Marcus M. , Becker Anouck , Faßbender Klaus , Schnell Sylvia , Schäfer Karl-Herbert , Egert Markus 
Published: November 2021

AbstractParkinson’s disease (PD) is one of the most common neurodegenerative disease, and is so far not considered curable. PD patients suffer from several motor and non-motor symptoms, including gastrointestinal dysfunctions and alterations of the enteric nervous system. Constipation and additional intestinal affections can precede the classical motor symptoms by several years. Recently, we reported effects of PD and related medications on the faecal bacterial community of 34 German PD patients and 25 age-matched controls. Here, we used the same collective and analysed the V6 and V7 hypervariable region of PCR-amplified, eukaryotic 18S rRNA genes using an Illumina MiSeq platform. In all, 53% (18) of the PD samples and 72% (18) of the control samples yielded sufficient amplicons for downstream community analyses. The PD samples showed a significantly lower alpha and a different beta eukaryotic diversity than the controls. Most strikingly, we observed a significantly higher relative abundance of sequence affiliated with theGeotrichumgenus in the PD samples (39.7%), when compared to the control samples (0.05%). In addition, we observed lower relative abundances of sequences affiliated withAspergillus/Penicillium,Charophyta/Linum, unidentified Opisthokonta and three genera of minor abundant zooflagellates in the PD samples. Our data add knowledge to the small body of data about the eukaryotic microbiota of PD patients and suggest a potential association of certain gut eukaryotes and PD.
Spatial distribution and determinants of thyroid cancer incidence from 1999 to 2013 in Korea
Authors: Jang Jieun , Yoo Dae-Sung , Chun Byung Chul 
Published: November 2021

AbstractWe evaluated the spatial variation in thyroid cancer incidence and its determinants in Korea considering its importance in cancer prevention and control. This study was based on the ecological design with cancer incidence data by administrative district from the National Cancer Center and regional characteristics generated from the Korea Community Health Survey Data. We identified spatial clusters of thyroid cancer incidences based on spatial scan statistics. Determinants of regional variation in thyroid cancer incidence were assessed using the Besag-York-Mollie model with integrated nested Laplace approximations. Spatial clusters for low and high thyroid cancer incidences were detected in the northeastern and southwestern regions, respectively. Regional variations in thyroid cancer incidence can be attributed to the prevalence of recipients of basic livelihood security (coefficient, − 1.59; 95% credible interval [CI], − 2.51 to − 0.67), high household income (coefficient, 0.53; 95% CI, 0.31 to 0.76), heavy smoking (coefficient, − 0.91; 95% CI, − 1.59 to − 0.23), thyroid dysfunction (coefficient, 3.24; 95% CI, 1.47 to 5.00), and thyroid cancer screening (coefficient, 0.38; 95% CI, 0.09 to 0.67). This study presented the spatial variations in thyroid cancer incidence, which can be explained by the prevalence of socioeconomic factors, thyroid cancer screening, thyroid dysfunction, and smoking.
A pan-cancer analysis revealing the role of TIGIT in tumor microenvironment
Authors: Wen Jie , Mao Xueyi , Cheng Quan , Liu Zhixiong , Liu Fangkun 
Published: November 2021

AbstractT cell immunoreceptor with immunoglobulin and ITIM domain (TIGIT), an immune checkpoint, plays a pivotal role in immune suppression. However its role in tumor immunity and correlation with the genetic and epigenetic alterations remains unknown. Here, we comprehensively analyzed the expression patterns of the TIGIT and its value of prognostic prediction among 33 types of cancers based on the data collected from The Cancer Genome Atlas (TCGA) and the Genotype-Tissue Expression projects (GTEx). Furthermore, the correlations of TIGIT with pathological stages, tumor-infiltrating immune cells (TIICs), signatures of T cells subtypes, immune checkpoint genes, the degree of Estimation of STromal and Immune cells in MAlignant Tumor tissues using the Expression data (ESTIMATE), tumor mutation burden (TMB), microsatellite instability (MSI), mismatch repair (MMR) genes, and DNA methyltransferases (DNMTs) were also explored. Gene functional enrichment was conducted by Gene Set Enrichment Analysis (GSEA). Our results showed that the expression of TIGIT was upregulated in most of the cancer types. Cox regression model showed that high expression of TIGIT in tumor samples correlates with poor prognosis in KIRC, KIRP, LGG, UVM, and with favorable prognosis in BRCA, CECS, HNSC, SKCM. TIGIT expression positively correlated with advanced stages, TIICs, the signatures of effector T cells, exhausted T cells, effector Tregs and the degree of ESTIMATE in KIRC, KIRP and UVM. TIGIT expression also positively correlated with CTLA4, PDCD1 (PD-1), CD274 (PD-L1), ICOS in most of the cancer types. Furthermore, the expression of TIGIT was correlated with TMB, MSI, MMR genes and DNMTs in different types of cancers. GSEA analysis showed that the expression of TIGIT was related to cytokine-cytokine receptor interaction, allograft rejection, oxidative phosphorylation. These findings suggested that TIGIT could serve as a potential biomarker for prognosis and a novel target for immunotherapies in cancers.
Water-powered self-propelled magnetic nanobot for rapid and highly efficient capture of circulating tumor cells
Authors: Wavhale Ravindra D. , Dhobale Kshama D. , Rahane Chinmay S. , Chate Govind P. , Tawade Bhausaheb V. , Patil Yuvraj N. , Gawade Sandesh S. , Banerjee Shashwat S. 
Published: November 2021

AbstractNanosized robots with self-propelling and navigating capabilities have become an exciting field of research, attributable to their autonomous motion and specific biomolecular interaction ability for bio-analysis and diagnosis. Here, we report magnesium (Mg)-Fe3O4-based Magneto-Fluorescent Nanorobot (“MFN”) that can self-propel in blood without any other additives and can selectively and rapidly isolate cancer cells. The nanobots viz; Mg-Fe3O4-GSH-G4-Cy5-Tf and Mg-Fe3O4-GSH-G4-Cy5-Ab have been designed and synthesized by simple surface modifications and conjugation chemistry to assemble multiple components viz; (i) EpCAM antibody/transferrin, (ii) cyanine 5 NHS (Cy5) dye, (iii) fourth generation (G4) dendrimers for multiple conjugation and (iv) glutathione (GSH) by chemical conjugation onto one side of Mg nanoparticle. The nanobots propelled efficiently not only in simulated biological media, but also in blood samples. With continuous motion upon exposure to water and the presence of Fe3O4 shell on Mg nanoparticle for magnetic guidance, the nanobot offers major improvements in sensitivity, efficiency and speed by greatly enhancing capture of cancer cells. The nanobots showed excellent cancer cell capture efficiency of almost 100% both in serum and whole blood, especially with MCF7 breast cancer cells.
Thresholds in aridity and soil carbon-to-nitrogen ratio govern the accumulation of soil microbial residues
Authors: Hao Zhiguo , Zhao Yunfei , Wang Xia , Wu Jinhong , Jiang Silong , Xiao Jinjin , Wang Kaichang , Zhou Xiaohe , Liu Huiying , Li Jia , Sun Yuxin 
Published: November 2021

AbstractMicrobial moribunds after microbial biomass turnover (microbial residues) contribute to the formation and stabilization of soil carbon pools; however, the factors influencing their accumulation on a global scale remain unclear. Here, we synthesized data for 268 amino sugar concentrations (biomarkers of microbial residues) in grassland and forest ecosystems for meta-analysis. We found that soil organic carbon, soil carbon-to-nitrogen ratio, and aridity index were key factors that predicted microbial residual carbon accumulation. Threshold aridity index and soil carbon-to-nitrogen ratios were identified (~0.768 and ~9.583, respectively), above which microbial residues decreased sharply. The aridity index threshold was associated with the humid climate range. We suggest that the soil carbon-to-nitrogen ratio threshold may coincide with a sharp decrease in fungal abundance. Although dominant factors vary between ecosystem and climate zone, with soil organic carbon and aridity index being important throughout, our findings suggest that climate and soil environment may govern microbial residue accumulation.
C2 weakens the turnover frequency during the melting of FexCy: insights from reactive MD simulations
Authors: Liu Yubing , Lu Kuan , Liu Xingchen , Liu Jinjia , Guo Wen-Ping , Chen Wei , Peng Qing , Song Yu-Fei , Yang Yong , Li Yong-Wang , Wen Xiao-Dong 
Published: November 2021

The carbon accumulation in the form of C2 on the surface at high temperatures blocks the surface catalytic active sites, reducing the activity of melted FexCy nanoparticles.
Mutations in DISC1 alter IP3R and voltage-gated Ca2+ channel functioning, implications for major mental illness
Authors: Rittenhouse Ann R. , Ortiz-Miranda Sonia , Jurczyk Agata 
Published: November 2021

Abstract
Disrupted in Schizophrenia 1 (DISC1) participates in a wide variety of developmental processes of central neurons. It also serves critical roles that underlie cognitive functioning in adult central neurons. Here we summarize DISC1’s general properties and discuss its use as a model system for understanding major mental illnesses (MMIs). We then discuss the cellular actions of DISC1 that involve or regulate Ca2+ signaling in adult central neurons. In particular, we focus on the tethering role DISC1 plays in transporting RNA particles containing Ca2+ channel subunit RNAs, including IP3R1, CACNA1C and CACNA2D1, and in transporting mitochondria into dendritic and axonal processes. We also review DISC1’s role in modulating IP3R1 activity within mitochondria-associated ER membrane (MAM). Finally, we discuss DISC1-glycogen synthase kinase 3β (GSK3β) signaling that regulates functional expression of voltage-gated Ca2+ channels (VGCCs) at central synapses. In each case, DISC1 regulates the movement of molecules that impact Ca2+ signaling in neurons.
A blockchain‐enabled secured fault allocation in smart grids based on μPMUs and UT
Authors: Almutairi Abdulaziz , Alrumayh Omar , Alyami Saeed , Albagami Naif , Hossein Mohamed 
Published: November 2021

AbstractImprovements in the high accuracy of micro‐phasor measurement unit (μPMU) and synchrophasor unit provide the distribution network a special perspective to access full observability in the presence of renewable distribution generations (DGs). In this regard, modelling the uncertainty effects for accurate fault detection in smart grids has become a novel turning point. This research work attempts to develop a novel stochastic architecture based on unscented transform (UT), which requires a very few number of μPMUs, to communicate in a secured blockchain‐enabled structure to allocate and detect the smart grid irregularities and faults. Such a blockchain‐based technique can be beneficial for encrypting the data transmitted among the μPMUs in the smart grid consisting of a variety of distributed energy sources (DERs) and high impedance fault events, while incorporating the uncertainties associated with the load and individual installation sensors. The proposed stochastic structure benefits from voltage measurement and uses its angle in event placement that performs more efficiently than the conventional sensors based on high‐voltage and current metering. The simulation results show the great precision and effectiveness of the proposed model during various fault scenarios in smart grid.
VLTI-MATISSE L- and N-band aperture-synthesis imaging of the unclassified B[e] star FS Canis Majoris
Authors: Hofmann K.-H. , Bensberg A. , Schertl D. , Weigelt G. , Wolf S. , Meilland A. , Millour F. , Waters L. B. F. M. , Kraus S. , Ohnaka K. , Lopez B. , Petrov R. G. , Lagarde S. , Berio Ph. , Allouche F. , Robbe-Dubois S. , Jaffe W. , Henning Th. , Paladini C. , Schöller M. , Mérand A. , Glindemann A. , Beckmann U. , Heininger M. , Bettonvil F. , Zins G. , Woillez J. , Bristow P. , Stee P. , Vakili F. , van Boekel R. , Hogerheijde M. R. , Dominik C. , Augereau J.-C. , Matter A. , Hron J. , Pantin E. , Rivinius Th. , de Wit W.-J. , Varga J. , Klarmann L. , Meisenheimer K. , Gámez Rosas V. , Burtscher L. , Leftley J. , Isbell J. W. , Yoffe G. , Kokoulina E. , Danchi W. C. , Cruzalèbes P. , Domiciano de Souza A. , Drevon J. , Hocdé V. , Kreplin A. , Labadie L. , Connot C. , Nußbaum E. , Lehmitz M. , Antonelli P. , Graser U. , Leinert C. 
Published: November 2021

Context. FS Canis Majoris (FS CMa, HD 45677) is an unclassified B[e] star surrounded by an inclined dust disk. The evolutionary stage of FS CMa is still debated. Perpendicular to the circumstellar disk, a bipolar outflow was detected. Infrared aperture-synthesis imaging provides us with a unique opportunity to study the disk structure.
Aims. Our aim is to study the intensity distribution of the disk of FS CMa in the mid-infrared L and N bands.
Methods. We performed aperture-synthesis imaging of FS CMa with the MATISSE instrument (Multi AperTure mid-Infrared SpectroScopic Experiment) in the low spectral resolution mode to obtain images in the L and N bands. We computed radiative transfer models that reproduce the L- and N-band intensity distributions of the resolved disks.
Results. We present L- and N-band aperture-synthesis images of FS CMa reconstructed in the wavelength bands of 3.4–3.8 and 8.6–9.0 μm. In the L-band image, the inner rim region of an inclined circumstellar disk and the central object can be seen with a spatial resolution of 2.7 milliarcsec (mas). An inner disk cavity with an angular diameter of ~6 × 12 mas is resolved. The L-band disk consists of a bright northwestern (NW) disk region and a much fainter southeastern (SE) region. The images suggest that we are looking at the bright inner wall of the NW disk rim, which is on the far side of the disk. In the N band, only the bright NW disk region is seen. In addition to deriving the inclination and the inner disk radius, fitting the reconstructed brightness distributions via radiative transfer modelling allows one to constrain the innermost disk structure, in particular the shape of theinner disk rim.
In vitro Inhibitory Action of the Essential Oils of Origanum
Vulgare and Rosmarinus Officinalis against Aspergillus
Fumigatus
Authors: Monteiro Antonia Carolina Melo , Drame Aminata Doucoure , Nascimento Francisca Melo , Miranda-Vilela Ana Luisa , Lima Alexandre Vasconcelos , da Silva Mirra Angelina Neres , Ribeiro Ieler Ferreira 
Published: November 2021

Abstract
Aspergillus fumigatus is the main etiological agent of aspergillosis.
Considering azole antifungal drug resistance in A. fumigatus, which
compromises treatment, new alternatives are needed. Among them, essential oils
(EOs) can be an alternative treatment, having shown positive results in
inhibiting phytopathogenic fungi in vitro. We aimed to determine the
in vitro antifungal activity of Origanum vulgare L. subsp.
hirtum (Link) (oregano) and Rosmarinus officinalis L.
(rosemary) EOs alone and in association (O. vulgare+R.
officinalis) against A. fumigatus. EOs were analyzed by gas
chromatography (GC-FID and GC/MS systems), and analyses showed that the
major components of O. vulgare EO were carvacrol (67.8%),
p-cymene (14.8%), and thymol (3.9%); for R. officinalis,
they were the monoterpenes 1,8-cineole (49.1%), camphor (18.1%)
and α-pinene (8.1). For biological assays, five EO concentrations, 0.2;
0.4; 0.6; 0.8 and 1.0%, were used in disk diffusion and agar dilution
tests for 21 days. In disk diffusion, O. vulgare EO alone and in
association (O. vulgare+R. officinalis) showed fungicidal
activity at all concentrations. In agar dilution, inhibitory action was
demonstrated from 0.6% for O. vulgare EO and in association
(O. vulgare+R. officinalis). R. officinalis EO
at 1.0% showed no fungal growth, determining the minimum inhibitory
concentration (MIC). The present study demonstrated inhibitory actions of O.
vulgare and R. officinalis EOs in A. fumigatus. GC
analyses corroborated the literature regarding their antibacterial and
antifungal effects. However, further in vitro and in vivo studies
are needed to evaluate EOs as alternative antifungals for treating
aspergillosis.
Development of a Standardized Semantic Feature-Based Reporting
Proforma for Intraoperative Ultrasound Findings in Brain Tumors and Application
in High-Grade Gliomas – A Preliminary Study
Authors: Shetty Prakash , Singh Vikas Kumar , Choudhari Amit , Moiyadi Aliasgar V 
Published: November 2021

Abstract
Purpose A semantic feature-based reporting proforma for intraoperative
ultrasound findings in brain tumors was devised to standardize reporting. It was
applied as a pilot study on a cohort of histologically confirmed high-grade
supratentorial gliomas (Grade 3 and 4) for internal validation.
Materials and Methods This intraoperative semantic ultrasound proforma was
used to evaluate 3D ultrasound volumes using Radiant DICOM software by 3
surgeons. The ultrasound semantic features were correlated with histological
features like tumor grade, IDH status, and MIB index.
Results 68 patients were analyzed using the semantic proforma. Irregular
crenated was the most common margin (63.2%) and lesions were
heterogeneously hyperechoic (95.6%). Necrosis was commonly seen and
noted as single (67.6%) or multiple (13.2%) in over 80%
cases. A separate perilesional zone, which was predominantly hyperechoic in
41.8% and both hypo and hyperechoic in 12.7%, could be
identified in 54.5% of cases. Grade 4 tumors were more likely to have an
irregular crenated margin (71.2%) with a single large area of necrosis,
while Grade 3 tumors were likely to have smooth (31.3%) or
non-characterizable margins (31.2%) with no or multiple areas of
necrosis. IDH-negative tumors were more likely to have a single large focus of
necrosis. Among the GBMs (52 cases), MIB labelling index of>15%
was associated with poorly delineated, uncharacterizable margins, when compared
with MIB labelling index<15% (23.5 vs. 0%),
(p=0.046).
Conclusion A detailed semantic proforma was developed for brain tumors and
was internally validated. A few ultrasound sematic features were identified
correlating with histological features in high-grade gliomas. It will require
further external validation for refinement and acceptability.