bluuebunny/crossref_metadata_2025 huggingface dataset:
Diffusion of lithium ions in Lithium-argyrodite solid-state electrolytes
Authors: Baktash Ardeshir , Reid James C. , Roman Tanglaw , Searles Debra J.
Published: October 2020

The use of solid-state electrolytes to provide safer, next-generation rechargeable batteries is becoming more feasible as materials with greater stability and higher ionic diffusion coefficients are designed. However, accurate determination of diffusion coefficients in solids is problematic and reliable calculations are highly sought-after to understand how their structure can be modified to improve their performance. In this paper we compare diffusion coefficients calculated using nonequilibrium and equilibrium ab initio molecular dynamics simulations for highly diffusive solid-state electrolytes, to demonstrate the accuracy that can be obtained. Moreover, we show that ab initio nonequilibrium molecular dynamics can be used to determine diffusion coefficients when the diffusion is too slow for it to be feasible to obtain them using ab initio equilibrium simulations. Thereby, using ab initio nonequilibrium molecular dynamics simulations we are able to obtain accurate estimates of the diffusion coefficients of Li ions in Li6PS5Cl and Li5PS4Cl2, two promising electrolytes for all-solid-state batteries. Furthermore, these calculations show that the diffusion coefficient of lithium ions in Li5PS4Cl2 is higher than many other potential all-solid-state electrolytes, making it promising for future technologies. The reasons for variation in conductivities determined using computational and experimental methods are discussed. It is demonstrated that small degrees of disorder and vacancies can result in orders of magnitude differences in diffusivities of Li ions in Li6PS5Cl, and these factors are likely to contribute to inconsistencies observed in experimentally reported values. Notably, the introduction of Li-vacancies and disorder can enhance the ionic conductivity of Li6PS5Cl.
Towards the standardization of quantum state verification using optimal strategies
Authors: Jiang Xinhe , Wang Kun , Qian Kaiyi , Chen Zhaozhong , Chen Zhiyu , Lu Liangliang , Xia Lijun , Song Fangmin , Zhu Shining , Ma Xiaosong
Published: October 2020

Quantum devices for generating entangled states have been extensively studied and widely used. As so, it becomes necessary to verify that these devices truly work reliably and efficiently as they are specified. Here we experimentally realize the recently proposed two-qubit entangled state verification strategies using both local measurements (nonadaptive) and active feed-forward operations (adaptive) with a photonic platform. About 3283/536 number of copies (N) are required to achieve a 99% confidence to verify the target quantum state for nonadaptive/adaptive strategies. These optimal strategies provide the Heisenberg scaling of the infidelity $${\it{\epsilon }}$$
ϵ
as a function of N ($${\it{\epsilon }}\sim N^{r}$$

ϵ
~

N

r

) with the parameter r = −1, exceeding the standard quantum limit with r = −0.5. We experimentally obtain the scaling parameters of r = −0.88 ± 0.03 and −0.78 ± 0.07 for nonadaptive and adaptive strategies, respectively. Our experimental work could serve as a standardized procedure for the verification of quantum states.
Very low overhead fault-tolerant magic state preparation using redundant ancilla encoding and flag qubits
Authors: Chamberland Christopher , Noh Kyungjoo
Published: October 2020

Fault-tolerant quantum computing promises significant computational speedup over classical computing for a variety of important problems. One of the biggest challenges for realizing fault-tolerant quantum computing is preparing magic states with sufficiently low error rates. Magic state distillation is one of the most efficient schemes for preparing high-quality magic states. However, since magic state distillation circuits are not fault-tolerant, all the operations in the distillation circuits must be encoded in a large distance error-correcting code, resulting in a significant resource overhead. Here, we propose a fault-tolerant scheme for directly preparing high-quality magic states, which makes magic state distillation unnecessary. In particular, we introduce a concept that we call redundant ancilla encoding. The latter combined with flag qubits allows for circuits to both measure stabilizer generators of some code, while also being able to measure global operators to fault-tolerantly prepare magic states, all using nearest neighbor interactions. We apply such schemes to a planar architecture of the triangular color code family and demonstrate that our scheme requires at least an order of magnitude fewer qubits and space–time overhead compared to the most competitive magic state distillation schemes. Since our scheme requires only nearest-neighbor interactions in a planar architecture, it is suitable for various quantum computing platforms currently under development.
Energy band alignment at the heterointerface between CdS and Ag-alloyed CZTS
Authors: Gansukh Mungunshagai , Li Zheshen , Rodriguez Moises Espindola , Engberg Sara , Martinho Filipe Mesquita Alves , Mariño Simon López , Stamate Eugen , Schou Jørgen , Hansen Ole , Canulescu Stela
Published: October 2020

Energy band alignment at the heterointerface between CdS and kesterite Cu2ZnSnS4 (CZTS) and its alloys plays a crucial role in determining the efficiency of the solar cells. Whereas Ag alloying of CZTS has been shown to reduce anti-site defects in the bulk and thus rise the efficiency, the electronic properties at the interface with the CdS buffer layer have not been extensively investigated. In this work, we present a detailed study on the band alignment between n-CdS and p-CZTS upon Ag alloying by depth-profiling ultraviolet photoelectron spectroscopy (UPS) and X-ray photoelectron spectroscopy (XPS). Our findings indicate that core-level peaks and the valence band edge of CdS exhibit a significant shift to a lower energy (larger than 0.4 eV) upon the etching of the CdS layer, which can be assigned due to band bending and chemical shift induced by a change in the chemical composition across the interface. Using a simplified model based on charge depletion layer conservation, a significantly larger total charge region depletion width was determined in Ag-alloyed CZTS as compared to its undoped counterpart. Our findings reveal a cliff-like band alignment at both CdS/CZTS and CdS/Ag-CZTS heterointerfaces. However, the conduction-band offset decreases by more than 0.1 eV upon Ag alloying of CZTS. The approach demonstrated here enables nanometer-scale depth profiling of the electronic structure of the p–n junction and can be universally applied to study entirely new platforms of oxide/chalcogenide heterostructures for next-generation optoelectronic devices.
Transition from a uni- to a bimodal interfacial charge distribution in $$\hbox {LaAlO}_3$$/$$\hbox {SrTiO}_3$$ upon cooling
Authors: Zwiebler M. , Di Gennaro E. , Hamann-Borrero J. E. , Ritschel T. , Green R. J. , Sawatzky G. A. , Schierle E. , Weschke E. , Leo A. , Granozio F. Miletto , Geck J.
Published: October 2020

We present a combined resonant soft X-ray reflectivity and electric transport study of $$\hbox {LaAlO}_3$$

LaAlO
3

/$$\hbox {SrTiO}_3$$

SrTiO
3

 field effect devices. The depth profiles with atomic layer resolution that are obtained from the resonant reflectivity reveal a pronounced temperature dependence of the two-dimensional electron liquid at the $$\hbox {LaAlO}_3$$

LaAlO
3

/$$\hbox {SrTiO}_3$$

SrTiO
3

 interface. At room temperature the corresponding electrons are located close to the interface, extending down to 4 unit cells into the $$\hbox {SrTiO}_3$$

SrTiO
3

 substrate. Upon cooling, however, these interface electrons assume a bimodal depth distribution: They spread out deeper into the $$\hbox {SrTiO}_3$$

SrTiO
3

 and split into two distinct parts, namely one close to the interface with a thickness of about 4 unit cells and another centered around 9 unit cells from the interface. The results are consistent with theoretical predictions based on oxygen vacancies at the surface of the $$\hbox {LaAlO}_3$$

LaAlO
3

 film and support the notion of a complex interplay between structural and electronic degrees of freedom.
Reliability of quantitative transverse relaxation time mapping with $${\text{T}}_{{2}}$$-prepared whole brain pCASL
Authors: Schidlowski Martin , Stirnberg Rüdiger , Stöcker Tony , Rüber Theodor
Published: October 2020

Arterial spin labeling (ASL) is increasingly applied for cerebral blood flow mapping, but $${\text{T}}_{{2}}$$

T
2

relaxation of the ASL signal magnetization is often ignored, although it may be clinically relevant. To investigate the extent, to which quantitative $${\text{T}}_{{2}}$$

T
2

values in gray matter (GM) obtained by pseudocontinuous ASL (pCASL) perfusion MRI can be reproduced, are reliable and a potential neuroscientific biomarker, a prospective study was performed with ten healthy volunteers (5F,28 ± 3y) at a 3 T scanner. A $${\text{T}}_{{2}}$$

T
2

-prepared pCASL sequence enabled the measurement of quantitative $${\text{T}}_{{2}}$$

T
2

and perfusion maps. $${\text{T}}_{{2}}$$

T
2

times were modeled per voxel and analyzed within four GM-regions-of-interest (ROI). The intraclass correlation coefficients (ICCs) of the quantified ASL-$${\text{T}}_{{2}}$$

T
2

varied across brain regions. When averaged across subjects and postlabeling delays (PLDs), the ICCs ranged from reasonable values in parietal regions (ICC = 0.56) to smaller values in frontal regions (ICC = 0.36). Corresponding subject-averaged within-subject coefficients of variation (WSCVs) showed good test–retest measurement precision ($${\text{WSCV}}_{{{\text{PLD}}}} \le 0.14$$

WSCV
PLD

≤
0.14

for all PLDs), but more pronounced inter-subject variance. Reliability and precision of quantified ASL-$${\text{T}}_{{2}}$$

T
2

were region-, PLD- and subject-specific, showing fair to robust results in occipital, parietal and temporal ROIs. The results give rise to consider the method for future cerebral studies, where variable perfusion or altered $${\text{T}}_{{2}}$$

T
2

times are suspected.
Migration-induced transition in social structures: a view through the Sakoda model of social interactions
Authors: Goles Eric , Mascareño Aldo , Medina Pablo , Rica Sergio
Published: October 2020

We study the dynamics of three populations evolving in a two-dimensional discrete grid according to rules of attraction, rejection, or indifference following the framework of the seminal model by Sakoda and we apply it to migration phenomena. An interesting feature of the Sakoda model is the existence of a Potts-like energy which, as a common principle, decreases as time passes by. Here we consider the evolution of two populations until stabilization, then, we perturb this attractor by the inclusion of a third arrival: the immigrants. We show the conditions under which this irruption does not alter significantly the previous attractor (a sociological morphostatic behaviour) or it is dramatically changed (morphogenetic behaviour). We observe empirically that for a morphostatic behaviour the energy decreases while for morphogenesis this energy increases, revealing an escalation of social tension.
Pancreatic duct ligation reduces premalignant pancreatic lesions in a Kras model of pancreatic adenocarcinoma in mice
Authors: Cáceres Marta , Quesada Rita , Iglesias Mar , Real Francisco X. , Villamonte Maria , de Villarreal Jaime Martinez , Pérez Mónica , Andaluz Ana , Moll Xavier , Berjano Enrique , Dorcaratto Dimitri , Sánchez-Velázquez Patricia , Grande Luís , Burdío Fernando
Published: October 2020

Pancreatic duct ligation (PDL) in the murine model has been described as an exocrine pancreatic atrophy-inducing procedure. However, its influence has scarcely been described on premalignant lesions. This study describes the histological changes of premalignant lesions and the gene expression in a well-defined model of pancreatic ductal adenocarcinoma by PDL. Selective ligation of the splenic lobe of the pancreas was performed in Ptf1a-Cre(+/ki); K-ras LSLG12Vgeo(+/ki) mice (PDL-Kras mice). Three experimental groups were evaluated: PDL group, controls and shams. The presence and number of premalignant lesions (PanIN 1–3 and Atypical Flat Lesions—AFL) in proximal (PP) and distal (DP) pancreas were studied for each group over time. Microarray analysis was performed to find differentially expressed genes (DEG) between PP and PD. Clinical human specimens after pancreaticoduodenectomy with ductal occlusion were also evaluated. PDL-Kras mice showed an intense pattern of atrophy in DP which was shrunk to a minimal portion of tissue. Mice in control and sham groups had a 7 and 10-time increase respectively of risk of high-grade PanIN 2 and 3 and AFL in their DP than PDL-Kras mice. Furthermore, PDL-Kras mice had significantly less PanIN 1 and 2 and AFL lesions in DP compared to PP. We identified 38 DEGs comparing PP and PD. Among them, several mapped to protein secretion and digestion while others such as Nupr1 have been previously associated with PanIN and PDAC. PDL in Ptf1a-Cre(+/ki); K-ras LSLG12Vgeo(+/ki) mice induces a decrease in the presence of premalignant lesions in the ligated DP. This could be a potential line of research of interest in some cancerous risk patients.
Gene expression analysis in formalin fixed paraffin embedded melanomas is associated with density of corresponding immune cells in those tissues
Authors: Kwak Minyoung , Erdag Gulsun , Slingluff Craig L.
Published: October 2020

Immune cell infiltrates in melanoma have important prognostic value. Gene expression analysis may simultaneously quantify numbers and function of multiple immune cell subtypes in formalin-fixed paraffin-embedded (FFPE) tissues. Prior studies report single gene expression can represent individual immune cell subtypes, but this has not been shown in FFPE melanomas. We hypothesized that gene expression profiling of human melanomas using a new RNA expression technology in FFPE tissue would correlate with the same immune cells identified by immunohistochemistry (IHC). This retrospective study included melanoma specimens analyzed by IHC on tumor tissue microarray (TMA) cores and by gene expression profiling with EdgeSeq Immuno-Oncology Assay using qNPA technology on the corresponding tumors. Standardized gene expression levels were analyzed relative to enumerated cells by IHC using Spearman rank test to calculate r-values. Multivariate analysis was performed by Kruskal–Wallis test. 119 melanoma specimens had both IHC and gene expression information available. There were significant associations between the level of gene expression and its quantified IHC cell marker for CD45+, CD3+, CD8+, CD4+, and CD20+cells (allp < 0.001). There were also significant associations with exhaustion markers FoxP3+, PD-1+, and PD-L1+(allp ≤ 0.0001). This new qNPA technology is useful to quantify intratumoral immune cells on FFPE specimens through RNA gene expression in metastatic melanoma. As previous studies have shown on other solid human tumors, we also confirm that the expression level of a single gene may be used to represent a single IHC immune cell marker in melanoma.
Bi2WO6–BiOCl heterostructure with enhanced photocatalytic activity for efficient degradation of oxytetracycline
Authors: Guo Mengfan , Zhou Zhaobo , Yan Shengnan , Zhou Pengfei , Miao Feng , Liang Shijun , Wang Jinlan , Cui Xinyi
Published: October 2020

The application of BiOCl in photocatalysis has been restricted by its low utilization of solar energy and fast recombination of charge carriers. In this study, zero-dimensional (0D) Bi2WO6 nanoparticles/two-dimensional (2D) layered BiOCl heterojunction composite was successfully constructed by facile hydrothermal and solvothermal methods. The most favorable sunlight photocatalytic activity was achieved for the as-prepared Bi2WO6–BiOCl composites with a ratio of 1%. The photocatalytic rate and mineralization efficiency of one typical antibiotic (i.e., oxytetracycline) over 1% Bi2WO6–BiOCl was about 2.7 and 5.3 times as high as that of BiOCl. Both experimental characterizations and density functional theory (DFT) calculations confirmed that the excellent photocatalytic performance mainly arised from the effective charge separation along the Bi2WO6 and BiOCl heterojunction interface. The effective electron transfer was driven by the internal electric field at the interfacial junction. In addition, 1% Bi2WO6–BiOCl exhibited excellent stability, and no apparent deactivation was observed after 4 test cycles. Therefore, the 0D/2D Bi2WO6–BiOCl heterojunction showed a great potential for the photocatalytic degradation of emerging organic pollutants.
Integrin alpha V (ITGAV) expression in esophageal adenocarcinoma is associated with shortened overall-survival
Authors: Loeser Heike , Scholz Matthias , Fuchs Hans , Essakly Ahlem , Damanakis Alexander Iannos , Zander Thomas , Büttner Reinhard , Schröder Wolfgang , Bruns Christiane , Quaas Alexander , Gebauer Florian
Published: October 2020

Valid biomarkers for a better prognostic prediction of the clinical course in esophageal adenocarcinoma (EAC) are still not implemented. Integrin alpha V (ITGAV), a transmembrane glycoprotein responsible for cell-to-matrix binding has been found to enhance tumor progression in several tumor entities. The expression pattern and biological role of ITGAV expression in esophageal adenocarcinoma (EAC) has not been analyzed so far. Aim of the study is to evaluate the expression level of ITGAV in a very large collective of EAC and its impact on individual patients´ prognosis. 585 patients with esophageal adenocarcinoma were analyzed immunohistochemically for ITGAV. The data was correlated with clinical, pathological and molecular data (TP53, HER2/neu, c-myc, GATA6, PIK3CA and KRAS). A total of 85 patients (14.3%) out of 585 analyzable tumors showed an ITGAV expression and intratumoral heterogeneity was low. ITGAV expression was correlated with a shortened overall-survival in the patients´ group that underwent primary surgery (p = 0.014) but not in the group of patients that received neoadjuvant treatment before surgery. No correlation between any of the analyzed molecular marker (mutations or amplifications) (TP53, HER2, c-myc, GATA6, PIK3CA and KRAS) and ITGAV expression could be observed. A multivariate cox-regression model was performed which showed tumor stage, lymph node metastasis and ITGAV expression as independent prognostic markers for overall-survival in the group of patients without neoadjuvant treatment. ITGAV expression is correlated with an impaired patient outcome in the group of patients without neoadjuvant therapy and serves as a prognostic factor in EAC.
A nanocomposite hydrogel with catalytic properties for trace-element detection in real-world samples
Authors: Bertolacci Laura , Valentini Paola , Pompa Pier Paolo
Published: October 2020

A nanocomposite material characterized by peroxidase-like properties was developed through the dispersion of platinum nanoparticles (PtNPs) inside a hydrogelic matrix. The integration of the PtNP catalysts within the matrix resulted in their stabilization, preventing aggregation and precipitation in media of environmental interest, characterized by high ionic strength and by the presence of organic solutes. A thorough optimization of the matrix design was aimed at granting optimal diffusion of the reagents, in order to maintain the efficiency of the catalytic action. Such combined features allowed the implementation and prototyping of a colorimetric method for the detection of mercury in environmental water samples. The assay was based on a chromogenic reaction catalyzed by the peroxidase-like activity of PtNPs and its specific inhibition caused by trace amounts of mercury.
Stressor-induced ecdysis and thecate cyst formation in the armoured dinoflagellates Prorocentrum cordatum
Authors: Matantseva Olga , Berdieva Mariia , Kalinina Vera , Pozdnyakov Ilya , Pechkovskaya Sofia , Skarlato Sergei
Published: October 2020

Ecdysis, the process of extensive cell covering rearrangement, represents a remarkable physiological trait of dinoflagellates. It is involved in the regulation of the population and bloom dynamics of these microorganisms, since it is required for the formation of their thin-walled cysts. This study presents laboratory data on ecdysis in Prorocentrum cordatum, a harmful dinoflagellate species of high environmental significance. We studied external stressors triggering this process and changes in the cell ultrastructure accompanying it. Our experiments showed that mass ecdysis and formation of cysts in P. cordatum could be induced by centrifugation, temperature decrease, changes in salinity, and treatment by 2,6-dichlorobenzonitrile, whereas temperature increase, changes in pH and treatment by tetracycline did not have this effect. Obtained cysts of P. cordatum did not contain the pellicular layer and were formed in the end of the first stage of this process, i.e. removal of the plasma membrane and the outer amphiesmal vesicle membrane, whereas its second stage, removal of theca, represented excystment. Based on our findings, we conclude that such cysts can be attributed to thecate cysts and suggest P. cordatum as a promising model organism for the investigation of cellular and molecular aspects of ecdysis in dinoflagellates.
Robustness and capabilities of ultrashort laser pulses characterization with amplitude swing
Authors: Sola Íñigo J. , Alonso Benjamín
Published: October 2020

In this work we firstly study the influence of different parameters in the temporal characterization of ultrashort laser pulses with the recently developed amplitude swing technique. In this technique, the relative amplitude of two delayed replicas is varied while measuring their second-harmonic spectra. Here we study the retrieval of noisy traces and the implications of having different delays or phase retardations (relative phases) between the two replicas. Then, we study the capability of the technique to characterize the pulses when the second-harmonic signal is spectrally uncalibrated or incomplete, presenting the analytical calculation of the marginal, which is used to calibrate the traces and to perform the pulse retrievals. We experimentally show the retrieval of different pulses using diverse delays and phase retardations to perform the amplitude swing trace and demonstrate that, from an uncalibrated trace, both the pulse information and the response of the nonlinear process can be simultaneously retrieved. In sum, the amplitude swing technique is shown to be very robust against experimental constraints and limitations, showing a high degree of soundness.
Current NAFLD guidelines for risk stratification in diabetic patients have poor diagnostic discrimination
Authors: Blank Valentin , Petroff David , Beer Sebastian , Böhlig Albrecht , Heni Maria , Berg Thomas , Bausback Yvonne , Dietrich Arne , Tönjes Anke , Hollenbach Marcus , Blüher Matthias , Keim Volker , Wiegand Johannes , Karlas Thomas
Published: October 2020

Patients with type 2 diabetes (T2D) are at risk for non-alcoholic fatty liver disease (NAFLD) and associated complications. This study evaluated the performance of international (EASL-EASD-EASO) and national (DGVS) guidelines for NAFLD risk stratification. Patients with T2D prospectively underwent ultrasound, liver stiffness measurement (LSM) and serum-based fibrosis markers. Guideline-based risk classification and referral rates for different screening approaches were compared and the diagnostic properties of simplified algorithms, genetic markers and a new NASH surrogate (FAST score) were evaluated. NAFLD risk was present in 184 of 204 screened patients (age 64.2 ± 10.7 years; BMI 32.6 ± 7.6 kg/m2). EASL-EASD-EASO recommended specialist referral for 60–77% depending on the fibrosis score used, only 6% were classified as low risk. The DGVS algorithm required LSM for 76%; 25% were referred for specialised care. The sensitivities of the diagnostic pathways were 47–96%. A simplified referral strategy revealed a sensitivity/specificity of 46/88% for fibrosis risk. Application of the FAST score reduced the referral rate to 35%. This study (a) underlines the high prevalence of fibrosis risk in T2D, (b) demonstrates very high referral rates for in-depth hepatological work-up, and (c) indicates that simpler referral algorithms may produce comparably good results and could facilitate NAFLD screening.
A conceptual change in crystallisation mechanisms of oxide materials from solutions in closed systems
Authors: Padmanabhan Sibu C. , Collins Timothy W. , Pillai Suresh C. , McCormack Declan E. , Kelly John M. , Holmes Justin D. , Morris Michael A.
Published: October 2020

Atomic and molecular level interactions in solutions dictate the structural and functional attributes of crystals. These features clearly dictate the properties of materials and their applicability in technologies. However, the microscopic phenomena of particle formation—nucleation and growth—in real systems are still not fully understood. Specifically, crystallisation occurring in closed systems are largely unproven. Combining coherent experimental data, we here demonstrate a fundamental nucleation-growth mechanism that occurs in a model zinc oxide system when particles are formed under continuous, rapid heating under closed reaction conditions. Defying all previous reports, we show that the nucleation commences only when the heating is terminated. A prenucleation clusters pathway is observed for nucleation, followed by crystallite assembly-growth. We show that the nucleation-growth processes result from temporal and dynamic activity of constituent ions and gaseous molecules in solution and by the irreversible expulsion of the dissolved gaseous molecules. We suggest that this nucleation process is generic to most closed systems that go through precipitation, and, therefore, important for the crystallisation of a variety of metal oxides, composites and minerals. We anticipate that the work may be a platform for future experimental and theoretical investigation promoting deeper understanding of the nucleation-growth phenomena of a variety of practical systems.
Association between noninvasive assessment of liver fibrosis and coronary artery calcification progression in patients with nonalcoholic fatty liver disease
Authors: Lee Jiwoo , Kim Hwi Seung , Cho Yun Kyung , Kim Eun Hee , Lee Min Jung , Bae In Yong , Jung Chang Hee , Park Joong-Yeol , Kim Hong-Kyu , Lee Woo Je
Published: October 2020

Advanced liver fibrosis and coronary artery calcification (CAC) progression has been reported to correlate with cardiovascular disease. This study investigated the association between noninvasive liver fibrosis score and CAC progression in patients with nonalcoholic fatty liver disease (NAFLD). We included 1173 asymptomatic adults with CAC scores from 2007–2013. CAC progression was defined as newly incident CAC or a ≥ 2.5-unit increase in the final CAC score square root. Liver fibrosis was assessed using fibrosis-4 index (FIB-4) score and NAFLD fibrosis score (NFS). A total of 293 (25.0%) subjects developed CAC. Mean baseline FIB-4 score was significantly higher in subjects with CAC. CAC progressed in 20.5% of subjects without NAFLD, 27.5% of those with NAFLD and low FIB-4 scores, and 35.9% of those with NAFLD and intermediate/high FIB-4 scores. On multivariate logistic regression analysis, the odds ratio for CAC progression was 1.70 (95% confidence interval, 1.12–2.58) for subjects with NAFLD plus intermediate/high FIB-4 scores versus those without NAFLD. In the sensitivity analysis, the odds ratio for CAC progression was 1.57 (95% confidence interval, 1.02–2.44) for subjects with NAFLD plus an intermediate/high NFS versus those without NAFLD. Advanced liver fibrosis stage assessed using noninvasive markers is associated with a higher risk of CAC progression in subjects with NAFLD.
The effect of pamidronate delivery in bisphosphonate-naïve patients on neutrophil chemotaxis and oxidative burst
Authors: Chadwick Jeffrey W. , Tenenbaum Howard C. , Sun Chun-Xiang , Wood Robert E. , Glogauer Michael
Published: October 2020

The pathogenesis of medication-related osteonecrosis of the jaw (MRONJ), a morbid condition associated with bisphosphonate administration, has not been fully elucidated. Recent research utilizing a murine model has revealed that the neutrophil becomes dysfunctional following exposure to bisphosphonates. Accordingly, the impairment of neutrophil function could play an important role in the pathogenesis of MRONJ via an infectious mechanism mediated by the suppression of the innate immune system. Currently, the existing human data are insufficient to substantiate this theory. To investigate, we isolated neutrophils from blood and oral rinse samples from bisphosphonate-naïve patients who were recently diagnosed with multiple myeloma both prior to and one month following their initial infusion of pamidronate, an intravenous bisphosphonate agent. Stimulated blood and oral neutrophil superoxide production and chemotactic capabilities were found to be impaired relative to baseline values. These results suggest that impaired neutrophil function may partially contribute to the aetiology underlying the pathophysiological processes linked to the development of MRONJ. Further, as the functional status of circulating neutrophils was reflected in the oral cavity where sampling can be accomplished in a non-invasive fashion, it is conceivable that neutrophil function could serve as a potential biomarker for MRONJ prognostication.
SARS-Cov-2 trajectory predictions and scenario simulations from a global perspective: a modelling study
Authors: Yang Tianan , Liu Yexin , Deng Wenhao , Zhao Weigang , Deng Jianwei
Published: October 2020

The coronavirus SARS-CoV-2 emerging from Wuhan, China has developed into a global epidemic. Here, we combine both human mobility and non-pharmaceutical interventions (social-distancing and suspected-cases isolation) into SEIR transmission model to understand how coronavirus transmits in a global environment. Dynamic trends of region-specific time-variant reproduction number, social-distancing rate, work-resumption rate, and suspected-cases isolation rate have been estimated and plotted for each region by fitting stochastic transmission processes to the real total confirmed cases reported of each region. We find after shutdown in Wuhan, the reproduction number in Wuhan greatly declined from 6·982 (95% CI 2·558–14·668) on January 23rd, 2020 to 1.130 (95% CI 0.289–3.279) on February 7th, 2020, and there was a higher intervention level in terms of social-distancing and suspected-cases isolation in Wuhan than the Chinese average and Western average, for the period from the shutdown in Wuhan to mid-March. Future epidemic trajectories of Western countries up to October 10th, 2020, have been predicted with 95% confidence intervals. Through the scenario simulation, we discover the benefits of earlier international travel ban and rigorous intervention strategies, and the significance of non-pharmaceutical interventions. From a global perspective, it is vital for each country to control the risks of imported cases, and execute rigorous non-pharmaceutical interventions before successful vaccination development.
Defining the structural basis for human leukocyte antigen reactivity in clinical transplantation
Authors: Gu Yue , Koh Robynne W. K. , Lai May Ling , Pochinco Denise , Teo Rachel Z. C. , Chan Marieta , Murali Tanusya M. , Liew Chong Wai , Wong Yee Hwa , Gascoigne Nicholas R. J. , Wood Kathryn J. , Lescar Julien , Nickerson Peter , MacAry Paul A. , Vathsala Anantharaman
Published: October 2020

The current state-of-the-art technology employed to assess anti-human leukocyte antigen antibodies (Anti-HLA Ab) for donor-recipient matching and patient risk stratification in renal transplantation is the single antigen bead (SAB) assay. However, there are limitations to the SAB assay as it is not quantitative and due to variations in techniques and reagents, there is no standardization across laboratories. In this study, a structurally-defined human monoclonal alloantibody was employed to provide a mechanistic explanation for how fundamental alloantibody biology influences the readout from the SAB assay. Performance of the clinical SAB assay was evaluated by altering Anti-HLA Ab concentration, subclass, and detection reagents. Tests were conducted in parallel by two internationally accredited laboratories using standardized protocols and reagents. We show that alloantibody concentration, subclass, laboratory-specific detection devices, subclass-specific detection reagents all contribute to a significant degree of variation in the readout. We report a significant prozone effect affecting HLA alleles that are bound strongly by the test alloantibody as opposed to those bound weakly and this phenomenon is independent of complement. These data highlight the importance for establishing international standards for SAB assay calibration and have significant implications for our understanding of discordance in previous studies that have analyzed its clinical relevance.
NKCC-1 mediated Cl− uptake in immature CA3 pyramidal neurons is sufficient to compensate phasic GABAergic inputs
Authors: Kolbaev Sergey N. , Mohapatra Namrata , Chen Rongqing , Lombardi Aniello , Staiger Jochen F. , Luhmann Heiko J. , Jedlicka Peter , Kilb Werner
Published: October 2020

Activation of GABAAreceptors causes in immature neurons a functionally relevant decrease in the intracellular Cl−concentration ([Cl−]i), a process termed ionic plasticity. Amount and duration of ionic plasticity depends on kinetic properties of [Cl−]ihomeostasis. In order to characterize the capacity of Cl−accumulation and to quantify the effect of persistent GABAergic activity on [Cl−]i, we performed gramicidin-perforated patch-clamp recordings from CA3 pyramidal neurons of immature (postnatal day 4–7) rat hippocampal slices. These experiments revealed that inhibition of NKCC1 decreased [Cl−]itoward passive distribution with a time constant of 381 s. In contrast, active Cl− accumulation occurred with a time constant of 155 s, corresponding to a rate of 15.4 µM/s. Inhibition of phasic GABAergic activity had no significant effect on steady state [Cl−]i. Inhibition of tonic GABAergic currents induced a significant [Cl−]iincrease by 1.6 mM, while activation of tonic extrasynaptic GABAAreceptors with THIP significantly reduced [Cl−]i.. Simulations of neuronal [Cl−]ihomeostasis supported the observation, that basal levels of synaptic GABAergic activation do not affect [Cl−]i. In summary, these results indicate that active Cl−-uptake in immature hippocampal neurons is sufficient to maintain stable [Cl−]iat basal levels of phasic and to some extent also to compensate tonic GABAergic activity.
Temperature dependence of the dielectric function and critical points of α-SnS from 27 to 350 K
Authors: Nguyen Hoang Tung , Le Van Long , Nguyen Thi Minh Hai , Kim Tae Jung , Nguyen Xuan Au , Kim Bogyu , Kim Kyujin , Lee Wonjun , Cho Sunglae , Kim Young Dong
Published: October 2020

We report the temperature dependence of the dielectric function ε = ε1 + iε2 and critical point (CP) energies of biaxial α-SnS in the spectral energy region from 0.74 to 6.42 eV and temperatures from 27 to 350 K using spectroscopic ellipsometry. Bulk SnS was grown by temperature gradient method. Dielectric response functions were obtained using multilayer calculations to remove artifacts due to surface roughness. We observe sharpening and blue-shifting of CPs with decreasing temperature. A strong exciton effect is detected only in the armchair direction at low temperature. New CPs are observed at low temperature that cannot be detected at room temperature. The temperature dependences of the CP energies were determined by fitting the data to the phenomenological expression that contains the Bose–Einstein statistical factor and the temperature coefficient for describing the electron–phonon interaction.
Towards isolated attosecond electron bunches using ultrashort-pulse laser-solid interactions
Authors: Lin Jinpu , Batson Thomas , Nees John , Thomas Alexander G. R. , Krushelnick Karl
Published: October 2020

We investigate MeV-level attosecond electron bunches from ultrashort-pulse laser-solid interactions through similarities between experimental and simulated electron energy spectra. We show measurements of the bunch duration and temporal structure from particle-in-cell simulations. The experimental observation of such bunches favors specular reflection direction when focusing the laser pulse onto a subwavelength boundary of thick overdense plasmas at grazing incidence. Particle-in-cell simulation further reveals that the attosecond duration is a result of ultra-thin ($$\sim $$
∼
tenth of a micron) gaps of zero electromagnetic energy density in the modulated reflected radiation, while the bunching (locally peaked electron concentration) comes from the highly-directional electron angular distribution acquired by the electrons in a grazing incidence setup. To isolate a single electron bunch, we perform simulations using 1-cycle laser pulses and analyze the effect of carrier-envelop phase with particle tracking. The duration of the electron bunch can be further decreased by increasing the laser intensity and the focal spot size, while its direction can be changed by tuning the preplasma density gradient.
Cyclocreatine treatment ameliorates the cognitive, autistic and epileptic phenotype in a mouse model of Creatine Transporter Deficiency
Authors: Cacciante Francesco , Gennaro Mariangela , Sagona Giulia , Mazziotti Raffaele , Lupori Leonardo , Cerri Elisa , Putignano Elena , Butt Mark , Do Minh-Ha T. , McKew John C. , Alessandrì Maria Grazia , Battini Roberta , Cioni Giovanni , Pizzorusso Tommaso , Baroncelli Laura
Published: October 2020

Creatine Transporter Deficiency (CTD) is an inborn error of metabolism presenting with intellectual disability, behavioral disturbances and epilepsy. There is currently no cure for this disorder. Here, we employed novel biomarkers for monitoring brain function, together with well-established behavioral readouts for CTD mice, to longitudinally study the therapeutic efficacy of cyclocreatine (cCr) at the preclinical level. Our results show that cCr treatment is able to partially correct hemodynamic responses and EEG abnormalities, improve cognitive deficits, revert autistic-like behaviors and protect against seizures. This study provides encouraging data to support the potential therapeutic benefit of cyclocreatine or other chemically modified lipophilic analogs of Cr.
Quasi-spectral characterization of intracellular regions in bright-field light microscopy images
Authors: Lonhus Kirill , Rychtáriková Renata , Platonova Ganna , Štys Dalibor
Published: October 2020

Investigation of cell structure is hardly imaginable without bright-field microscopy. Numerous modifications such as depth-wise scanning or videoenhancement make this method being state-of-the-art. This raises a question what maximal information can be extracted from ordinary (but well acquired) bright-field images in a model-free way. Here we introduce a method of a physically correct extraction of features for each pixel when these features resemble a transparency spectrum. The method is compatible with existent ordinary bright-field microscopes and requires mathematically sophisticated data processing. Unsupervised clustering of the spectra yields reasonable semantic segmentation of unstained living cells without any a priori information about their structures. Despite the lack of reference data (to prove strictly that the proposed feature vectors coincide with transparency), we believe that this method is the right approach to an intracellular (semi)quantitative and qualitative chemical analysis.
Untreated sewage outfalls do not promote Trichodesmium blooms in the coasts of the Canary Islands
Authors: Benavides Mar , Arístegui Javier
Published: October 2020

During the summer of 2017, recurrent extensive blooms of the diazotrophic cyanobacterium Trichodesmium invaded the beaches and coastal waters of the Canary Islands, causing great social alarm. Some local media and public sectors ascribed, without any strong scientific evidence, the origin and reactivation of these blooms to untreated sewage outfalls distributed along the coasts. In order to test whether sewage outfalls could have any influence on the metabolic activity of Trichodesmium, we performed 13C and 15N2 uptake experiments with colonies experiencing three different bloom development stages, incubated both with clear seawater and sewage water from an outfall south of Gran Canaria island. Our results showed that sewage outfalls did not promote any increase in dinitrogen (N2) fixation in Trichodesmium, supporting the hypothesis that decaying blooms were generated offshore and transported shoreward by local currents and winds, accumulating mostly leeward of the islands. The combination of unusually warm seawater temperatures, enhanced and sustained stratification of the upper water column and recurrent dust deposition events would have favored the development of the Trichodesmium blooms, which lasted for at least four months.
Pollination and fruit infestation under artificial light at night:light colour matters
Authors: Boom Michiel P. , Spoelstra Kamiel , Biere Arjen , Knop Eva , Visser Marcel E.
Published: October 2020

Rapid human population growth and associated urbanization lead to increased artificial illumination of the environment. By changing the natural light–dark cycle, artificial lighting can affect the functioning of natural ecosystems. Many plants rely on insects in order to reproduce but these insects are known to be disturbed by artificial light. Therefore, plant–insect interactions may be affected when exposed to artificial illumination. These effects can potentially be reduced by using different light spectra than white light. We studied the effect of artificial lighting on plant–insect interactions in the Silene latifolia–Hadena bicruris system using a field set-up with four different light treatments: red, green, white and a dark control. We compared the proportion of fertilized flowers and fertilized ovules as well as the infestation of fruits by Hadena bicruris, a pollinating seed predator. We found no difference in the proportion of fertilized flowers among the treatments. The proportion of fruits infested by H. bicruris was however significantly higher under green and white light and a significantly lower proportion of fertilized ovules was found under green light. We show that artificial light with different colours impacts plant–insect interactions differently, with direct consequences for plant fitness.
Comparison of two different doses of bleomycin in electrochemotherapy protocols for feline cutaneous squamous cell carcinoma nonsegregated from ultraviolet light exposure
Authors: Dos Anjos Denner S. , Sierra Oscar R. , Spugnini Enrico P. , De Nardi Andrigo B. , Fonseca-Alves Carlos E.
Published: October 2020

Cutaneous squamous cell carcinoma (cSCC) is one of the most common skin tumors in cats due to chronic exposure to ultraviolet light. Local treatments such as electrochemotherapy (ECT) promote disease control or even complete remission. We hypothesize that cats could benefit from treatments using bleomycin at reduced dosages. A prospective nonrandomized single-blind study evaluated the clinical parameters, site lesion, staging, disease-free interval (DFI) and survival time by comparing the standard dose of bleomycin (15,000 UI/m2) (n = 22) with a reduced dose (10,000 UI/m2) (n = 34) in cats with cSCC that underwent ECT as the sole treatment modality. No statistically significant difference in DFI or overall survival was observed between the 2 groups. A higher DFI was found in cats with a small tumor size (less than 0.33 cm3) compared with that for cats with a large tumor size (P = 0.045). Furthermore, a reduced overall survival time for cats with a higher stage in the standard group SG (T3 and T4) (P = 0.004) was observed when compared to that for cats with a lower stage (T1 and T2). In conclusion, ECT using both doses of bleomycin may achieve the same response rate in terms of the overall response, DFI, and overall survival.
Mass wasting susceptibility assessment of snow avalanches using machine learning models
Authors: Choubin Bahram , Borji Moslem , Hosseini Farzaneh Sajedi , Mosavi Amirhosein , Dineva Adrienn A.
Published: October 2020

Snow avalanche is among the most harmful natural hazards with major socioeconomic and environmental destruction in the cold and mountainous regions. The devastating propagation and accumulation of the snow avalanche debris and mass wasting of surface rocks and vegetation particles threaten human life, transportation networks, built environments, ecosystems, and water resources. Susceptibility assessment of snow avalanche hazardous areas is of utmost importance for mitigation and development of land-use policies. This research evaluates the performance of the well-known machine learning methods, i.e., generalized additive model (GAM), multivariate adaptive regression spline (MARS), boosted regression trees (BRT), and support vector machine (SVM), in modeling the mass wasting hazard induced by snow avalanches. The key features are identified by the recursive feature elimination (RFE) method and used for the model calibration. The results indicated a good performance of the modeling process (Accuracy > 0.88, Kappa > 0.76, Precision > 0.84, Recall > 0.86, and AUC > 0.89), which the SVM model highlighted superior performance than others. Sensitivity analysis demonstrated that the topographic position index (TPI) and distance to stream (DTS) were the most important variables which had more contribution in producing the susceptibility maps.
Cerebrospinal fluid lipidomic biomarker signatures of demyelination for multiple sclerosis and Guillain–Barré syndrome
Authors: Péter Mária , Török Wanda , Petrovics-Balog Anna , Vígh László , Vécsei László , Balogh Gábor
Published: October 2020

Multiple sclerosis (MS) and Guillain–Barré syndrome (GBS) are demyelinating disorders affecting the central nervous system and peripheral nervous system (PNS), respectively. Cerebrospinal fluid (CSF) is one of the most valuable sources of diagnostic biomarkers in neurological diseases. In the present study high sensitivity shotgun mass spectrometry was used to characterise the CSF lipidome of patients with MS, GBS and controls with non-demyelinating diseases. The quantification of 222 CSF lipid molecular species revealed characteristic changes in the absolute and relative lipid concentrations in MS and GBS compared to the controls. For the GBS group, the fourfold elevation in the total lipid content was a discriminatory and a newly identified feature of PNS demyelination. In contrast, in MS, the accumulation of the myelin-derived cerebrosides represented a specific feature of demyelination. As a common feature of demyelination, we identified upregulated levels of lipid metabolic intermediates. We found strong positive correlation between total protein content and lipid concentrations in both diseases. By exploring the CSF lipidome we demonstrate usefulness of broad-range shotgun lipidomic analysis as a fast and reliable method of biomarker discovery in patients with demyelinating neurological disorders that might be a valuable diagnostic complement to existing examinations.