bluuebunny/crossref_metadata_2025 huggingface dataset:
Isotropic and Anisotropic P Wave Velocity Structures of the Crust and Uppermost Mantle Beneath Turkey
Authors: Wang Haibo , Huang Zhouchuan , Eken Tuna , Keleş Derya , Kaya‐Eken Tulay , Confal Judith M. , Erman Ceyhun , Yolsal‐Çevikbilen Seda , Zhao Dapeng , Taymaz Tuncay
Published: November 2020

Compressional and extensional tectonics following northward plate convergences since the Miocene have formed the major surface features in Turkey, such as faulting and orogeny. Despite increasing efforts in last few decades aiming to elucidate the current architecture of the crust and mantle beneath Turkey, several issues regarding the depth extent of the deformation zones, crust‐mantle interaction (e.g., coupling and decoupling) in relation to the deformation, and stress transmission in the lithosphere remain elusive. Here we present high‐resolution 3‐D P wave isotropic and azimuthal anisotropic velocity models of the crust and uppermost mantle beneath Turkey by inverting 204,531 P wave arrival times of 8,103 local crustal earthquakes. Our results reveal low‐velocity anomalies or velocity contrasts down to the uppermost mantle along the North and East Anatolian Fault Zones. The fast velocity directions (FVDs) of azimuthal anisotropy in the lower crust and uppermost mantle are parallel to the regional maximum extensional directions in western Turkey, and the FVDs in the crust and uppermost mantle are parallel to the surface structures in southeastern Turkey. These results indicate that vertically coherent deformation between the crust and uppermost mantle occurs in western and southeastern Turkey. However, in central northern Turkey, the FVDs in the uppermost mantle are oblique to both the FVDs in the lower crust and the maximum shear directions derived from GPS measurements, suggesting that the crust and lithospheric mantle are decoupled there.
Vagus nerve stimulation optimized cardiomyocyte phenotype, sarcomere organization and energy metabolism in infarcted heart through FoxO3A-VEGF signaling
Authors: Luo Bin , Wu Yan , Liu Shu-lin , Li Xing-yuan , Zhu Hong-rui , Zhang Lei , Zheng Fei , Liu Xiao-yao , Guo Ling-yun , Wang Lu , Song Hong-xian , Lv Yan-xia , Cheng Zhong-shan , Chen Shi-you , Wang Jia-ning , Tang Jun-ming
Published: November 2020

Vagus nerve stimulation (VNS) restores autonomic balance, suppresses inflammation action and minimizes cardiomyocyte injury. However, little knowledge is known about the VNS’ role in cardiomyocyte phenotype, sarcomere organization, and energy metabolism of infarcted hearts. VNS in vivo and acetylcholine (ACh) in vitro optimized the levels of α/β-MHC and α-Actinin positive sarcomere organization in cardiomyocytes while reducing F-actin assembly of cardiomyocytes. Consistently, ACh improved glucose uptake while decreasing lipid deposition in myocytes, correlating both with the increase of Glut4 and CPT1α and the decrease of PDK4 in infarcted hearts in vivo and myocytes in vitro, attributing to improvement in both glycolysis by VEGF-A and lipid uptake by VEGF-B in response to Ach. This led to increased ATP levels accompanied by the repaired mitochondrial function and the decreased oxygen consumption. Functionally, VNS improved the left ventricular performance. In contrast, ACh-m/nAChR inhibitor or knockdown of VEGF-A/B by shRNA powerfully abrogated these effects mediated by VNS. On mechanism, ACh decreased the levels of nuclear translocation of FoxO3A in myocytes due to phosphorylation of FoxO3A by activating AKT. FoxO3A overexpression or knockdown could reverse the specific effects of ACh on the expression of VEGF-A/B, α/β-MHC, Glut4, and CPT1α, sarcomere organization, glucose uptake and ATP production. Taken together, VNS optimized cardiomyocytes sarcomere organization and energy metabolism to improve heart function of the infarcted heart during the process of delaying and/or blocking the switch from compensated hypertrophy to decompensated heart failure, which were associated with activation of both P13K/AKT-FoxO3A-VEGF-A/B signaling cascade.
Water accelerated self-healing of hydrophobic copolymers
Authors: Davydovich Dmitriy , Urban Marek W.
Published: November 2020

Previous studies have shown that copolymer compositions can significantly impact self-healing properties. This was accomplished by enhancement of van der Waals (vdW) forces which facilitate self-healing in relatively narrow copolymer compositional range. In this work we report the acceleration of self-healing in alternating/random hydrophobic acrylic-based copolymers in the presence of confined water molecules. Under these conditions competing vdW interactions do not allow H2O-diester H-bonding, thus forcing nBA side groups to adapt L-shape conformations, generating stronger dipole-dipole interactions resulting in shorter inter-chain distances compared to ‘key-and-lock’ associations without water. The perturbation of vdW forces upon mechanical damage in the presence of controllable amount of confined water is energetically unfavorable leading the enhancement of self-healing efficiency of hydrophobic copolymers by a factor of three. The concept may be applicable to other self-healing mechanisms involving reversible covalent bonding, supramolecular chemistry, or polymers with phase-separated morphologies.
In-plane uniaxial pressure-induced out-of-plane antiferromagnetic moment and critical fluctuations in BaFe2As2
Authors: Liu Panpan , Klemm Mason L. , Tian Long , Lu Xingye , Song Yu , Tam David W. , Schmalzl Karin , Park J. T. , Li Yu , Tan Guotai , Su Yixi , Bourdarot Frédéric , Zhao Yang , Lynn Jeffery W. , Birgeneau Robert J. , Dai Pengcheng
Published: November 2020

A small in-plane external uniaxial pressure has been widely used as an effective method to acquire single domain iron pnictide BaFe2As2, which exhibits twin-domains without uniaxial strain below the tetragonal-to-orthorhombic structural (nematic) transition temperature Ts. Although it is generally assumed that such a pressure will not affect the intrinsic electronic/magnetic properties of the system, it is known to enhance the antiferromagnetic (AF) ordering temperature TN ( < Ts) and create in-plane resistivity anisotropy above Ts. Here we use neutron polarization analysis to show that such a strain on BaFe2As2 also induces a static or quasi-static out-of-plane (c-axis) AF order and its associated critical spin fluctuations near TN/Ts. Therefore, uniaxial pressure necessary to detwin single crystals of BaFe2As2 actually rotates the easy axis of the collinear AF order near TN/Ts, and such effects due to spin-orbit coupling must be taken into account to unveil the intrinsic electronic/magnetic properties of the system.
Laser scanning reflection-matrix microscopy for aberration-free imaging through intact mouse skull
Authors: Yoon Seokchan , Lee Hojun , Hong Jin Hee , Lim Yong-Sik , Choi Wonshik
Published: November 2020

A mouse skull is a barrier for high-resolution optical imaging because its thick and inhomogeneous internal structures induce complex aberrations varying drastically from position to position. Invasive procedures creating either thinned-skull or open-skull windows are often required for the microscopic imaging of brain tissues underneath. Here, we propose a label-free imaging modality termed laser scanning reflection-matrix microscopy for recording the amplitude and phase maps of reflected waves at non-confocal points as well as confocal points. The proposed method enables us to find and computationally correct up to 10,000 angular modes of aberrations varying at every 10 × 10 µm2 patch in the sample plane. We realized reflectance imaging of myelinated axons in vivo underneath an intact mouse skull, with an ideal diffraction-limited spatial resolution of 450 nm. Furthermore, we demonstrated through-skull two-photon fluorescence imaging of neuronal dendrites and their spines by physically correcting the aberrations identified from the reflection matrix.
Broadband random optoelectronic oscillator
Authors: Ge Zengting , Hao Tengfei , Capmany José , Li Wei , Zhu Ninghua , Li Ming
Published: November 2020

Random scattering of light in transmission media has attracted a great deal of attention in the field of photonics over the past few decades. An optoelectronic oscillator (OEO) is a microwave photonic system offering unbeatable features for the generation of microwave oscillations with ultra-low phase noise. Here, we combine the unique features of random scattering and OEO technologies by proposing an OEO structure based on random distributed feedback. Thanks to the random distribution of Rayleigh scattering caused by inhomogeneities within the glass structure of the fiber, we demonstrate the generation of ultra-wideband (up to 40 GHz from DC) random microwave signals in an open cavity OEO. The generated signals enjoy random characteristics, and their frequencies are not limited by a fixed cavity length figure. The proposed device has potential in many fields such as random bit generation, radar systems, electronic interference and countermeasures, and telecommunications.
A network-based approach to deciphering a dynamic microbiome’s response to a subtle perturbation
Authors: Shaw Grace Tzun-Wen , Liu An-Chi , Weng Chieh-Yin , Chen Yi-Chun , Chen Cheng-Yu , Weng Francis Cheng-Hsuan , Wang Daryi , Chou Chu-Yang
Published: November 2020

Over the past decades, one main issue that has emerged in ecological and environmental research is how losses in biodiversity influence ecosystem dynamics and functioning, and consequently human society. Although biodiversity is a common indicator of ecosystem functioning, it is difficult to measure biodiversity in microbial communities exposed to subtle or chronic environmental perturbations. Consequently, there is a need for alternative bioindicators to detect, measure, and monitor gradual changes in microbial communities against these slight, chronic, and continuous perturbations. In this study, microbial networks before and after subtle perturbations by adding S. acidaminiphila showed diverse topological niches and 4-node motifs in which microbes with co-occurrence patterns played the central roles in regulating and adjusting the intertwined relationships among microorganisms in response to the subtle environmental changes. This study demonstrates that microbial networks are a good bioindicator for chronic perturbation and should be applied in a variety of ecological investigations.
Clinical characteristics and disease progression of retinitis pigmentosa associated with PDE6B mutations in Korean patients
Authors: Kim You Na , Song Joon Seon , Oh Seak Hee , Kim Yoon Jeon , Yoon Young Hee , Seo Eul-Ju , Seol Chang Ahn , Lee Sae-Mi , Choi Jong-Moon , Seo Go Hun , Keum Changwon , Lee Beom Hee , Lee Joo Yong
Published: November 2020

Due to the genotype–phenotype heterogeneity in retinitis pigmentosa (RP), molecular diagnoses and prediction of disease progression is difficult. This study aimed to report ocular and genetic data from Korean patients with PDE6B-associated RP (PDE6B-RP), and establish genotype–phenotype correlations to predict the clinical course. We retrospectively reviewed targeted next-generation sequencing or whole exome sequencing data for 305 patients with RP, and identified PDE6B-RP in 15 patients (median age, 40.0 years). Amongst these patients, ten previously reported PDE6B variants (c.1280G > A, c.1488del, c.1547T > C, c.1604T > A, c.1669C > T, c.1712C > T, c.2395C > T, c.2492C > T, c.592G > A, and c.815G > A) and one novel variant (c.712del) were identified. Thirteen patients (86.7%) experienced night blindness as the first symptom at a median age of 10.0 years. Median age at diagnosis was 21.0 years and median visual acuity (VA) was 0.20 LogMAR at the time of genetic analysis. Nonlinear mixed models were developed and analysis revealed that VA exponentially decreased over time, while optical coherence tomography parameters linearly decreased, and this was related with visual field constriction. A high proportion of patients with the c.1669C > T variant (7/9, 77.8%) had cystoid macular edema; despite this, patients with this variant did not show a higher rate of functional or structural progression. This study will help clinicians predict functional and structural progression in patients with PDE6B-RP.
In-vitro assessment of appropriate hydrophilic scaffolds by co-electrospinning of poly(1,4 cyclohexane isosorbide terephthalate)/polyvinyl alcohol
Authors: Salam Abdul , Khan Muhammad Qamar , Hassan Tufail , Hassan Nafees , Nazir Ahsan , Hussain Tanveer , Azeem Musaddaq , Kim Ick Soo
Published: November 2020

Textile-based Scaffolds preparation has the attractive features to fulfill the stated and implied needs of the consumer but there are still challenges of stability, elongation, appreciable bio-compatibility, and stated hydrophilic behavior. To overcome these challenges, the authors tried to fabricate a scaffold by blending of two highly biocompatible polymers; polyvinyl alcohol and poly(1,4 cyclohexane isosorbide terephthalate) through co-electrospinning. The resultant scaffold by the stated innovative approach evaluated from different characterizations such as dimensional stability/morphology was evaluated by scanning electron microscopy, chemical interactions by that Fourier transmission infrared spectra, wetting behavior was analyzed by a static angle with a contact angle meter from drop method, elongation was examined by tensile strength tester and in-vitro assessment was done by MTT analysis. Based on verified results, it was concluded that PVA/PICT scaffold has a potential for dual nature of hydrophilicity & hydrophobicity and appreciable cell culture growth, stated dimensional stability and suitable elongation as per requirements of the nature of scaffold.
Identification of immune-related genes as prognostic factors in bladder cancer
Authors: Zhu Jie , Wang Han , Ma Ting , He Yan , Shen Meng , Song Wei , Wang Jing-Jing , Shi Jian-Ping , Wu Meng-Yao , Liu Chao , Wang Wen-Jie , Huang Yue-Qing
Published: November 2020

Bladder cancer is one of the most common cancers worldwide. The immune response and immune cell infiltration play crucial roles in tumour progression. Immunotherapy has delivered breakthrough achievements in the past decade in bladder cancer. Differentially expressed genes and immune-related genes (DEIRGs) were identified by using the edgeR package. Gene ontology annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed for functional enrichment analysis of DEIRGs. Survival-associated IRGs were identified by univariate Cox regression analysis. A prognostic model was established by univariate COX regression analysis, and verified by a validation prognostic model based on the GEO database. Patients were divided into high-risk and low-risk groups based on the median risk score value for immune cell infiltration and clinicopathological analyses. A regulatory network of survival-associated IRGs and potential transcription factors was constructed to investigate the potential regulatory mechanisms of survival-associated IRGs. Nomogram and ROC curve to verify the accuracy of the model. Quantitative real-time PCR was performed to validate the expression of relevant key genes in the prognostic model. A total of 259 differentially expressed IRGs were identified in the present study. KEGG pathway analysis of IRGs showed that the “cytokine-cytokine receptor interaction” pathway was the most significantly enriched pathway. Thirteen survival-associated IRGs were selected to establish a prognostic index for bladder cancer. In both TCGA prognostic model and GEO validation model, patients with high riskscore had worse prognosis compared to low riskscore group. A high infiltration level of macrophages was observed in high-risk patients. OGN, ELN, ANXA6, ILK and TGFB3 were identified as hub survival-associated IRGs in the network. EBF1, WWTR1, GATA6, MYH11, and MEF2C were involved in the transcriptional regulation of these survival-associated hub IRGs. The present study identified several survival-associated IRGs of clinical significance and established a prognostic index for bladder cancer outcome evaluation for the first time.
Recent and projected precipitation and temperature changes in the Grand Canyon area with implications for groundwater resources
Authors: Tillman Fred D , Gangopadhyay Subhrendu , Pruitt Tom
Published: November 2020

Groundwater is a critical resource in the Grand Canyon region, supplying nearly all water needs for residents and millions of visitors. Additionally, groundwater discharging at hundreds of spring locations in and near Grand Canyon supports important ecosystems in this mostly arid environment. The security of groundwater supplies is of critical importance for both people and ecosystems in the region and the potential for changes to groundwater systems from projected climate change is a cause for concern. In this study, we analyze recent historical and projected precipitation and temperature data for the Grand Canyon region. Projected climate scenarios are then used in Soil Water Balance groundwater infiltration simulations to understand the state-of-the-science on projected changes to groundwater resources in the area. Historical climate data from 1896 through 2019 indicate multi-decadal cyclical patterns in both precipitation and temperature for most of the time period. Since the 1970s, however, a significant rising trend in temperature is observed in the area. All 10-year periods since 1993 are characterized by both below average precipitation and above average temperature. Downscaled and bias-corrected precipitation and temperature output from 97 CMIP5 global climate models for the water-year 2020–2099 time period indicate projected precipitation patterns similar to recent historical (water-year 1951–2015) data. Projected temperature for the Grand Canyon area, however, is expected to rise by as much as 3.4 °C by the end of the century, relative to the recent historical average. Integrating the effects of projected precipitation and temperature changes on groundwater infiltration, simulation results indicate that > 76% of future decades will experience average potential groundwater infiltration less than that of the recent historical period.
Identification and quantitation of the actual active components in bamboo juice and its oral liquid by NMR and UPLC-Q-TOF-MS
Authors: Gao Quan , Wang Detao , Shao Siyue , Xue Yingying , Zhang Yingfang , Chen Chen , Tang Feng , Sun Jia , Li Yansu , Guo Qirong
Published: November 2020

Bamboo juice is a traditional Chinese drink and herbal medicine, and bamboo juice oral liquids are widely sold for the treatment of cough and phlegm in China. In this study, 26 main compounds of bamboo juice (Phyllostachys edulis) were separated, precisely identified, and qualitative analysis using NMR (nuclear magnetic resonance) and quantitative analysis using UPLC-Q-TOF-MS (ultra-performance liquid chromatography with high-resolution quadrupole time-of-flight mass spectrometer), respectively. Potentially harmful levels of added excessive preservatives, including benzoic acid, ethylparaben, and sorbic acid, were found in bamboo juice oral liquid. Carbohydrates were determined to be the major components of bamboo juice, with contents as high as 191.13 g L−1, far higher than those of other compounds. The result indicated that the cough relief activity of bamboo juice oral liquid may be related to their high levels of added preservatives.
Arsenic mobilization by anaerobic iron-dependent methane oxidation
Authors: Glodowska Martyna , Stopelli Emiliano , Schneider Magnus , Rathi Bhasker , Straub Daniel , Lightfoot Alex , Kipfer Rolf , Berg Michael , Jetten Mike , Kleindienst Sara , Kappler Andreas ,   AdvectAs Team Members, Glodowska M. , Kappler A. , Kleindienst S. , Cirpka O. A. , Rathi B. , Lightfoot A. , Stopelli E. , Berg M. , Kipfer R. , Winkel L. , Schneider M. , Eiche E. , Kontny A. , Neumann T. , Viet Pham Hung , Pham Trang , Vu D. , Lan Vi Mai , Tran Mai , Nga Viet , Prommer H.
Published: November 2020

Arsenic groundwater contamination threatens the health of millions of people worldwide, particularly in South and Southeast Asia. In most cases, the release of arsenic from sediment was caused by microbial reductive dissolution of arsenic-bearing iron(III) minerals with organic carbon being used as microbial electron donor. Although in many arsenic-contaminated aquifers high concentrations of methane were observed, its role in arsenic mobilization is unknown. Here, using microcosms experiments and hydrogeochemical and microbial community analyses, we demonstrate that methane functions as electron donor for methanotrophs, triggering the reductive dissolution of arsenic-bearing iron(III) minerals, increasing the abundance of genes related to methane oxidation, and ultimately mobilizing arsenic into the water. Our findings provide evidence for a methane-mediated mechanism for arsenic mobilization that is distinct from previously described pathways. Taking this together with the common presence of methane in arsenic-contaminated aquifers, we suggest that this methane-driven arsenic mobilization may contribute to arsenic contamination of groundwater on a global scale.
More meteorological events that drive compound coastal flooding are projected under climate change
Authors: Bevacqua Emanuele , Vousdoukas Michalis I. , Zappa Giuseppe , Hodges Kevin , Shepherd Theodore G. , Maraun Douglas , Mentaschi Lorenzo , Feyen Luc
Published: November 2020

Compound flooding arises from storms causing concurrent extreme meteorological tides (that is the superposition of storm surge and waves) and precipitation. This flooding can severely affect densely populated low-lying coastal areas. Here, combining output from climate and ocean models, we analyse the concurrence probability of the meteorological conditions driving compound flooding. We show that, under a high emissions scenario, the concurrence probability would increase globally by more than 25% by 2100 compared to present. In latitudes above 40onorth, compound flooding could become more than 2.5 times as frequent, in contrast to parts of the subtropics where it would weaken. Changes in extreme precipitation and meteorological tides account for most (77% and 20%, respectively) of the projected change in concurrence probability. The evolution of the dependence between precipitation and meteorological tide dominates the uncertainty in the projections. Our results indicate that not accounting for these effects in adaptation planning could leave coastal communities insufficiently protected against flooding.
N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides
Authors: Palai Bibhuti Bhusana , Sharma Nagendra K.
Published: November 2020

N-arylated peptides as peptoids influence the structural and conformational changes of small peptides that lead to unique foldamers, even in di-/tri-peptides.
Role of hemibonding in the structure and ultraviolet spectroscopy of the aqueous hydroxyl radical
Authors: Rana Bhaskar , Herbert John M.
Published: November 2020

The presence of a two-center, three-electron hemibond in the solvation structure of the aqueous hydroxl radical has long been debated, as its appearance can be sensitive to self-interaction error in density functional theory.
A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction
Authors: Soler Jordi , González-Lafont Àngels , Lluch José M.
Published: November 2020

The multidimensional small-curvature tunneling (SCT) method with Electrostatic Embedding calculations is a compromise between an accessible computational cost and the attainment of an accurate enough estimation of tunneling for an enzyme reaction.
Efficient suppression of the shuttle effect in Na–S batteries with an As2S3 anchoring monolayer
Authors: Kaewmaraya T. , Hussain T. , Umer R. , Hu Z. , Zhao X. S.
Published: November 2020

Sodium–sulfur batteries (NaSBs) have emerged as a promising energy storage technology for large-scale stationary applications such as smart electrical grids due to their exceptionally high energy density and cost-effectiveness.
Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF
Authors: Watkins Daniel , Roseveare Thomas M. , Warren Mark R. , Thompson Stephen P. , Fletcher Ashleigh J. , Brammer Lee
Published: November 2020

Quartz-type MOF (Me2NH2)2[Cd(NO2BDC)2] (SHF-81) exhibits anisotropic breathing behaviour as single crystals in response to multiple stimuli.
Drying methods and structure–activity relationships of hydroxycinnamic acid derivatives in Idesia polycarpa Maxim. Leaves
Authors: Huang Lei , Zhu Yu , Peng Tong , Qiu Jianfei , Rao Qing , Song Jingrui , Xiao Shiji , Li Yanmei , Tang Lin
Published: November 2020

The sun-drying mothed changed the structure of the compound, and enhance the lipid-lowering activity of I. polycarpa Maxim. leaves.
Enantiospecific on-water bromination: a mild and efficient protocol for the preparation of alkyl bromides
Authors: Alletto Francesco , Adamo Mauro F. A.
Published: November 2020

Herein we report the first example of an on-water enantiospecific synthesis of alkyl bromides. This procedure allowed the conversion of secondary activated alkyl sulphides to benzylic alkyl bromides, which were obtained in high yields and excellent enantioselectivity.
Microdissected “cuboids” for microfluidic drug testing of intact tissues
Authors: Horowitz Lisa F. , Rodriguez Adan D. , Au-Yeung Allan , Bishop Kevin W. , Barner Lindsey A. , Mishra Gargi , Raman Aashik , Delgado Priscilla , Liu Jonathan T. C. , Gujral Taranjit S. , Mehrabi Mehdi , Yang Mengsu , Pierce Robert H. , Folch Albert
Published: November 2020

A microfluidic platform permits multiple drug testing of uniformly-sized microscale “cuboids” of live tissue with well-preserved microenvironments.
Growth amplification in ultrahigh-throughput microdroplet screening increases sensitivity of clonal enzyme assays and minimizes phenotypic variation
Authors: Zurek Paul Jannis , Hours Raphaëlle , Schell Ursula , Pushpanath Ahir , Hollfelder Florian
Published: November 2020

Successful screening of enzyme libraries in functional metagenomics and directed evolution becomes more likely after uniform cell growth in droplets amplifies genotype and phenotype.
Theoretical and extraction studies on the selectivity of lithium with 14C4 derivatives
Authors: Chen Wenwen , Tian Yongpan , Hu Chenggui , Zhao Zhuo , Xu Liang , Tong Bihai
Published: November 2020

The interaction can be divided into four kinds: electrostatic, induction, exchange and dispersion. Electrostatics and induction are the main factors.
Synthesis of spirocyclic heterocycles from α,β-unsaturated N-acyliminium ions
Authors: Thaima Thanphat , Yazici Arife , Auranwiwat Chiramet , Willis Anthony C. , Wille Uta , Limtharakul Thunwadee , Pyne Stephen. G.
Published: November 2020

The reactions of α,β-unsaturated N-acyliminium ions, generated in situ from 4(S)-O-substitutedhydroxy-5-hydroxy-5-vinyl-N-alkylpyrrolidin-2-ones, with allylsilanes and indoles leading to the formation of spirocyclic heterocycles, are reported.
A high-output triboelectric nanogenerator based on nickel–copper bimetallic hydroxide nanowrinkles for self-powered wearable electronics
Authors: Xia Kequan , Wu Di , Fu Jiangming , Hoque Nur Amin , Ye Ying , Xu Zhiwei
Published: November 2020

This study provides a novel wearable TENG based on nickel–copper bimetallic hydroxide nanowrinkles (NC-TENG) to harvest the mechanical energy from human motion.
Uncooled CMOS fully integrated antenna‐coupled terahertz thermal detector
Authors: Wang Xu
Published: November 2020

In this Letter, an uncooled monolithic resonant terahertz (THz) thermal detector using a standard 55 nm CMOS technology is presented. The detector is constructed by the integration of a loop antenna loaded with a polysilicon resistor and a proportional to absolute temperature sensor, which is used as a temperature‐sensitive device. An overview of the design considerations, as well as the comparatively better characterisation results are demonstrated in detail. A high‐temperature coefficient of voltage (TCVD) of 10.11 mV/°C, a maximum responsivity of 48.67 V/W, and a minimum noise equivalent power of 1.22 μW/Hz0.5 for the thermal detector are measured at the optimal operating point of 2.58 THz.
Quantitative remote sensing monitoring of water quality in Bohai Bay based on Landsat multispectral data
Authors: Wei YE , Wei SONG
Published: November 2020

In this paper, through the principal component analysis of water quality survey data of Bohai Bay in 2006, 2009 and 2013, the main pollutant was selected, and the quasi-simultaneous Landsat multispectral remote sensing data are regressed to establish the quantitative inversion model of the sensitive band and the main pollutants in seawater. The accuracy of the model is determined to meet the requirements of quantitative inversion of water quality remote sensing through the significance test method of accuracy assessment, providing a basis for future multispectral remote sensing monitoring of water quality indicators. assessment, providing a basis for future multispectral remote sensing monitoring of water quality indicators.
Mechanism of irregular crack-propagation in thermal controlled fracture of ceramics induced by microwave
Authors: Cheng Xiaoliang , Zhao Chunyang , Wang Hailong , Wang Yang , Wang Zhenlong
Published: November 2020

Microwave cutting glass and ceramics based on thermal controlled fracture method has gained much attention recently for its advantages in lower energy-consumption and higher efficiency than conventional processing method. However, the irregular crack-propagation is problematic in this procedure, which hinders the industrial application of this advanced technology. In this study, the irregular crack-propagation is summarized as the unstable propagation in the initial stage, the deviated propagation in the middle stage, and the non-penetrating propagation in the end segment based on experimental work. Method for predicting the unstable propagation in the initial stage has been developed by combining analytical models with thermal-fracture simulation. Experimental results show good agreement with the prediction results, and the relative deviation between them can be <5% in cutting of some ceramics. The mechanism of deviated propagation and the non-penetrating propagation have been revealed by simulation and theoretical analysis. Since this study provides effective methods to predict unstable crack-propagation in the initial stage and understand the irregular propagation mechanism in the whole crack-propagation stage in microwave cutting ceramics, it is of great significance to the industrial application of thermal controlled fracture method for cutting ceramic materials using microwave.
Immunologic Treatments of Seizures and Status Epilepticus
Authors: Culler George W. , VanHaerents Stephen
Published: November 2020

An autoimmune etiology for seizures, epilepsy, and status epilepticus is becoming increasingly recognized. The role of autoimmunity in epilepsy has been highlighted in the literature and the International League Against Epilepsy now recognizes autoimmune epilepsy as a distinct entity. An appropriate and thorough work-up of all new-onset seizures and status epilepticus is paramount in determining the likely efficacy of immunotherapeutic agents in treating seizures and status epilepticus. Criteria for the clinical diagnosis of autoimmune mediated epilepsy and encephalitis have been published by expert consensus and validated models to predict response to immunotherapy exist. These guidelines should guide clinicians about when to promptly start immunotherapy. Immunotherapy has been shown to improve outcomes and may reduce relapse rates in autoimmune encephalitis. Treatment algorithms with immunotherapeutic agents have been established by expert opinion and multiple observational retrospective trials in the past 10 years. However, future prospective randomized controlled trials are still needed to better understand the optimal regimen, dosing schedule, and duration of treatment with immunotherapeutic agents.
Welfare chauvinism in times of labour market segmentation: how different employment contracts moderate the impact of welfare chauvinism on support for radical right parties
Authors: Im Zhen Jie
Published: November 2020

I examine how different employment contracts moderate the impact of welfare chauvinist preferences on radical right support. Welfare chauvinism has become a cornerstone of radical right’s nativist electoral programme. Yet, there are mixed findings on how welfare chauvinist preferences affect radical right support. While some studies find a positive association, others find little correlation. One reason for such ambiguity is: voters who support welfare chauvinism may prioritise other competing issue preferences. They may thus vote for other parties, even if such parties do not offer welfare chauvinist programmes. From this perspective, the crucial question is: under what conditions do voters who support welfare chauvinism prefer the radical right? Among other reasons, I argue that they may do so when they experience economic risk from insecure employment contracts. Differences in employment protection legislation strictness for different employment contracts yield differences in employment security for these different contracts. Using cross-national data from the European Social Survey (Rounds 1 and 7), I find that employed workers, who support welfare chauvinism and have temporary contracts, vote most for radical right parties. I regard this finding as evidence that voters supporting welfare chauvinism prefer radical right parties under conditions of employment insecurity.
Magnetic viscoelastic behavior in a colloidal ferrofluid
Authors: Peredo-Ortíz R. , Hernández-Contreras M. , Hernández-Gómez R.
Published: November 2020

Based on the stochastic Langevin equation, we derived the total friction experienced by a tracer particle diffusing in thermally equilibrated colloidal magnetic fluids. This transport property leads to new expressions for its long-time diffusion coefficients, which satisfy an Einstein relation with the frictions of its translational and rotational Brownian motion. Further use of the nano-rheology theory allowed us to derive also the viscoelastic modulus of the colloid from such a property. The temporal relaxation of the viscoelasticity and transport coefficient turns out to be governed by the intermediate scattering function of the colloid. We derived an explicit formula for this evolution function within a hydrodynamic theory to include rotational degrees of freedom of the particles. In the limit of short frequencies, the viscous moduli render a new expression for the static viscosity. We found that its comparison with known experiments, at low and high concentration of ferroparticles in magnetite ferrofluids, is fair. However, comparing the predicted viscoelastic moduli with computer simulations as a function of frequency yields poor agreement.
Labyrinth chaos: Revisiting the elegant, chaotic, and hyperchaotic walks
Authors: Basios Vasileios , Antonopoulos Chris G. , Latifi Anouchah
Published: November 2020

Labyrinth chaos was discovered by Otto Rössler and René Thomas in their endeavor to identify the necessary mathematical conditions for the appearance of chaotic and hyperchaotic motion in continuous flows. Here, we celebrate their discovery by considering a single labyrinth walk system and an array of coupled labyrinth chaos systems that exhibit complex, chaotic behavior, reminiscent of chimera-like states, a peculiar synchronization phenomenon. We discuss the properties of the single labyrinth walk system and review the ability of coupled labyrinth chaos systems to exhibit chimera-like states due to the unique properties of their space-filling, chaotic trajectories, which amounts to elegant, hyperchaotic walks. Finally, we discuss further implications in relation to the labyrinth walk system by showing that even though it is volume-preserving, it is not force-conservative.
Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization
Authors: Tölle Johannes , Cupellini Lorenzo , Mennucci Benedetta , Neugebauer Johannes
Published: November 2020

Subsystem time-dependent density-functional theory (sTDDFT) making use of approximate non-additive kinetic energy (NAKE) functionals is known to be capable of describing excitation energy transfer processes in a variety of applications. Here, we show that sTDDFT, especially when combined with projection-based embedding (PbE), can be employed for the entire range of photo-induced electronic couplings essential for modeling photophysical properties of complex chemical and biological systems and therefore represents a complete toolbox for this class of problems. This means that it is capable of capturing the interaction/coupling associated with local- and charge-transfer (CT) excitons. However, this requires the choice of a reasonable diabatic basis. We therefore propose different diabatization strategies of the virtual orbital space in PbE-sTDDFT and show how CT excitations can be included in sTDDFT using NAKE functionals via a phenomenological approach. Finally, these electronic couplings are compared to couplings from a multistate fragment excitation difference (FED)–fragment charge difference (FCD) diabatization procedure. We show that both procedures, multistate FED–FCD and sTDDFT (with the right diabatization procedure chosen), lead to an overall good agreement for the electronic couplings, despite differences in their general diabatization strategy. We conclude that the entire range of photo-induced electronic couplings can be obtained using sTDDFT (with the right diabatization procedure chosen) in a black-box manner.
Propagation dynamics of an azimuthally polarized Bessel–Gauss laser beam in a parabolic plasma channel
Authors: Tang Rong-An , Yin Li-Ru , Hong Xue-Ren , Gao Ji-Ming , Cheng Li-Hong , Xue Ju-Kui
Published: November 2020

The propagation dynamics of an azimuthally polarized dark hollow laser beam described by a first-order Bessel–Gauss laser beam in a parabolic plasma channel is investigated by adopting the weakly relativistic limit. By using the variational method, the evolution equation of the ring-beam radius is derived and the ring-beam width is proportional to and synchronous with the radius. It is found that the azimuthal polarization can weaken the vacuum diffraction effect and the propagation dynamics of the dark hollow laser beam may be classified into three types, i.e., propagation with a constant ring-beam radius and width, or synchronous periodic defocusing oscillation, or synchronous periodic focusing oscillation. Their corresponding critical conditions and characteristic quantities, such as the amplitudes and spatial wavelengths, are obtained. Further investigation indicates that, with the increase in the initial laser power or the ratio of initial ring-beam radius to channel radius, the dark hollow beam may experience a process from synchronous periodic defocusing oscillation to constant propagation and then to synchronous periodic focusing oscillation, in which the corresponding amplitudes decrease sharply to zero (constant propagation) and then increase gradually, while the spatial wavelength decreases continuously. The evolution type of this kind of dark hollow beam also depends on its initial amplitude but is insensitive to the initial laser profile which, however, has a large influence on the spatial wavelength. These results are well confirmed by the numerical simulation of the wave equation. A two-dimensional particle-in-cell simulation of an azimuthally polarized laser beam is performed finally and also reveals the main results.
An improved seminumerical Coulomb and exchange algorithm for properties and excited states in modern density functional theory
Authors: Holzer Christof
Published: November 2020

A seminumerical algorithm capable of performing large-scale (time-dependent) density functional theory (TD-DFT) calculations to extract excitation energies and other ground-state and excited-state properties is outlined. The algorithm uses seminumerical integral techniques for evaluating Coulomb and exchange parts for a set of density matrices as occurring in standard TD-DFT or similar methods for the evaluation of vibrational frequencies. A suitable optimized de-aliasing procedure is introduced. The latter does not depend on further auxiliary quantities and retains the symmetry of a given density matrix. The algorithm is self-contained and applicable to any orbital basis set available without the need for further auxiliary basis sets or optimized de-aliasing grids. Relativistic two-component excited-state TD-DFT calculations are reported for the first time using the developed seminumerical algorithm for standard and local hybrid density functional approximations. Errors are compared with the widely used “resolution of the identity” (RI) approximations for Coulomb (RI-J) and exchange integrals (RI-K). The fully seminumerical algorithm does not exhibit an enlarged error for standard DFT functionals compared to the RI approximation. For the more involved local hybrid functionals and within strong external fields, accuracy is even considerably improved.
A molecular dynamics study on the chemical reaction of Ni/Al reactive intermetallics
Authors: Feng Jianrui , Liu Rui , Gao Feiyan , Zhou Qiang , Yang Rongjie , Wang Haifu , Chen Pengwan
Published: November 2020

The chemical reaction mechanism of Ni/Al composites, referring to the exothermic mechanism and intermetallic-forming mechanism, is investigated by using molecular dynamics simulation. During the exothermic process, the influences of Ni/Al atomic ratios and crystallographic orientations on the exothermic reaction are systematically investigated. The exothermic mechanism can be explained by the atomic diffusion that increases the quantity of Ni–Al chemical bonds. There are two pathways to form the intermetallic phase during the chemical reaction. One is the atomic diffusion that forms the B2 NiAl phase at the interface. The other way is quenching the sample to the room temperature, but the type of intermetallic phases depends on the Ni/Al atomic ratio and ignition temperature.
Nanoscale characterization of plasma functionalized graphitic flakes using tip-enhanced Raman spectroscopy
Authors: Kumar Naresh , Marchesini Sofia , Howe Thomas , Edwards Lee , Brennan Barry , Pollard Andrew J.
Published: November 2020

The chemical functionalization of graphene nanomaterials allows for the enhancement of their properties for novel functional applications. However, a better understanding of the functionalization process by determining the amount and location of functional groups within individual graphene nanoplatelets remains challenging. In this work, we demonstrate the capability of tip-enhanced Raman spectroscopy (TERS) to investigate the degree and spatial variability of the appearance of disorder in graphitic nanomaterials on the nanoscale with three different levels of nitrogen functionalization. TERS results are in excellent agreement with those of confocal Raman spectroscopy and chemical analysis, determined using x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry, of the functionalized materials. This work paves the way for a better understanding of the functionalization of graphene and graphitic nanomaterials at the nano-scale, micro-scale, and macro-scale and the relationship between the techniques and how they relate to the changes in material properties of industrial importance.
Determining population densities in bimodal micellar solutions using contrast-variation small angle neutron scattering
Authors: Huang Guan-Rong , Tung Chi-Huan , Chang Dongsook , Lam Christopher N. , Do Changwoo , Shinohara Yuya , Chang Shou-Yi , Wang Yangyang , Hong Kunlun , Chen Wei-Ren
Published: November 2020

Self-assembly of amphiphilic polymers in water is of fundamental and practical importance. Significant amounts of free unimers and associated micellar aggregates often coexist over a wide range of phase regions. The thermodynamic and kinetic properties of the microphase separation are closely related to the relative population density of unimers and micelles. Although the scattering technique has been employed to identify the structure of micellar aggregates as well as their time-evolution, the determination of the population ratio of micelles to unimers remains a challenging problem due to their difference in scattering power. Here, using small-angle neutron scattering (SANS), we present a comprehensive structural study of amphiphilic n-dodecyl-PNIPAm polymers, which shows a bimodal size distribution in water. By adjusting the deuterium/hydrogen ratio of water, the intra-micellar polymer and water distributions are obtained from the SANS spectra. The micellar size and number density are further determined, and the population densities of micelles and unimers are calculated to quantitatively address the degree of micellization at different temperatures. Our method can be used to provide an in-depth insight into the solution properties of microphase separation, which are present in many amphiphilic systems.
A way of resolving the order-of-limit problem of Tao–Mo semilocal functional
Authors: Patra Abhilash , Jana Subrata , Samal Prasanjit
Published: November 2020

It has been recently shown that the Tao–Mo (TM) [J. Tao and Y. Mo, Phys. Rev. Lett. 117, 073001 (2016)] semilocal exchange–correlation energy functional suffers from the order-of-limit problem, which affects the functional performance in phase transition pressures [Furness et al., J. Chem. Phys. 152, 244112 (2020)]. The root of the order-of-limit problem of the TM functional is inherent within the interpolation function, which acts as a switch between the compact density and the slowly varying density. This paper proposes a different switch function that avoids the order-of-limit problem and correctly interpolates the compact density and the slowly varying fourth-order density correction. By circumventing the order-of-limit problem, the proposed form enhances the applicability of the original TM functional on the diverse nature of solid-state properties. Our conclusion is ensured by examining the functional in predicting properties related to general-purpose solids, quantum chemistry, and phase transition pressure. Besides, we discuss the connection between the order-of-limit problem, phase transition pressure, and bandgap of solids.
Terahertz photo-generated current in a two-dimensional quantum dot system
Authors: Rodrigues Oliveira R. , da Costa D. R. , Farias G. A. , Ferreira R. , Chaves A.
Published: November 2020

The photo-generated current due to electronic transitions in a semiconductor planar quantum dot attached to outgoing leads is theoretically investigated. An electron is confined in the dot by a pure quantum mechanical effect, which is due to the higher ground state energy of the quantum wells forming the leads, as compared to the one in the dot. The dynamics of such a confined electron interacting with a light pulse is investigated by numerically solving a time-dependent Schrödinger equation within the effective mass approximation and goes beyond the lowest order perturbative approach. Our results show the coexistence of both linear and non-linear contributions to the photo-generated current in this system, sharply peaked at frequencies in the terahertz range, which are further tunable by the quantum dot radius. The peaks can be made even sharper as one adds a narrow constriction in the dot–leads connection. The details of the dependence of the peaks’ frequency, intensity, and sharpness on system parameters are discussed.