bluuebunny/crossref_metadata_2025 huggingface dataset:
Low heart rate variability from 10-s electrocardiograms is associated with development of non-alcoholic fatty liver disease
Authors: Choi In Young , Chang Yoosoo , Kang Geonggyu , Jung Hyun-Suk , Shin Hocheol , Wild Sarah H. , Byrne Christopher D. , Ryu Seungho
Published: January 2022

Reduced heart rate variability (HRV) is reflective of autonomic imbalance. However, its impact on non-alcoholic fatty liver disease (NAFLD) is unknown. We investigated the association between 10-s HRV and incident NAFLD. A cohort of 154,286 Korean adults with no NAFLD at baseline were followed up. 10-s electrocardiograms were used to estimate two time-domain HRV, the standard deviation of normal-to-normal intervals (SDNN) and the root mean square of successive differences in RR intervals (RMSSD). Hepatic steatosis (HS) and liver fibrosis were assessed using ultrasonography and the fibrosis-4 index (FIB-4). A total of 27,279 incident HS (median follow up of 4.2 years) and 1250 incident HS plus high FIB-4 (median follow up of 4.2 years) cases were identified at follow-up. The multivariable adjusted hazard ratios (aHRs) (95% confidence intervals [CIs]) in a model with time-dependent variables for incident HS, comparing the lowest quintile to the highest and reference quintile of the RMSSD, was 1.43 (1.37–1.49), and the corresponding HR for incident HS plus intermediate/high FIB-4 was 1.70 (1.35–2.15). Similarly, SDNN was inversely associated with incident HS and HS plus intermediate/high FIB-4. The results were similar using the NAFLD fibrosis score. Autonomic imbalance assessed by HRV may help to identify individuals at a high risk of HS and its progression and warrant further studies.
Objective evaluation of deep uncertainty predictions for COVID-19 detection
Authors: Asgharnezhad Hamzeh , Shamsi Afshar , Alizadehsani Roohallah , Khosravi Abbas , Nahavandi Saeid , Sani Zahra Alizadeh , Srinivasan Dipti , Islam Sheikh Mohammed Shariful
Published: January 2022

Deep neural networks (DNNs) have been widely applied for detecting COVID-19 in medical images. Existing studies mainly apply transfer learning and other data representation strategies to generate accurate point estimates. The generalization power of these networks is always questionable due to being developed using small datasets and failing to report their predictive confidence. Quantifying uncertainties associated with DNN predictions is a prerequisite for their trusted deployment in medical settings. Here we apply and evaluate three uncertainty quantification techniques for COVID-19 detection using chest X-Ray (CXR) images. The novel concept of uncertainty confusion matrix is proposed and new performance metrics for the objective evaluation of uncertainty estimates are introduced. Through comprehensive experiments, it is shown that networks pertained on CXR images outperform networks pretrained on natural image datasets such as ImageNet. Qualitatively and quantitatively evaluations also reveal that the predictive uncertainty estimates are statistically higher for erroneous predictions than correct predictions. Accordingly, uncertainty quantification methods are capable of flagging risky predictions with high uncertainty estimates. We also observe that ensemble methods more reliably capture uncertainties during the inference. DNN-based solutions for COVID-19 detection have been mainly proposed without any principled mechanism for risk mitigation. Previous studies have mainly focused on on generating single-valued predictions using pretrained DNNs. In this paper, we comprehensively apply and comparatively evaluate three uncertainty quantification techniques for COVID-19 detection using chest X-Ray images. The novel concept of uncertainty confusion matrix is proposed and new performance metrics for the objective evaluation of uncertainty estimates are introduced for the first time. Using these new uncertainty performance metrics, we quantitatively demonstrate when we could trust DNN predictions for COVID-19 detection from chest X-rays. It is important to note the proposed novel uncertainty evaluation metrics are generic and could be applied for evaluation of probabilistic forecasts in all classification problems.
Visualization of tumor heterogeneity and prediction of isocitrate dehydrogenase mutation status for human gliomas using multiparametric physiologic and metabolic MRI
Authors: Hagiwara Akifumi , Tatekawa Hiroyuki , Yao Jingwen , Raymond Catalina , Everson Richard , Patel Kunal , Mareninov Sergey , Yong William H. , Salamon Noriko , Pope Whitney B. , Nghiemphu Phioanh L. , Liau Linda M. , Cloughesy Timothy F. , Ellingson Benjamin M.
Published: January 2022

This study aimed to differentiate isocitrate dehydrogenase (IDH) mutation status with the voxel-wise clustering method of multiparametric magnetic resonance imaging (MRI) and to discover biological underpinnings of the clusters. A total of 69 patients with treatment-naïve diffuse glioma were scanned with pH-sensitive amine chemical exchange saturation transfer MRI, diffusion-weighted imaging, fluid-attenuated inversion recovery, and contrast-enhanced T1-weighted imaging at 3 T. An unsupervised two-level clustering approach was used for feature extraction from acquired images. The logarithmic ratio of the labels in each class within tumor regions was applied to a support vector machine to differentiate IDH status. The highest performance to predict IDH mutation status was found for 10-class clustering, with a mean area under the curve, accuracy, sensitivity, and specificity of 0.94, 0.91, 0.90, and 0.91, respectively. Targeted biopsies revealed that the tissues with labels 7–10 showed high expression levels of hypoxia-inducible factor 1-alpha, glucose transporter 3, and hexokinase 2, which are typical of IDH wild-type glioma, whereas those with labels 1 showed low expression of these proteins. In conclusion, A machine learning model successfully predicted the IDH mutation status of gliomas, and the resulting clusters properly reflected the metabolic status of the tumors.
Essential function of adaptor protein Nck1 in platelet-derived growth factor receptor signaling in human lens epithelial cells
Authors: Paensuwan Pussadee , Ngoenkam Jatuporn , Wangteeraprasert Apirath , Pongcharoen Sutatip
Published: January 2022

Binding of platelet-derived growth factor-BB (PDGF-BB) to its cognate receptor (PDGFR) promotes lens epithelial cell (LEC) proliferation and migration. After cataract surgery, these LEC behaviors have been proposed as an influential cause of posterior capsule opacification (PCO). Stimulated PDFGR undergoes dimerization and tyrosine phosphorylation providing docking sites for a SH2-domain-containing noncatalytic region of tyrosine kinase (Nck). Nck is an adaptor protein acting as a linker of the proximal and downstream signaling events. However, the functions of Nck1 protein in LEC have not been investigated so far. We reported here a crucial role of Nck1 protein in regulating PDGFR-mediated LEC activation using LEC with a silenced expression of Nck1 protein. The knockdown of Nck1 suppressed PDGF-BB-stimulated LEC proliferation and migration and disrupted the cell cycle progression especially G1/S transition. LEC lacking Nck1 protein failed to exhibit actin polymerization and membrane protrusions. The downregulation of Nck1 protein in LEC impaired PDGFR‐induced phosphorylation of intracellular signaling proteins, including Erk1/2, Akt, CREB and ATF1, which resulted in inhibition of LEC responses. Therefore, these data suggest that the loss of Nck1 expression may disturb LEC activation and Nck1 may potentially be a drug target to prevent PCO and lens-related disease.
Hidden silylium-type reactivity of a siloxane-based phosphonium–hydroborate ion pair
Authors: Fontana Nicolò , Espinosa-Jalapa Noel Angel , Seidl Michael , Bauer Jonathan O.
Published: January 2022

A class of heterocyclic siloxane-based phosphonium ions with hidden silylium-like reactivity is reported, thus opening up new perspectives for the design and reactivity of silylium species.
Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2
Authors: Mei Houshan , Xie Jiayue , Li Zishuo , Lou Chengming , Lei Guanglu , Liu Xianghong , Zhang Jun
Published: January 2022

Core–shell ZnO@ZIF-8 nanoarrays demonstrate remarkable electrochemical performance for detection of H2O2.
Turning the structure of the Aβ42peptide by different functionalized carbon nanotubes: a molecular dynamics simulation study
Authors: Wang Jiawen , Dong Huilong , Leng Tianle , Yu Yi , Li Youyong
Published: January 2022

With the increase of functional group number on the surface of CNTs, the structure of the Aβ42peptide is destroyed significantly, which may inhibit the abnormal aggregation of the Aβ42peptide.
Reactivity of Pd–MO2 encapsulated catalytic systems for CO oxidation
Authors: Paz Herrera Laura , Freitas de Lima e Freitas Lucas , Hong Jiyun , Hoffman Adam S. , Bare Simon R. , Nikolla Eranda , Medlin J. Will
Published: January 2022

Encapsulated Pd@metal–oxide catalysts were investigated as alternative active structures to supported materials for CO oxidation; the effect of the metal oxide (TiO2, ZrO2, and CeO2) on activity was studied and Pd@ZrO2 exhibited the highest activity.
Local and nanoscale methanol mobility in different H-FER catalysts
Authors: Porter A. J. , Botchway C. H. , Kwakye-Awuah B. , Hernandez-Tamargo C. , Matam S. K. , McHugh S. L. , Silverwood I. P. , de Leeuw N. H. , O'Malley A. J.
Published: January 2022

Methanol dynamics in commercial and natural kaolin synthesised FER zeolite catalysts were probed using quasielastic neutron scattering and molecular modelling. Significant differences are observed due to the induced changes in catalyst composition.
An aggregation-induced emissive pyridoxal derived tetradentate Schiff base for the fluorescence turn-off sensing of copper(ii) in an aqueous medium
Authors: Bhardwaj Vinita , Hindocha Lavani , Ashok Kumar SK , Sahoo Suban K
Published: January 2022

An aggregation-induced emissive pyridoxal derived tetradentate Schiff base was developed for the fluorescence sensing of copper(ii) and sulphide ions.
Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies
Authors: Liu Nian , Liu Li , Zhong Xin-Xin , Li Fa-Bao , Li Feng-Yan , Qin Hai-Mei
Published: January 2022

Complexes 4 and 5 emit yellow green delayed fluorescence and complexes 1–3 and 6 and 7 show yellow green to greenish yellow prompt fluorescence.
Fabrication of a high-efficiency CdS@TiO2@C/Ti3C2 composite photocatalyst for the degradation of TC-HCl under visible light
Authors: Ren Juanjuan , Wang Lili , Gong Qianqian , Xuan Jingyue , Sun Meiling , Zhang Qi , Zhang Haifeng , Yin Guangchao , Liu Bo
Published: January 2022

CdS@TiO2@C/Ti3C2 composites derived from Ti3C2 MXene exhibit outstanding photodegradation ability for TC-HCl under visible light irradiation.
Dynamical evolution of the Schottky barrier as a determinant contribution to electron–hole pair stabilization and photocatalysis of plasmon-induced hot carriers
Authors: Berdakin Matias , Soldano German , Bonafé Franco P. , Liubov Varlamova , Aradi Bálint , Frauenheim Thomas , Sánchez Cristián G.
Published: January 2022

We describe a photo-induced dynamic contribution to carrier separation stabilization in the Au-TiO2 system and its effects in the photocatalysis triggered by hot carriers.
The self-assembly and pyridine regulation of a hydrogen-bonded dimeric building block formed by a low-symmetric aromatic carboxylic acid
Authors: Zhang Siqi , Chen Chen , Li Jianqiao , Ma Chunyu , Li Xiaokang , Ma Wei , Zhang Min , Cheng Faliang , Deng Ke , Zeng Qingdao
Published: January 2022

In this study, the self-assembly behavior of a hydrogen-bonded dimer formed by a low-symmetric carboxylic acid molecule (H5BHB) and its co-assembly behaviors with a series of specific pyridine molecules (BPD, BPDYB and TPDYB) were studied.
A surface-nitridized 3D nickel host for lithium metal anodes with long cycling life at a high rate
Authors: Li Pan , Xu Ling , Xiong Fei , Zheng Zihang , Bao Xujian , Ren Qiang , Liu Yifan , Hu Yue , Ma Yanwen
Published: January 2022

Granularly-piled surface-nitridized Ni porous current collectors with good volume-buffering capability and robust lithiophilic interface allow their composite lithium metal anodes exhibiting remarkable long-term cycling and high-rate performance.
Diastereoselective synthesis of glycopyrans 1,2-annulated with dioxazinanes from 1,2-anhydrosugars and N-substituted nitrones
Authors: Ahmed Ajaz , Sakander Norein , Rasool Faheem , Hussain Nazar , Mukherjee Debaraj
Published: January 2022

Zinc chloride catalyzed one pot diastereoselective synthesis of sugar fused dioxazinanes from 1,2-anhydro sugars and N-substituted aromatic nitrones.
Convergent access to mono-fluoroalkene-based peptidomimetics
Authors: Larnaud Florent , Calata Charlène , Prunier Anaïs , Le Guen Clothilde , Legay Rémi , Pfund Emmanuel , Lequeux Thierry
Published: January 2022

Expeditive racemic synthesis of monofluoroalkene peptide isosteres from aldehydes and substituted aromatic sulfones is reported. The olefination reaction is highlyZ-selective from substituted aldehydes to afford transoid peptide mimic precursors.
Highly diastereoselective cascade dearomatization of 3-(2-isocyanoethyl)indoles with nitrile imines: a facile access to unexpected polycyclic indolines
Authors: Zhao Xiaohu , Zhou Yuqiao , Li Bao-Lin , Du Guangxi , Yu Zhipeng
Published: January 2022

A novel cascade annulation between 2-isocyanoethylindoles and hydrazonyl chlorides has been realized to assemble a variety of unexpected polycyclic indoline derivatives with excellent diastereoselectivities under simple reaction conditions.
Catalytic asymmetric oxidative sulfenylation of β-ketocarbonyls using a chiral primary amine
Authors: Zhang Qi , Shi Mingying , Mi Xueling , Luo Sanzhong
Published: January 2022

Enantioselective oxidative construction of a C(sp3)–S bond has been achieved using a chiral primary amine catalyst in the presence oftert-butyl hydroperoxide and a catalytic amount of tetrabutylammonium iodide.
Cyanation and cyanomethylation of trimethylammonium salts via electrochemical cleavage of C–N bonds
Authors: Kong Xianqiang , Wang Yuchang , Chen Yiyi , Chen Xiaohui , Lin Long , Cao Zhong-Yan
Published: January 2022

A practical and mild electrochemical protocol for cyanation and cyanomethylation of trimethylammonium salts has been developed.
2D graphene/FeOCl heterojunctions with enhanced tribology performance as a lubricant additive for liquid paraffin
Authors: Xie Mengxin , Pan Bingli , Li Ning , Zhao Shuang , Yan Junjiang , Guo Shihao , Chen Zhe , Wang Honggang
Published: January 2022

Graphene/FeOCl (G/FeOCl) heterojunctions were prepared by microwave-pyrolysis, thoroughly characterised and used to probe the synergistic lubrication of G with FeOCl in liquid paraffin. We provide a pathway for low-friction lubricants by deploying G/FeOCl 2D materials.
Synthesis and characterization of novel hercynite@sulfuric acid and its catalytic applications in the synthesis of polyhydroquinolines and 2,3-dihydroquinazolin-4(1H)-ones
Authors: Mohammadi Masoud , Ghorbani-Choghamarani Arash
Published: January 2022

Herein, we report the synthesis of hercynite@sulfuric acid as a novel nanomagnetic solid acid catalyst, containing the sulfuric acid catalytic sites on the surface of hercynite MNPs as the catalytic support.
Surface plasmon-driven photoelectrochemical water splitting of a Ag/TiO2 nanoplate photoanode
Authors: Peerakiatkhajohn Piangjai , Yun Jung-Ho , Butburee Teera , Nisspa Waraporn , Thaweesak Supphasin
Published: January 2022

A hybrid nanostructure Ag/TiO2 photoelectrode for PEC water splitting with a remarkable high photocurrent density, 0.35 mA cm−2 (5 fold higher than that of the pristine TiO2 photoeletrode) was fabricated by a facile one-pot hydrothermal and electrodeposition method.
Elucidation of the structural and optical properties of metal cation (Na+, K+, and Bi3+) incorporated Cs2AgInCl6double perovskite nanocrystals
Authors: Vashishtha Parth , Griffith Benjamin E. , Fang Yanan , Jaiswal Ankit , Nutan Gautam V. , Bartók Albert P. , White Tim , Hanna John V.
Published: January 2022

Potassium substituted double perovskite nanocrystals of the form Cs2KxAg1−xInCl6:Bi (x= 0–1) exhibit improved PLQY behaviour and structural diversity.
Voltage plateau variation in a bismuth-potassium battery
Authors: Yao Xuhui , Olsson Emilia , Zhao Jun , Feng Wencong , Luo Wen , Tan Shuangshuang , Huang Meng , Zhao Yunlong , Huang Jianyu , Cai Qiong , Mai Liqiang
Published: January 2022

Experimental and computational study of the electrode evolutions in a bismuth-potassium battery reveals that the voltage plateau variation results from intermediate phases and structural collapse.
Fabrication of impermeable dense architecture containing covalently stitched graphene oxide/boron nitride hybrid nanofiller reinforced semi-interpenetrating network for hydrogen gas barrier applications
Authors: Saha Subhabrata , Son Wansu , Kim Nam Hoon , Lee Joong Hee
Published: January 2022

The GO-BN hybrid nanofiller reinforced TPU/epoxy semi-interpenetrating network provided an excellent H2barrier coating along with superior adhesion for the nylon 6 based compressed H2storage vessels.
CO oxidation on MgAl2O4 supported Irn: activation of lattice oxygen in the subnanometer regime and emergence of nuclearity-activity volcano
Authors: Lu Yubing , Thompson Coogan , Kuo Chun-Te , Zhang Xiwen , Hoffman Adam S. , Boubnov Alexey , Bare Simon R. , Kovarik Libor , Xin Hongliang , Karim Ayman M.
Published: January 2022

Ir subnanometer clusters activate surface oxygen on a traditionally non-reducible MgAl2O4 support which leads to a more active two-site mechanism during low-temperature CO oxidation.
Recent advances in oriented metal–organic frameworks for supercapacitive energy storage
Authors: Hussain Iftikhar , Iqbal Sarmad , Lamiel Charmaine , Alfantazi Akram , Zhang Kaili
Published: January 2022

The recent advances in oriented MOFs as electrode materials and solution to poor conductivity as well as random orientations have been discussed.
H2O and CO2 surface contamination of the lithium garnet Li7La3Zr2O12 solid electrolyte
Authors: Li Yuheng , Prabhu Asmee M. , Choksi Tej S. , Canepa Pieremanuele
Published: January 2022

Surface contamination of the lithium garnet Li7La3Zr2O12 (LLZO) solid electrolyte in humid air as a case for catalysis on complex oxides.
Visualizing local fast ionic conduction pathways in nanocrystalline lanthanum manganite by isotope exchange-atom probe tomography
Authors: Chiabrera Francesco , Baiutti Federico , Diercks David , Cavallaro Andrea , Aguadero Ainara , Morata Alex , Tarancón Albert
Published: January 2022

The study of the oxygen incorporation and diffusion in lanthanum manganite thin films is presented by means of novel isotope-exchange atom probe tomography, allowing a direct quantification of the enhancement of grain boundaries' oxygen kinetics.
Sustainable plasma polymer encapsulation materials for organic solar cells
Authors: Kamel Michael S. A. , Oelgemöller Michael , Jacob Mohan V.
Published: January 2022

Radio frequency (RF) plasma polymerization of plant extracts offers an effective large scale encapsulation method for organic photovoltaics (OPVs).
Shaping and enhancing the photoluminescence of halide perovskite quantum dots with plasmonic lattices
Authors: Mendoza-Sandoval Elizabeth , Rodríguez-López Germán , Ordóñez-Romero Cesar L. , Ley David , Qureshi Naser , Urbánek Michal , Solis-Ibarra Diego , Noguez Cecilia , Lara-García Hugo A. , Pirruccio Giuseppe
Published: January 2022

We experimentally demonstrate that the photoluminescence of halide perovskite quantum dots can be enhanced and beamed into preferential directions by coupling them with plasmonic lattices sustaining collective optical resonances.
Highly stable and efficient deep-red phosphorescent organic light-emitting devices using a phenanthroline derivative as an n-type exciplex host partner
Authors: Tsuneyama Hisaki , Sasabe Hisahiro , Saito Yu , Noda Taito , Saito Daiki , Kido Junji
Published: January 2022

A new entry of nBPhen-based n-type exciplex host partner realizes high efficiency and highly stable deep red phosphorescent organic light-emitting devices with an emission peak wavelength of 670 nm, and maximum external quantum efficiency of 17%.
A digital clock and data strobe aligner for write calibration of dynamic random access memory
Authors: Jung Chae‐Young , Lee Won‐Young
Published: January 2022

This paper proposes a digital clock and data strobe aligner for write calibration of dynamic random access memory (DRAM). The edge recognizer determines the input phase skew between a falling edge of clock and a rising edge of data strobe (DQS) signal to maximize setup and hold margins of DQS and clock synchronization. According to experimental results, the proposed circuit achieves the minimum and maximum output skews are −6.9 ps and 7.5 ps when DQS skews of ±227 ps are applied. The chip has been fabricated in 180 nm CMOS technology and the active chip area is 0.091 mm2.
Excitation of ion-acoustic waves by non-linear finite-amplitude standing Alfvén waves
Authors: Terradas Jaume , Viñas Adolfo F. , Araneda Jaime A.
Published: January 2022

We investigate, using a multi-fluid approach, the main properties of standing ion-acoustic modes driven by non-linear standing Alfvén waves. The standing character of the Alfvénic pump is due to the superposition of two identical circularly polarised counter-propagating waves. We consider parallel propagation along the constant magnetic field and we find that left- and right-handed modes generate via ponderomotive forces the second harmonic of standing ion-acoustic waves. We demonstrate that parametric instabilities are not relevant in the present problem and the secondary ion-acoustic waves attenuate by Landau damping in the absence of any other dissipative process. Kinetic effects are included in our model where ions are considered as particles and electrons as a massless fluid, and hybrid simulations are used to complement the theoretical results. Analytical expressions are obtained for the time evolution of the different physical variables in the absence of Landau damping. From the hybrid simulations we find that the attenuation of the generated ion-acoustic waves follows the theoretical predictions even under the presence of an Alfvénic pump. Due to the non-linear induced ion-acoustic waves the system develops density cavities and an electric field parallel to the magnetic field. Theoretical expressions for this density and electric field fluctuations are derived. The implications of these results in the context of standing slow mode oscillations in coronal loops is discussed.
Investigation of Vibrations Energy Harvesting from Passive Car Suspension Using Quarter Car Model Under Bump Excitation
Authors: Benhiba Ayoub , Bybi Abdelmajid , Alla Rajae , Hilal Drissi , Chater El Ayachi
Published: January 2022

This paper aims to evaluate the voltage and the electrical power harvested from the car suspension system under bump excitation using a piezoelectric stack. For this purpose, a quarter car system equipped with a piezoelectric stack installed parallel to the suspension's damper is modelled and investigated in temporal domain using MATLAB/Simulink. The studied system is excited, considering different bump amplitudes to evaluate the harvested voltage and power at different speeds. The effect of the suspension's damping coefficient on the harvested voltage and power is also studied and quantified.
Energy Utilization and Transmission Delay Optimization in Cox VANET networks
Authors: Boumaalif Adil , Zytoune Ouadoudi
Published: January 2022

Among the challenges in VANETs networks there is power control, which permits to achieve better permformance in terms of Signal to Interference plus Noise Ratio (SINR), Energy Efficiency (EE), Energy Utilization (EU),... Another important point to address is the transmition delay, which we should adapt it to be under an acceptable threshold. For that, we model the network as a Cox Line-Point process, and the transmitter as an M/D/1 queue server. To solve this tradeoff problem, we use machine learning techniques, especialy Q learning algorithm. It is shown , via simulations, that through our algorithm, the vehicular transmitter be able to learn its transmit power in an autonomous way, and achieve better performance for the energy utilization rate, the system waiting time and the area spectral efficiency.
Energy Harvesting in wireless communication: A survey
Authors: Yakine Fadoua , Kenzi Adil
Published: January 2022

Wireless Sensor Network is an emerging technology that has the potential to be used in futuristic applications. Sensor nodes are energy-constrained. They rely on batteries with limited capacity which impact their lifetime or mobility. To address this problem, energy harvesting technology is a solution that aims to avoid the premature energy depletion of nodes. It recharges their batteries using an energy harvesting system from the environment. In this review work, we present the concept of energy harvesting technology (EH) and Energy-Harvesting for Wireless Sensor Network (EH-WSN). We then discuss many schemes in the literature to save energy consumption of the energy harvesting sensor networks. We study their protocol design strategies and working principals. We also summarize their merits, demerits along with some future research directions.
Characterization of blast furnace dust for reintroduction into the agglomeration process
Authors: Toniţă Vasilica Viorica , Cârâc Geta , Teodor Virgil Gabriel
Published: January 2022

Significant amounts of dust from the processing of cast iron in the furnace can be considered as by-products for the technological flow from the agglomeration, having an adequate chemical and structural composition. Blast furnace dust contains significant amounts of metals and non-metals that can be recovered by various processing methods. The transformation of these recyclable materials for reuse into metal producing units is essential not only for the conservation of mineral resources but also for the protection of the environment. This paper presents the chemical and mineralogical characterization of blast furnace dust resulting from the processing of cast iron, a useful analysis for this material to be reintroduced into the agglomeration process. From the obtained results it was found that the blast furnace dust contains significant amounts of SiO2 in fine granular form (<1 mm) which determines a fluidization of the slag resulting from the production of cast iron in the blast furnace, as well as the fact that it helps to form the binder phases in the agglomerate due to the fact that the powders have a high thermo-chemical activity that can be considered a first phase of formation of the initial liquid melt that triggers the reaction between melt and solid.
Geographical, Environmental and Anthropogenic Factors Affecting the Occurrence of Wintering Eurasian Spoonbills (Platalea leucorodia) in Morocco
Authors: Cherkaoui Sidi Imad , El Hammoumi Rhimou , Rihane Abdeslam , El Youssfi Lahcen , Aghzar Adil , Dakki Mohammed
Published: January 2022

Investigating habitat selection and ecological factors trade-offs is a major avian ecology topic which is closely implicated for conservation purposes. Studies dealing with the impacts of ecological factors on wintering Spoonbills are overall scarce. Here, we used Principal Component Analyses (PCA) and Generalized Linear Mixed Models (GLMM) to test the relevance of geographical, environmental and anthropogenic factors in predicting the occupancy and abundance of the Eurasian spoonbills (Platalea leucorodia) during 2008-2011 within 28 Moroccan wetlands. The Eurasian Spoonbill mean annual occurrence was 59.2% (± 1.5% SE; 95%CI: 56.3%-62.1%). Among the occupied wetlands, 15 (83.3%) were regularly occupied. We found that the Eurasian spoonbill occurrence was negatively related to distance to coastline, altitude and human presence, whereas its abundance increased significantly with increasing mudflat areas. These findings highlight the significant effect of human presence in selecting wintering sites, but not in the prediction of abundance. Management strategies should therefore address specific attributes of coastal wetlands and should carefully consider the effects of habitat use especially those related to mudflats. We further suggest guidelines for future studies to understand the dynamic of Eurasian spoonbills wintering in the region.
Investigation of the Response of onion (Allium Cepa L.) to continuous deficit irrigation as smart approaches to crop irrigation under Mediterranean conditions
Authors: Abouabdillah Aziz , El Bergui Omnia , Bouabid Rachid , Bourioug Mohamed , Brouziyne Youssef , El Jaouhari Nabil , Bouaziz Ahmed
Published: January 2022

Water is a crucial resource for food production and its scarcity associated with frequent droughts has increased the need for a more efficient use of it along with new irrigation management technologies. This study addressed onion crop responses to continuous deficit irrigation with trigging thresholds of readily available water content. The experiment was conducted on an experimental plot in open field in Morocco. Three water regimes were applied T1 control (100%), T2 (75%) and T3 (50%) of crop evapotranspiration ETc combined with two trigging thresholds (10% and 5%). This is a complete random block device with four repetitions. The measurements concerned the monitoring of vegetative, Eco physiological and yield parameters. The results obtained show that: (i) 100% ETc irrigation at a threshold of 5% of RAW recorded the maximum bulb diameter and weight, thus achieving the best marketable bulb yields. However, in terms of yields, this treatment is not significantly different from the other irrigation regimes with the exception of the irrigated treatment at 50% daily ETc and at a threshold of 10% RAW. The latter recorded the lowest values in terms of production parameters. (ii) For the ecophysiological parameters, significant effects of irrigation dose were observed for proline content, stomatal conductance and leaf temperature, and the effect of the trigging threshold was clearly observed for the moisture content of the leaves. (iii) Water restrictions have minimized the rate of premature run and population density of Thrips tabaci in the onion. (iv) Finally, the best agronomic efficiencies in the use of irrigation water were recorded in treatments with a water restriction of 50%.
Study on the Single Toxicity of Five Azole Fungicides for Green Algae
Authors: Dai Yilun , Shen Jianglong , Sun Yutong , Li Yanan
Published: January 2022

Azole fungicides are widely used to control diseases and insect pests of vegetables, fruits and flowers because of their good antibacterial effect and regulating plant growth. However, their extensive use inevitably enters the water environment with rainfall and surface runoff, which leads to potential harm to aquatic organisms. At present, the research on the biological toxicity of azole fungicides mainly focuses on single azole compounds, such as Paclobutrazol, hexaconazole, propiconazole and Difenoconazole. However, the systematic study on the toxic effects of multi-component mixtures of azole fungicides is still very lacking, and it is unable to accurately assess the ecological risk. Therefore, in this paper, five common azole fungicides (imidazole, tebuconazole, triadimefon, tricyclazole and hymexazol) in the environment were taken as target pollutants. Scenedesmus obliquus was used as the toxicity indicator. The mixture system was designed by the equal effect concentration ratio method and linear average ray method. Study the 96h toxicity and interaction of Scenedesmus obliquus under combined stress of azole fungicides. The main research results are as follows:The 96 h toxicity test of five typical azole fungicides to Scenedesmus obliquus was determined by microplate toxicity analysis method. Fitting with Weibull function and taking EC50 as the criterion,the results show that the single toxicity order of the five tested fungicides was:tebuconazole > Triadimefon > oxacillin > Tricyclazole > imidazole.
Mass Estimation of Planck Galaxy Clusters using Deep Learning
Authors: de Andres Daniel , Cui Weiguang , Ruppin Florian , De Petris Marco , Yepes Gustavo , Lahouli Ichraf , Aversano Gianmarco , Dupuis Romain , Jarraya Mahmoud
Published: January 2022

Galaxy cluster masses can be inferred indirectly using measurements from X-ray band, Sunyaev-Zeldovich (SZ) effect signal or optical observations. Unfortunately, all of them are affected by some bias. Alternatively, we provide an independent estimation of the cluster masses from the Planck PSZ2 catalog of galaxy clusters using a machine-learning method. We train a Convolutional Neural Network (CNN) model with the mock SZ observations from The Three Hundred (the300) hydrodynamic simulations to infer the cluster masses from the real maps of the Planck clusters. The advantage of the CNN is that no assumption on a priory symmetry in the cluster’s gas distribution or no additional hypothesis about the cluster physical state are made. We compare the cluster masses from the CNN model with those derived by Planck and conclude that the presence of a mass bias is compatible with the simulation results.
CMB at small scales: Cosmology from tSZ power spectrum
Authors: Douspis Marian , Salvati Laura , Gorce Adélie , Aghanim Nabila
Published: January 2022

Small scale CMB angular power spectrum contains not only primordial CMB information but also many contaminants coming from secondary anisotropies. Most of the latter depend on the cosmological model but are often marginalised over. We propose a new analysis of the SPT data focusing on the cosmological contribution of the thermal Sunyaev Zel’dovich (tSZ) effect. We model the tSZ angular spectrum with the halo model and train a random forest algorithm to speed up its computation. We show that using the cosmological information of the tSZ on top of the primordial CMB one contained in SPT data bring more constraints on cosmological parameters. We also combine for the first time Planck tSZ angular power spectrum with SPT ones to put further constraints. This proof of concept study shows how much a proper modelling of the foregrounds in the cosmological analyses is needed.
An indicator of porosity through simulation of melt pool volume in aluminum wire arc additive manufacturing
Authors: Béraud Nicolas , Chergui Akram , Limousin Maxime , Villeneuve François , Vignat Frédéric
Published: January 2022

Managing the quality of functional parts is a key challenge in wire arc additive manufacturing. In case of additive production of aluminum parts, porosity is one of the main limitations of this process. This paper provides an indicator of porosity through the simulation of melt pool volume in aluminum wire arc additive manufacturing. First, a review of porosity formation during WAAM process is presented. This review leads to the proposal of this article: monitoring the porosity inside produced part can be achieved through the melt pool volume monitoring. An adapted Finite Element model is then proposed to determine the evolution of the melt pool volume throughout the manufacturing process of the part. This model is validated by experimental temperature measurement. Then, in order to study the link between the porosity and the melt pool volume, two test parts are chosen to access to two different pore distributions. These two parts are simulated and produced. The porosity rates of produced parts are then measured by X-ray tomography and compared to the simulated melt pool volumes. The analysis of the results highlights the interest of the melt pool volume as a predictive indicator of the porosity rate.
Pinellic Acid Isolated from Quercetin-rich Onions has a Peroxisome Proliferator-Activated Receptor-Alpha/Gamma (PPAR-α/γ) Transactivation Activity
Authors: Doi Mikio , Morita Naoki , Okuzawa Tsugumi , Ohgiya Satoru , Okamoto Daisaku , Sato Kenichi , Ito Yukiya , Matsuura Hideyuki , Hashidoko Yasuyuki
Published: January 2022

Quercetin, a flavonol, is a functional compound that is abundant in onions and is known to have antioxidant and anti-inflammatory effects. Quercetin and its glucoside are known to function as peroxisome proliferator-activated receptor (PPAR) ligands and showed high PPAR-α transactivation activity but little PPAR-γ transactivation activity in some reports. In this study, we demonstrated that an aqueous extract of a quercetin-rich onion cultivar increased transactivation activities not only of PPAR-α but also of PPAR-γ. We isolated (9S,12S,13S)-(10E)-9,12,13-trihydroxyoctadec-10-enoic acid (pinellic acid) obtained from the aqueous extract using PPAR-γ transactivation as an index. Furthermore, it was revealed that pinellic acid could transactivate PPAR-α. Our findings are the first report mentioned showing that trihydroxyoctadec-10-enoic acids showed PPAR-α/γ transactivation activities.
Microwave-Assisted Aminoalkylation of Phenols via Mustard Carbonate Analogues
Authors: Aricò Fabio , Viviano Monica , Trapasso Giacomo , Annatelli Mattia , Milite Ciro , Castellano Sabrina
Published: January 2022

A microwave-assisted chlorine-free direct phenol substitution is presented, which is indicated as a key green chemistry research area for pharmaceuticals manufacturers. The reaction of β-aminocarbonates (mustard carbonates) with several substituted phenols in the presence of a polar solvent (acetonitrile or butanol) led to the related aminoalkylated products via the anchimeric assistance of the nitrogen incorporated in the organic carbonate backbone. The aminoalkylation required short reaction time (7 min) and the related products were isolated in high yields (>90%) via quick liquid-liquid extraction or column chromatography depending on the solvent employed. Furthermore, microwave irradiation also promoted the one-pot aminoalkylation of phenol in excellent yield. In this approach a β-aminoalcohol was reacted with phenol in the presence of diethyl carbonate, used for the in situ formation β-aminocarbonate, key intermediate in the consequent anchimerically driven alkylation. The resulting product, namely N,N-dimethyl-2-phenoxyethanamine, was isolated as pure in almost quantitative yield.
Rectovaginal Fistula in Crohn's Disease: When and How to Operate?
Authors: Meyer Jeremy , Ris Frédéric , Parkes Miles , Davies Justin
Published: January 2022

Rectovaginal fistula (RVF) occurring during the course of Crohn's disease (CD) constitutes a therapeutic challenge and is characterized by a high rate of recurrence. To optimize the outcome of CD-related RVF repair, the best conditions for correct healing should be obtained. Remission of CD should be achieved with no active proctitis, the perianal CD activity should be minimized, and local septic complications should be controlled. The objective of surgical repair is to close the fistula tract with minimal recurrence and functional disturbance. Several therapeutic strategies exist and the approach should be tailored to the anatomy of the RVF and the quality of the local supporting tissues. Herein, we review the medical and surgical management of CD-related RVF.
Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities
Authors: Graham Daniel S. , Wen Xuelan , Chulhai Dhabih V. , Goodpaster Jason D.
Published: January 2022

We demonstrate the accuracy and efficiency of the restricted open-shell and unrestricted formulation of the absolutely localized Huzinaga projection operator embedding method. Restricted open-shell and unrestricted Huzinaga projection embedding in the full system basis is formally exact to restricted open-shell and unrestricted Kohn–Sham density functional theory, respectively. By utilizing the absolutely localized basis, we significantly improve the efficiency of the method while maintaining high accuracy. Furthermore, the absolutely localized basis allows for high accuracy open-shell wave function methods to be embedded into a closed-shell density functional theory environment. The open-shell embedding method is shown to calculate electronic energies of a variety of systems to within 1 kcal/mol accuracy of the full system wave function result. For certain highly localized reactions, such as spin transition energies on transition metals, we find that very few atoms are necessary to include in the wave function region in order to achieve the desired accuracy. This extension further broadens the applicability of our absolutely localized Huzinaga level-shift projection operator method to include open-shell species. Here, we apply our method to several representative examples, such as spin splitting energies, catalysis on transition metals, and radical reactions.
Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
Authors: Liebenthal Marcus D. , Vu Nam , DePrince A. Eugene
Published: January 2022

The electron attachment variant of equation-of-motion coupled-cluster theory (EOM-EA-CC) is generalized to the case of strong light–matter coupling within the framework of cavity quantum electrodynamics (QED). The resulting EOM-EA-QED-CC formalism provides an ab initio, correlated, and non-perturbative description of cavity-induced effects in many-electron systems that complements other recently proposed cavity-QED-based extensions of CC theory. Importantly, this work demonstrates that QED generalizations of EOM-CC theory are useful frameworks for exploring particle-non-conserving sectors of Fock space, thereby establishing a path forward for the simultaneous description of both strong electron–electron and electron–photon correlation effects.
Molecular diversity and nutriment studies of common bean (
Authors: Choudhary Neeraj , Anjali  , Gupta Moni , Shafi Safoora , Jan Sofora , Hamid Mir Asma , Singh Bikram , Rouf Mir Reyazul
Published: January 2022

The diverse microclimatic belts of the Western Himalayan region of India are considered hot spots for genetic diversity of common bean (Phaseolus vulgaris L.). Western Himalayan beans are known for various agronomically superior/important traits including unique aroma, taste and cooking quality. In the present study, 25 unlinked genomic simple sequence repeat (SSR) markers distributed across the common bean genome were used to assess the genetic/allelic diversity among and within populations belonging to the Jammu and Kashmir regions of the Western Himalayas. These two regions are considered most important hot-spots for common bean diversity in western-Himalayas. The analysis of genotypic data of SSR markers revealed a total of 263 alleles with an average of 10.52 alleles per locus. The genetic diversity analysis revealed higher variability in bean landraces belonging to Jammu region (He = 0.73) as compared to genotypes from Kashmir region (He = 0.647) and some exotic genotypes (0.71). The genotypes were also phenotyped for four important nutritional traits and the analysis of trait data revealed that sugar content was highest in common bean genotypes from Jammu region, while protein, starch and phenol content were highest in exotic common bean genotypes. Therefore, the superiority of common bean germplasm from Jammu region may be due to a higher level of allelic diversity, more private alleles and higher sugar content. The diverse genotypes based on genotypic data and trait performance will prove useful in future breeding programs aimed at enhancing nutritional contents of common bean varieties.
Amyand David Buckingham 1930–2021
Authors: Clary Sir David C. , Orr Brian J.
Published: January 2022

Professor A. David Buckingham CBE FRS FAA made fundamental theoretical and experimental contributions to the understanding of optical, electric and magnetic properties of molecules. Born in Australia, he was an undergraduate at the University of Sydney and took his PhD at the University of Cambridge, UK. He moved to Oxford in 1955 and then in 1965 became Professor of Theoretical Chemistry at the University of Bristol. Finally, he moved back to Cambridge in 1969 for twenty-eight years as Professor of Chemistry and head of a distinguished Department of Theoretical Chemistry. A man of broad interests and achievements, he played first class cricket in the 1950s.
Trade-offs between bycatch and target catches in static versus dynamic fishery closures
Authors: Pons Maite , Watson Jordan T. , Ovando Daniel , Andraka Sandra , Brodie Stephanie , Domingo Andrés , Fitchett Mark , Forselledo Rodrigo , Hall Martin , Hazen Elliott L. , Jannot Jason E. , Herrera Miguel , Jiménez Sebastián , Kaplan David M. , Kerwath Sven , Lopez Jon , McVeigh Jon , Pacheco Lucas , Rendon Liliana , Richerson Kate , Sant’Ana Rodrigo , Sharma Rishi , Smith James A. , Somers Kayleigh , Hilborn Ray
Published: January 2022

Significance

The incidental catch of threatened species is still one of the main barriers to fisheries sustainability. What would happen if we closed 30% of the ocean to fishing with the goal of reducing bycatch? Analyzing 15 different fisheries around the globe, we found that under static area management, such as classic no-take marine area closures, observed bycatch could be reduced by 16%. However, under dynamic ocean management based on observed bycatch and closing the same total area but fragmented in smaller areas that can move year to year, that reduction can increase up to 57% at minimal or no loss of target catch.
La2Pd2In: superconductivity and lattice properties at ambient and elevated pressures
Authors: Král P , Diviš M , Havela L , Proschek P , Doležal P , Kaštil J , Vondráčková B , Prchal J
Published: January 2022

Lattice and electronic properties of La2Pd2In were studied at ambient and elevated pressures so as to determine features related to a specific atomic coordination without any influence of magnetism. We describe temperature dependences of lattice parameters, heat capacity and electrical resistivity of single-crystalline La2Pd2In (s.g. P4/mbm) in a broad temperature range 0.09–300 K. Together with the anisotropic effect of hydrostatic pressure, showing that the lattice is more compressible in the basal plane, we can conclude that the lattice is affected by degrees of freedom of the La atoms with positions not imposed by symmetry. The lattice anisotropy is smaller than that found for isostructural ferromagnet Ce2Pd2In. The equilibrium bulk modulus B
0 = (48 ± 3) GPa was determined on the basis of individual linear compressibilities. Measurement of electrical resistivity indicated a superconducting state below T = 0.59 K with a low critical field 0.005 T at T = 380 mK. The onset of superconducting state as a bulk property of La2Pd2In was confirmed by measurements of specific heat and AC magnetic susceptibility. Experimental data can be accounted by first-principles electronic-structure calculations based on density-functional theory. The measured Sommerfeld coefficient γ = 10.6 mJ mol−1 K−2, only marginally exceeding the calculated γ = 9.34 mJ mol−1 K−2, indicates only weak electronic correlations.