bluuebunny/crossref_metadata_2025 huggingface dataset:
Multilayer network analysis of FMD transmission and containment among beef cattle farms
Authors: Yi Chunlin , Yang Qihui , Scoglio Caterina M.
Published: September 2022

As a highly contagious livestock viral disease, foot-and-mouth disease poses a great threat to the beef-cattle industry. Direct animal movement is always considered as a major route for between-farm transmission of FMD virus. Sharing contaminated equipment and vehicles have also attracted increasing interests as an indirect but considerable route for FMD virus transmission. With the rapid development of communication technologies, information-sharing techniques have been used to control epidemics. In this paper, we built farm-level time-series three-layer networks to simulate the between-farm FMD virus transmission in southwest Kansas by cattle movements (direct-contact layer) and truck visits (indirect-contact layer) and evaluate the impact of information-sharing techniques (information-sharing layer) on mitigating the epidemic. Here, the information-sharing network is defined as the structure that enables the quarantine of farms that are connected with infected farms. When a farm is infected, its infection status is shared with the neighboring farms in the information-sharing network, which in turn become quarantined. The results show that truck visits can enlarge the epidemic size and prolong the epidemic duration of the FMD outbreak by cattle movements, and that the information-sharing technique is able to mitigate the epidemic. The mitigation effect of the information-sharing network varies with the information-sharing network topology and different participation levels. In general, an increased participation leads to a decreased epidemic size and an increased quarantine size. We compared the mitigation performance of three different information-sharing networks (random network, contact-based network, and distance-based network) and found the outbreak on the network with contact-based information-sharing layer has the smallest epidemic size under almost any participation level and smallest quarantine size with high participation. Furthermore, we explored the potential economic loss from the infection and the quarantine. By varying the ratio of the average loss of quarantine to the loss of infection, we found high participation results in reduced economic losses under the realistic assumption that culling costs are much greater than quarantine costs.
Development and verification of an immune-related gene prognostic index for gastric cancer
Authors: Zhang Chen , Liu Tao , Wang Jian , Zhang JianTao
Published: September 2022

Immune checkpoint inhibitor (ICI) therapy is an emerging and effective approach to the treatment of gastric cancer (GC). However, the low response rate of GC patients to ICI therapy is a major limitation of ICI therapy. We investigated the transcriptomic signature of immune genes in GC could provide a comprehensive understanding of the tumor microenvironment (TME) and identify a valuable biomarker to predict the response of GC patients receiving immunotherapy. We performed the weighted gene co-expression network analysis (WGCNA) to determine immune-related hub genes that differentially expressed in the GC dataset based on The Cancer Genome Atlas (TCGA). After that, univariate and multivariate Cox regression was performed to recognize prognostic genes associated with overall survival and to develop an immune-related gene prognostic index (IRGPI). Furthermore, we explored the possible correlation between IRGPI and immune cell infiltration and immunotherapy efficacy. Notably, IRGPI can predict the prognosis of GC patients, as well as the response to immunotherapy. IRGPI as an immune-related prognostic biomarker might bring some potential implications for immunotherapy strategies in GC.
Association between quality of life, sleep quality and mental disorders in Iranian older adults
Authors: Khorshidi Ali , Rostamkhani Marzieh , Farokhi Roya , Abbasi-Ghahramanloo Abbas
Published: September 2022

Aging as a major challenge can affect the development and growth of countries all around the world. This study aimed to identify the subgroups of the elderly based on the quality of life (Qol), sleep quality, and common mental disorders and assess the role of demographic characteristics on the membership of participants in each latent class. This cross-sectional study was conducted on 1064 people over the age of 60 years. The sample was selected through cluster sampling in northern Iran. All participants completed six sets of checklists and questionnaires. Data analysis was performed using latent class analysis. Three latent classes were identified; namely, (1) healthy (66.8%), (2) anxious and with poor sleep quality (28.6%), and unhealthy (4.6%). Being Female significantly increased the odds of membership in classes 2 and 3 compared to class 1. Furthermore, living in urban areas increased the odds of belonging to class 2 and class 3 compared to class 1. Illiteracy was also shown to increase the odds of being in class 3 in comparison to class 1. Results from the present indicate that the co-occurrence of health problems in 33.2% of the elderly was observed in various forms. The results of this study can be used in prioritizing health programs for the elderly and emphasizing high-risk groups.
Fundamental insight into critical phenomena in condensation growth of nanoparticles in a flame
Authors: Altman Igor , Fomenko Elena , Agranovski Igor E.
Published: September 2022

The paper deals with the gas-phase formation of nanoparticles that is a fundamental process responsible for the condensed matter in the Universe, which also attracts attention due to its involvement in the particle synthesis for various nanotechnology applications. Previously reported results on MgO nano-oxides formed by Mg combustion showed a unique phenomenon coined “the condensation stagnation” that is the occurrence of critical clusters with suppressed growth. Here we focus on the effect of an external ionizer on this condensation growth stagnation. We show that the condensation stagnation occurring in the Mg particle flame subjected to a positive ion flux is similar to that in the unaffected flame. In contrast, applying negative charging significantly influences the state of stagnation of the system, i.e., no critical clusters are observed in the products sampled from the flame. The discovered critical behavior of the state of stagnation is explained in terms of the heat transfer between the condensed MgO nanoparticles and the surrounding gas, which efficiency depends on the sign of the nanoparticle charge. This dependence of the heat transfer efficiency on the nanoparticle charge is a new fundamental effect that should become the basis for accurate modeling in two-phase high-temperature systems.
Epigenomics of Type 2 Diabetes
Authors: Parveen A. Nazia , Dhawan B. Sangeeta
Published: September 2022

This chapter covers the advances made in epigenomics of type 2 diabetes, and how such work has elucidated the epigenetic underpinnings of this disease and its multiple complications. It discusses the developmental basis of diabetes, the causal role of gene–environment interactions in diabetes risk and pathogenesis, epigenetic dysregulation in multiple metabolic tissues, and the nanobiology of cell–cell communication in perpetuating such disease-relevant epigenetic changes. Finally, it delves into the translational potential of such studies on the development of biomarkers and therapeutic approaches for type 2 diabetes.
Desorption trends of small alcohols and the disruption of intermolecular interactions at defect sites on Au(111)
Authors: Maxwell Eric M. , Garber Lyssa A. , Rogers Clayton J. , Galgano Ava J. , Baker Jordon S. , Kaleem Hasan , Boyle David T. , Berry Jessica L. , Baber Ashleigh E.
Published: September 2022

Temperature programmed desorption experiments shed light on the intermolecular interactions between small C1–C4 alcohols and the adsorption at natural defect sites including step edges and kink sites.
Recent advances in small molecular near-infrared fluorescence probes for a targeted diagnosis of the Alzheimer disease
Authors: Liu Yue , Zhuang Danping , Wang Jingjing , Huang Haiyan , Li Ruichang , Wu Chaoyong , Deng Yuanfei , Hu Genwen , Guo Bing
Published: September 2022

Near-infrared small molecular fluorescence probes for targeted diagnosis of Alzheimer's disease.
Highly selective hydrogenation of dimethyl oxalate to methyl glycolate and ethylene glycol over an amino-assisted Ru-based catalyst
Authors: Song Lei , He Yan , Zhou Changan , Shu Guoqiang , Ma Kui , Yue Hairong
Published: September 2022

A Ru/NH2-MCM-41 catalyst was prepared via a coordination-assisted strategy for highly chemoselective hydrogenation of dimethyl oxalate to methyl glycolate (ca. 100%) and ethylene glycol (>90%) at low reaction temperature (343–433 K).
Regioselective peri-C–H selenylation of aromatic compounds with weakly coordinating ketone groups
Authors: Duan Bingbing , Wu Yao , Gao Yi , Ying Linkun , Tang Jielin , Hu Shiyu , Zhao Qiuhua , Song Zengqiang
Published: September 2022

The first method for the preparation of 5-selenyl chromones has been developed via regioselective selenation of chromones with diselenides under Ru(ii) catalysis, this protocol is also applicable for other (hetero)arenes bearing ketone groups.
An azobenzene-modified redox-active ionic liquid electrolyte for supercapacitors
Authors: Zhao Yuhua , Chen Yujuan , Zhuo Kelei , Du Quanzhou , Sun Dong , Li Zhiyong , Wang Huiyong , Yan Changling , Wang Jianji
Published: September 2022

An azobenzene-modified redox-active ionic liquid (IL) is demonstrated. It is incorporated into another IL to form a mixed electrolyte, which markedly improves the capacitance performance of supercapacitors via extra pseudocapacitance contribution.
An advanced primary explosive and secondary explosive based on a zwitterionic pyrazole–triazole derivative
Authors: Tang Jie , Xiong Hualin , Zhang Guojie , Tang Yongxing , Yang Hongwei , Cheng Guangbin
Published: September 2022

Two zwitterionic energetic materials containing a pyrazole–triazole backbone were synthesized and fully characterized.
Ligand non-innocence allows isolation of a neutral and terminal niobium nitride
Authors: Senthil Shuruthi , Kwon Seongyeon , Im Hoyoung , Gau Michael R. , Baik Mu-Hyun , Mindiola Daniel J.
Published: September 2022

A neutral and mononuclear niobium nitride complex (PNP)NbN(N[tBu]Ar) (PNP− = N[2-PiPr2-4-methylphenyl]2) can be isolated using the redox-active properties of the [PNP]− ligand.
Comparison of the hydrogen extraction reactions of isopentane molecules and ions
Authors: Gao Yi , Yang Bin , Zhao Yang
Published: September 2022

Mechanism of the H-atom abstraction reaction of (a) C5H12 and (b) C5H12+.
Photo-induced reversible nitric oxide capture by Fe–M(CO2H)4 (M = Co, Ni, Cu) as a building block of mixed-metal BTC-based MOFs
Authors: Jabri Azadeh Yeganeh , Mohajeri Afshan
Published: September 2022

Metal–organic frameworks incorporating mixed-metal sites (MM-MOFs) have emerged as promising candidates in the development of sensing platforms for the detection of paramagnetic species.
Quantitative kinetics for the atmospheric reactions of Criegee intermediates with acetonitrile
Authors: Zhang Yu-Qiong , Xia Yu , Long Bo
Published: September 2022

The reactions of CH2OO and anti-CH3CHOO with CH3CN reactions can contribute to significant acetonitrile sinks, leading to the formation of N-formylacetamide and diacetamide in the atmosphere.
Dual functionality of surface plasmon resonance and barrier layer on the photosensing and optical nonlinearity of ZnO nanorod arrays
Authors: Farokhipour A. , Rahmati A. , Khanzadeh M.
Published: September 2022

The collaboration of surface plasmon resonance and barrier spacing are spotlighted to investigate on the photoconversion and optical nonlinearity of ZnO nanorods array.
A prediction model for nanoparticle diffusion behavior in fibrous materials considering steric and hydrodynamic resistances
Authors: Tian Di , Qu Zhiguo , Lai Tao , Zhu Guodong
Published: September 2022

Hindered diffusion prediction: a dual-resistance model, which considers steric and hydrodynamic resistances, is proposed and validated by experiments and can be used for accurate and rapid nanoparticle diffusivity prediction in the fibrous medium.
Accelerating supramolecular aggregation by molecular sliding
Authors: Zhao Wenjing , Du Hongxu , Xia Yijie , Xie Siyu , Huang Yu-Peng , Xu Tieqi , Zhang Jie , Gao Yi Qin , Wan Xinhua
Published: September 2022

Aggregation rate was accelerated in a macromolecular acid/base complex based “slider-track” system by reducing the diffusional dimension from 3D to 1D, which can be tuned by different means and monitored by multiple spectroscopies without labeling.
Semi-supervised machine learning workflow for analysis of nanowire morphologies from transmission electron microscopy images
Authors: Lu Shizhao , Montz Brian , Emrick Todd , Jayaraman Arthi
Published: September 2022

Semi-supervised transfer learning workflow facilitates rapid, automated nanomaterial morphology classification for small image datasets. Self-supervised training enables label-free pretraining that minimizes drawbacks of manual labeling.
Recent advances in the application of zeolitic imidazolate frameworks (ZIFs) in environmental remediation: a review
Authors: Sun Yubing , Zhang Ning , Yue Yanxue , Xiao Jingting , Huang Xinhui , Ishag Alhadi
Published: September 2022

The removal of gases, organics, heavy metals and radionuclides on zeolitic imidazolate frameworks (ZIFs).
Pd single-atom-site stabilized by supported phosphomolybdic acid: design, characterizations and tandem Suzuki–Miyaura cross coupling/nitro hydrogenation reaction
Authors: Patel Jay R. , Patel Anjali U.
Published: September 2022

Herein, a single-metal (Pd) site with high surface energy was stabilized and dispersed on a support (zirconia) via a stabilizing agent (phosphomolybdic acid) using a wet chemistry method and used as a catalyst for tandem reaction.
Coronene-based quantum dots for the delivery of the doxorubicin anticancer drug: a computational study
Authors: Amigh Soode , Mohajeri Afshan
Published: September 2022

The coronene family could serve as a useful platform for the delivery of and tracking the release of the anticancer DOX drug.
Synthesis and fungicidal activity of novel pyrroloindole scaffolds and their derivatives
Authors: Wu Wenbin , Jiang Qiaoju , Tan Yi , Zhou Yujie , Chen Jinfeng , Tang Bing , Zhu Rui , Zheng Shaojun
Published: September 2022

The key scaffold of a pyrroloindole ring is a very important structure, which is isolated from plants and fungi with a variety of medical and fungicidal activities.
Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors
Authors: Singh Rahul , Kumar Parvin , Devi Meena , Lal Sohan , Kumar Ashwani , Sindhu Jayant , Toropova Alla P. , Toropov Andrey A. , Singh Devender
Published: September 2022

Monte Carlo optimization based QSGFEAR model development using CII results in the formation of more reliable, robust and predictive models.
Ratiometric optical thermometry based on a Dy3+, Eu3+ co-doped GdAl3(BO3)4 phosphor
Authors: Yang Liqiong , Ding Yadan , Wen Xiaokun , Zhu Hancheng , Wang Guorui , Li Xinghua , Hong Xia
Published: September 2022

A GdAl3(BO3)4: Dy3+, Eu3+ phosphor was used for ratiometric optical thermometry based on different thermal sensitivities and energy transfer between Dy3+ and Eu3+.
Efficient hydrogen evolution of Ni2P via incorporation of Mo for alkaline freshwater and seawater electrolysis
Authors: Li Xiao , Wu Yudong , Li Shanshan , Dai Yinchen , Guan Jibiao , Guo Baochun , Zhang Ming
Published: September 2022

Developing high-performance and earth-abundant electrocatalysts for hydrogen production by electrolysis of freshwater/seawater is desirable but remains a huge challenge, especially in seawater solution.
Tryptophan self-assembly yields cytotoxic nanofibers containing amyloid-mimicking and cross-seeding competent conformers
Authors: Prajapati Kailash Prasad , Anand Bibin Gnanadhason , Ansari Masihuzzaman , Tiku Ashu Bhan , Kar Karunakar
Published: September 2022

The essential amino acid tryptophan, under physiological conditions, self-assembles into amyloid-mimicking neurotoxic nanostructures, capable of driving amyloid cross-seeding of diverse proteins.
Retraction: MiR-320d suppresses the progression of breast cancer via lncRNA HNF1A-AS1 regulation and SOX4 inhibition
Authors: Shi Shuai , Hu Xiaoling , Xu Jianpo , Liu Hong , Zou Libo
Published: September 2022

Retraction of ‘MiR-320d suppresses the progression of breast cancer via lncRNA HNF1A-AS1 regulation and SOX4 inhibition’ by Shuai Shi et al., RSC Adv., 2018, 8, 19196–19207, https://doi.org/10.1039/C8RA01200H.
Recent advances in biomimetic soft robotics: fabrication approaches, driven strategies and applications
Authors: Dong Xiaoxiao , Luo Xiaohang , Zhao Hong , Qiao Chenyu , Li Jiapeng , Yi Jianhong , Yang Li , Oropeza Francisco J. , Hu Travis Shihao , Xu Quan , Zeng Hongbo
Published: September 2022

Compared to traditional rigid-bodied robots, soft robots are constructed using physically flexible/elastic bodies and electronics to mimic nature and enable novel applications in industry, healthcare, aviation, military,etc.
Eldfellite NaV(SO4)2 as a versatile cathode insertion host for Li-ion and Na-ion batteries
Authors: Singh Shashwat , Singh Deobrat , Ahuja Rajeev , Fichtner Maximilian , Barpanda Prabeer
Published: September 2022

Eldfellite NaV(SO4)2 has been shown to be a versatile cathode insertion host for secondary Li-ion and Na-ion batteries.
Vacancy-modified few-layered GaN crystal for novel high-temperature energy storage
Authors: Lv Songyang , Wang Shouzhi , Wang Tailin , Liu Lei , Yu Jiaoxian , Dong Tianran , Wang Guodong , Wang Zhongxin , Liang Chang , Li Lili , Xu Xiangang , Zhang Lei
Published: September 2022

Vacancy-modified few-layered GaN crystal as an advanced electrode for IL-based SC devices, which is applied to high-temperature energy storage field for the first time. And the device exhibits superior energy storage capability at 150 °C.
Synergistic co-doping induced high catalytic activities of La/Fe doped Co3O4 towards oxygen reduction/evolution reactions for Zn–air batteries
Authors: Xia Zhongyuan , Deng Binglu , Wang Yongjie , Jiang Zhongqing , Jiang Zhong-Jie
Published: September 2022

La/Fe co-doped Co3O4 nanoparticles supported on aminated CNTs have shown high catalytic activities for the ORR and OER. The specific La/Fe co-doped structure of Co3O4 is shown to be the main origin of their high catalytic activities.
Resonant phonon modes induced by molecular rotations in α-pentaerythritol crystals
Authors: Wang Simin , Fan Hongzhao , Zhang Zhe , Sun Liang , Chen Jialu , Yang Nuo , Zhou Yanguang , Li Bing , Dai Liang
Published: September 2022

Resonant phonon modes induced by molecular rotations in α-pentaerythritol crystals play a critical role in thermal transport and phase stability.
Soft, flexible and self-healable supramolecular conducting polymer-based hydrogel electrodes for flexible supercapacitors
Authors: Zhu Bicheng , Chan Eddie Wai Chi , Li Sheung Yin , Sun Xin , Travas-Sejdic Jadranka
Published: September 2022

A stretchable and self-healable PEDOT-based conducting polymer was developed for a flexible and wearable supercapacitor. The developed supercapacitor provides excellent capacitance, cycling stability and self-healing properties.
Halide perovskite memristor with ultra-high-speed and robust flexibility for artificial neuron applications
Authors: Tang Lingzhi , Huang Yang , Wang Chen , Zhao Zhenxuan , Yang Yiming , Bian Jiming , Wu Huaqiang , Zhang Zengxing , Zhang David Wei
Published: September 2022

We report a halide perovskite based flexible threshold-switched memristor with ultra-high speed as an artificial neuron that exhibits excellent leaky integrate-and-fire dynamics and strength-modulated spike frequency response performance.
Use of Automated Kinematic Diadochokinesis Analysis to Identify Potential Indicators of Speech Motor Involvement in Children With Cerebral Palsy
Authors: Allison Kristen M. , Nip Ignatius S. B. , Rong Panying
Published: September 2022

Purpose:

This study examined multiple variables obtained from an automated measure of lip movement during a diadochokinesis (DDK) task to identify those with potential to detect mild speech motor involvement in school-age children diagnosed with cerebral palsy (CP).

Method:

Eight children with CP and high speech intelligibility and a matched group of eight children with typical development (TD) completed a DDK task while their lip and jaw movements were recorded. A custom MATLAB algorithm was used to automatically extract 23 kinematic measures of children's lip movements during production of the DDK sequences. Mann–Whitney
U
tests were used to compare groups on the kinematic measures, and receiver operating characteristic (ROC) analysis was used to evaluate the diagnostic accuracy of measures that significantly differed between groups.

Results:

Five of the 23 kinematic variables differed significantly between the CP and TD groups. These were two measures of overall DDK performance (i.e., duration of the DDK sequence and number of cycles) and three spatial and temporal measures of lip movement. Duration of the DDK sequence and the mean displacement of the lips across cycles had the highest diagnostic accuracy, differentiating CP and TD groups with 88% sensitivity and 88% specificity.

Conclusions:

Automatically derived kinematic measures of DDK sequences differentiated children with CP and high intelligibility from typically developing children. Future research is needed to determine the clinical utility of these measures for detecting speech motor impairment.
Heart rate variability is related to leucocyte count in men and to blood lipoproteins in women in a healthy population of 35‐year‐old subjects
Authors: Jensen‐Urstad M. , Jensen‐Urstad K. , Ericson M. , Johansson J.
Published: September 2022

Jensen‐Urstad M, Jensen‐Urstad K, Ericson M, Johansson J (Karolinska Institute, Stockholm, Sweden). Heart rate variability is related to leucocyte count in men and to blood lipoproteins in women in a healthy population of 35‐year‐old subjects. J Intern Med 1998; 243: 33–40.

Objectives

To investigate if, in a healthy randomly‐selected population of 35‐year‐old men and women, there already is a relation between decreased heart rate variability and conventional risk factors for cardiovascular disease.

Background

Analysis of heart rate variability (HRV) has been used for estimating tonic autonomic activity. HRV is reduced in patients with various cardiovascular diseases. If a decreased HRV is a late phenomenon in the progression of cardiovascular disease, or if it parallels or even precedes manifest disease is unknown.

Design

Spectral analysis of HRV was made from 24‐hour ambulatory electrocardiograms in a randomised population of healthy 35‐year‐old men (n = 63) and women (n = 70). The different spectral indices of HRV were analysed against gender, leucocyte count (previously described as an independent risk factor for cardiovascular disease), blood lipoproteins, smoking, heredity, body mass index (BMI) and systolic blood pressure.

Setting

A research centre of general medicine and a university hospital.

Results

Mean heart rate was lower, total power (TP), very low frequency power (VLF) and low frequency power (LF) were higher in men than in women. In women TP, VLF and LF were negatively correlated to BMI, smoking, triglycerides and positively correlated to HDL cholesterol. TP and VLF were also negatively correlated to risk factor score. High frequency power (HF), a marker of parasympathetic activity, was positively related to HDL cholesterol. In men, at daytime, TP, VLF, LF and HF were negatively correlated to leucocyte count. TP, VLF and LF were also negatively correlated to triglycerides and VLF also to risk factor score.

Conclusions

There are correlations between HRV and known risk factors for cardiovascular disease already in a healthy 35‐year‐old population. A novel observation is the relationship in men between leucocyte count and heart rate variability.
Apple grading method based on neural network with ordered partitions and evidential ensemble learning
Authors: Ma Liyao , Wei Peng , Qu Xinhua , Bi Shuhui , Zhou Yuan , Shen Tao
Published: September 2022

In order to improve the performance of the automatic apple grading and sorting system, in this paper, an ensemble model of ordinal classification based on neural network with ordered partitions and Dempster–Shafer theory is proposed. As a non‐destructive grading method, apples are graded into three grades based on the Soluble Solids Content value, with features extracted from the preprocessed near‐infrared spectrum of apple serving as model inputs. Considering the uncertainty in grading labels, mass generation approach and evidential encoding scheme for ordinal label are proposed, with uncertainty handled within the framework of Dempster–Shafer theory. Constructing neural network with ordered partitions as the base learner, the learning procedure of the Bagging‐based ensemble model is detailed. Experiments on Yantai Red Fuji apples demonstrate the satisfactory grading performances of proposed evidential ensemble model for ordinal classification.
Stochastic simulation‐based optimization method for arterial traffic signal coordination with equity and efficiency consideration
Authors: Zheng Liang , Feng Min , Yang Xia (Sarah) , Xue Xinfeng
Published: September 2022

This study proposes an innovative stochastic simulation‐based optimization (SSO) model for arterial traffic signal coordination based on the ring‐and‐barrier diagram. The SSO model takes the network traffic equity and the arterial traffic efficiency as the two objectives, which are evaluated by the relative Gini index and the relative vehicular throughout, respectively. Then a surrogate‐based promising area search (SPAS) algorithm is developed to solve the SSO model. The advantage of the SPAS algorithm is that the built‐in shrinking ball method and the promising area search technique help reduce the computational efforts while appropriately capturing the stochasticity. Then some numerical experiments are conducted based on a real‐world urban arterial road with four signalized T‐intersections and field data in Nanchang, China. The numerical results show that the SSO model for arterial traffic signal coordination can be well solved by the proposed SPAS algorithm and that the relationship between the arterial traffic efficiency and the network traffic equity is not completely competitive. Specifically, increasing the weight of arterial traffic efficiency from 0.5 can slightly improve the network traffic equity while significantly improving the arterial traffic efficiency, providing significant guidance for real‐world arterial signal coordination.
L’ACV : la méthodologie internationale du calcul d’impact de la production d’énergie
Authors: Hanine Ilyas
Published: September 2022

Dans une récente étude parue cet été, EDF met à jour le facteur d’émission du parc nucléaire français à 3,7 g éq. CO2/kWh, faisant de l’atome le moyen le plus décarboné de produire de l’électricité du point de vue climatique. Ce chiffre, obtenu par une analyse en cycle de vie (ACV), repose sur une méthodologie normalisée au niveau international.
Mapping als iterativer Visualisierungsprozess – Einblicke in
regionale Versorgungsstrukturen in der SARS-CoV-2 Pandemie
Authors: Röcker Annika , Krugmann Caroline Sophie , Rebacz Patrick , Kesztyüs Dorothea , Barzel Anne
Published: September 2022

Ziel der Studie Über die Zusammenarbeit verschiedener Akteur:innen
der Gesundheitsversorgung in der Pandemie ist – insbesondere im Hinblick
auf die Aufgabenteilung zwischen Sektoren – wenig bekannt. Exemplarisch
für eine Region in Baden-Württemberg sollte unter Verwendung
einer expertengestützten Visualisierungsmethode der Austausch relevanter
Akteur:innen angeregt werden, um sich auf Zuständigkeiten,
Prioritäten und Zielsetzungen zu verständigen.

Methodik Die Erarbeitung eines Gesamtbildes („Mapping“)
zur Pandemiesituation in Ulm/Alb-Donau-Kreis erfolgte in Anlehnung an
die Methode „Knowledge Visualization“ in mehreren Phasen.
Zunächst wurden semi-strukturierte Interviews mit lokalen Akteur:innen
der Gesundheitsversorgung geführt und visualisiert. In einer gemeinsamen
Video-Konferenz wurden diese Einzelperspektiven vorgestellt, diskutiert und bei
Bedarf modifiziert. Es folgte ein moderierter, durch einen
Visualisierungs-Experten („Visionom“) begleiteter Austausch mit
dem Ziel, sich auf gemeinsame Strategien für die Versorgung in der
Pandemie zu verständigen. Dieser Prozess wurde als Mapping zur
Pandemiesituation professionell dokumentiert.

Ergebnisse Alle Teilnehmenden zeigten große Motivation und
empfanden es als interessant und wertvoll, die Perspektiven anderer Akteur:innen
näher kennenzulernen. Die iterative Visualisierung wirkte stark
aktivierend und regte Reflexionsprozesse an. Personelle Zuständigkeiten
erwiesen sich als nicht immer klar, Kommunikationsprobleme wurden offengelegt.
Es besteht der Wunsch nach Fortsetzung des begonnenen Prozesses.

Schlussfolgerung Iterative Visualisierungen können den Impuls
geben, Implikationen auf Handlungsebene, Metastrukturen und Entscheidungsgremien
einzuleiten. Wir empfehlen diese Methode auch für andere Fragestellungen
in Bezug auf lokale bzw. regionale Strukturen.
Metastase oder Sarkoidose – eine diagnostische Herausforderung beim metastasierten Rektumkarzinom
Authors: Brunner Marius , Ammer-Herrmenau Christoph , Biggemann Lorenz , Ströbel Philipp , König Alexander , Ellenrieder Volker , Petzold Golo
Published: September 2022

Hintergrund Granulomatöse Erkrankungen wie Sarkoidose können die Diagnostik bei onkologischen Erkrankungen erschweren, da Metastasen bildmorphologisch häufig nicht von Granulomen zu unterscheiden sind. Die vorliegende Kasuistik beschreibt Diagnostik und Therapie eines Patienten mit fortgeschrittener Sarkoidose und einem hepatisch metastasierten Rektumkarzinom mit schlussendlichem Erreichen eines kurativen Stadiums.

Fallbeschreibung Bei einem 71-jährigen Patienten wurde im Rahmen der Abklärung ungewollten Gewichtsverlustes sowie einer Anämie ein Adenokarzinom des Rektums diagnostiziert. Die weitere Umfelddiagnostik ergab bildmorphologisch den hochgradigen Verdacht auf multiple rechtshepatische, pulmonale und splenische Metastasen. Histologisch zeigten sich nach bronchoskopischer Biopsie der mediastinalen Lymphknoten jedoch nichtverkäsende Epitheloidzellgranulome als Manifestation einer bis dato nicht bekannten Sarkoidose. Aufgrund des stenosierenden Tumors erfolgte eine Rektumresektion mit Milzextirpation bei intraoperativ hochgradigem Verdacht auf Milzmetastasen. Histologisch zeigten sich in der Milz eine Beteiligung im Rahmen der Sarkoidose. Bei bildmorphologisch weiterhin suspekten rechtshepatischen Leberläsionen erfolgte postoperativ eine Stanzbiopsie einer Läsion, die histologisch sowohl eine Metastase des bekannten Rektumkarzinoms als auch eine Sarkoidose ergab. Es erfolgte eine pseudo(neo)adjuvante Therapie mit 5-Fluorouracil, Leukovorin und Oxaliplatin (FOLFOX) und Panitumumab (Anti-EGF-Antikörper). Bildmorphologisch zeigten sich posttherapeutisch 2 Leberläsionen regredient, mehrere weitere größenstabil. Es erfolgte eine erweiterte Hemihepatektomie rechts mit histologischem Nachweis von sowohl Metastasen als auch Sarkoidose-Herden. Der zu diesem Zeitpunkt tumorfreie Patient wurde in die engmaschige Nachsorge entlassen, die sich im weiteren Verlauf (13 Monate) bildmorphologisch ohne Rezidivhinweis zeigte.

Diskussion Das gleichzeitige Auftreten von metastasierten Tumorerkrankungen und Sarkoidoseherden führt zu einem diagnostischen Dilemma, da die Manifestationen bildmorphologisch kaum unterschieden werden können. Dieser Fallbereich zeigt, dass eine umfassende histologische Aufarbeitung der unterschiedlichen betroffenen Organe mit konsekutiven Resektionen schlussendlich zu einer Tumorfreiheit des Patienten führen kann.
Vexas Syndrome Presenting As Long Covid-19
Authors: Yildirim Derya , Inan Mehmet Arda , Akyurek Nalan , Tufan Abdurrahman
Published: September 2022

Objective VEXAS (vacuoles, E1 enzyme, X-linked, autoinflammatory, somatic)
syndrome is a recently described systemic inflammatory syndrome caused by
somatic mutations of UBA1. COVID-19 is a viral infection that was described in
2019 and spread widely and quickly all around the world. Constitutional,
thrombotic and pulmonary symptoms of these two conditions are similar, which is
why cases of VEXAS syndrome may be misdiagnosed as a COVID infection.

Case report We introduced a case report of a 72-year-old male patient with
VEXAS syndrome who had fever, fatigue, deep vein thrombosis and a cough and was
thought to have a long COVID-19 infection for one year. Then we diagnosed him
with VEXAS syndrome with vacuoles in myelomonocytic cells, skin lesions and a
mutation of the UBA-1 gene.

Conclusion VEXAS and long COVID are two new conditions with overlapping
clinical presentations. Physicians must be aware of these clinical conditions
because of their different treatment strategy and prognosis.
Two-electron wavefunctions are matrix product states with bond dimension three
Authors: Friesecke Gero , Graswald Benedikt R.
Published: September 2022

We prove the statement in the title for a suitable (wavefunction-dependent) choice of the underlying orbitals and show that 3 is optimal. Thus, for two-electron systems, the quantum chemistry density matrix renormalization group (QC-DMRG) method with bond dimension 3 combined with fermionic mode optimization exactly recovers the full configuration-interaction (FCI) energy.
Suppression of reconnection in polarized, thin magnetotail current sheets: 2D simulations and implications
Authors: An Xin , Artemyev Anton , Angelopoulos Vassilis , Runov Andrei , Lu San , Pritchett Philip
Published: September 2022

Many in situ spacecraft observations have demonstrated that magnetic reconnection in the Earth's magnetotail is largely controlled by the pre-reconnection current sheet configuration. One of the most important thin current sheet characteristics is the preponderance of electron currents driven by strong polarized electric fields, which are commonly observed in the Earth's magnetotail well before the reconnection. We use particle-in-cell simulations to investigate magnetic reconnection in the 2D magnetotail current sheet with a finite magnetic field component normal to the current sheet and with the current sheet polarization. Under the same external driving conditions, reconnection in a polarized current sheet is shown to occur at a lower rate than in a nonpolarized current sheet. The reconnection rate in a polarized current sheet decreases linearly as the electron current's contribution to the cross-tail current increases. In simulations with lower background temperature, the reconnection electric field is higher. We demonstrate that after reconnection in such a polarized current sheet, the outflow energy flux is mostly in the form of ion enthalpy flux, followed by electron enthalpy flux, Poynting flux, ion kinetic energy flux, and electron kinetic energy flux. These findings are consistent with spacecraft observations. Because current sheet polarization is not uniform along the magnetotail, our results suggest that it may slow down reconnection in the most polarized near-Earth magnetotail and thereby move the location of reconnection onset downtail.
Development of a differential photoacoustic system for the determination of the effective water diffusion and water vapor permeability coefficients in thin films
Authors: Martinez-Munoz P. E. , Martinez-Hernandez H. D. , Rojas-Beltran C. F. , Perez-Ospina J. L. , Rodriguez-Garcia M. E.
Published: September 2022

This paper focused on developing a methodology and metrology using a differential photoacoustic (PA) system to determine the effective water vapor diffusion coefficient (Deff) and the effective permeability coefficient (Π) in thin films as a piece of paper and standard polystyrene for a controlled relative humidity. The methodology proposes a new differential photoacoustic system, including the water reservoir, relative humidity, and temperature detectors. Two cells, reference/sample, were used to obtain the instrumental function to reduce the electronic and environmental noises. A method based on the study of ln[1−(S−S0)/ΔS]=t/τD and the behaviors of R2 as a function of the number of data was proposed to assess the region in which the photoacoustic signal should be processed to determine each effective coefficient. S is the amplitude of the PA signal, S0 is the initial amplitude value, ΔS is the change, t (time), and τD is the water vapor diffusion time. The effective water diffusion coefficient (Deff) for water and polystyrene was 1.90 × 10−11 m2/s and 3.09 × 10−11 m2/s, respectively. The permeability coefficient value for the piece of paper was 4.18 × 10−9 mol kg−1 cm−2 s−1 Pa−1, while for polystyrene, it was 6.80 × 10−9 mol kg−1 cm−2 s−1 Pa−1 for 70% of relative humidity. This methodology can be extended by changing the moisture content on the chamber to obtain the dependence of Deff as a function of relative humidity.
Ultrafast opto-protonics in a hydrogen-bonded π-molecular ferroelectric crystal
Authors: Okimoto Yoichi , Xia Peiyu , Itatani Jiro , Matsushima Haruka , Ishikawa Tadahiko , Koshihara Shin-ya , Horiuchi Sachio
Published: September 2022

We investigated the ultrafast photo-response of a ferroelectric co-crystal of Hdppz–Hca composed of protonated 2,3-di (2-pyridinyl)pyrazine (Hdppz) and deprotonated chloranilic acid (Hca). Whereas the intermolecular proton transfer triggers the ferroelectricity in Hdppz–Hca, the majority of the large spontaneous polarization has a quantum mechanical origin from the highly polarizable π-electron system. In this study, we prepared a carrier-envelope phase-stable mid-infrared pulse tuned to the proton vibration of this system and investigated the time dependence of the subsequent change in the second harmonic generation (SHG) yield. By exciting the proton vibration, the relative change in SHG yield increased by about 100%, and the enhancement was only observed within the duration of the applied electric field. The huge enhancement and ultrafast response of the SHG, which is not seen in usual ferroelectrics, is attributed to the fact that the photoexcitation dynamically changes the stable position of protons and π-electrons, resulting in an ultrafast increase in the value of χ(2) of Hdppz–Hca. The phenomena observed here indicate a new property of this system as a quantum material with nonlinearity and can be regarded as opto-protonics in proton-mediated ferroelectrics.
Conceptual study for velocity space resolved thermal ion loss detection in tokamaks
Authors: Poley-Sanjuán J. , Galdón-Quiroga J. , Viezzer E. , Rueda-Rueda J. , Cano-Megias P. , Oyola P. , Cruz-Zabala D. J. ,   ASDEX Upgrade Team
Published: September 2022

A new concept for velocity space thermal ion loss detection is presented. This diagnostic provides pitch angle resolved measurements that are unfeasible with current diagnostics. It uses the same detection principle as the Fast-Ion Loss Detector with a scintillator as the active component and includes a double slit configuration to measure simultaneously the escaping counter- and co-current ions. Simulations show a gyroradius range between 0.15 and 1.00 cm with a resolution below 0.15 cm (for a gyroradius of 1 cm) and a pitch angle range between 30° and 150° with a resolution below 8° for both counter- and co-current ions. The formation of a sheath in front of the detector and its associated electric field may impact the detection principle. Preliminary simulations with a homogeneous electric field show a decrease in the measurable velocity space range, whereas the gyroradius and pitch angle resolution barely change. The strike map is sensitive to the sheath electric field.
Dependence of skin-friction reduction on the geometric parameters of blowing jet array
Authors: Zhang X. , Wong C. W. , Cheng X. Q. , Zhou Y.
Published: September 2022

Unsteady wall-normal blowing through one array of streamwise slits has been recently demonstrated to reduce substantially skin-friction drag in a turbulent boundary layer [X. Q. Cheng et al., “Skin-friction reduction using periodic blowing through streamwise slits,” J. Fluid Mech. 920, (2021)]. This work aims to understand the dependence of skin-friction drag reduction (DR) on the parameters of the slit array, including the slit width b, length l, and number N or actuation width. The control performance exhibits a dependence on the three parameters in terms of DR, downstream drag recovery, and net-energy saving. It has been found for the first time that DR achieved under high-frequency unsteady blowing may exceed that under steady blowing given the same blowing mass flow rate. Physical mechanisms behind are discussed. The scaling of the drag reduction is also examined empirically, providing valuable insight into the flow physics behind control.
Determining the role of Pd catalyst morphology and deposition criteria over large area plasmonic metasurfaces during light-enhanced electrochemical oxidation of formic acid
Authors: Yalavarthi Rambabu , Henrotte Olivier , Kment Štěpán , Naldoni Alberto
Published: September 2022

The use of metal composites based on plasmonic nanostructures partnered with catalytic counterparts has recently emerged as a promising approach in the field of plasmon-enhanced electrocatalysis. Here, we report on the role of the surface morphology, size, and anchored site of Pd catalysts coupled to plasmonic metasurfaces formed by periodic arrays of multimetallic Ni/Au nanopillars for formic acid electro-oxidation reaction (FAOR). We compare the activity of two kinds of metasurfaces differing in the positioning of the catalytic Pd nanoparticles. In the first case, the Pd nanoparticles have a polyhedron crystal morphology with exposed (200) facets and were deposited over the Ni/Au metasurfaces in a site-selective fashion by limiting their growth at the electromagnetic hot spots (Ni/Au–Pd@W). In contrast, the second case consists of spherical Pd nanoparticles grown in solution, which are homogeneously deposited onto the Ni/Au metasurface (Ni/Au–Pd@M). Ni/Au–Pd@W catalytic metasurfaces demonstrated higher light-enhanced FAOR activity (61%) in comparison to the Ni/Au–Pd@M sample (42%) for the direct dehydrogenation pathway. Moreover, the site-selective Pd deposition promotes the growth of nanoparticles favoring a more selective catalytic behavior and a lower degree of CO poisoning on Pd surface. The use of cyclic voltammetry, energy-resolved incident photon to current conversion efficiency, open circuit potential, and electrochemical impedance spectroscopy highlights the role of plasmonic near fields and hot holes in driving the catalytic enhancement under light conditions.
Application of the Slater criteria to localize invariant tori in Hamiltonian mappings
Authors: Huggler Yoná H. , Hermes Joelson D. V. , Leonel Edson D.
Published: September 2022

We investigate the localization of invariant spanning curves for a family of two-dimensional area-preserving mappings described by the dynamical variables I and θ by using Slater’s criterion. The Slater theorem says there are three different return times for an irrational translation over a circle in a given interval. The returning time, which measures the number of iterations a map needs to return to a given periodic or quasi periodic region, has three responses along an invariant spanning curve. They are related to a continued fraction expansion used in the translation and obey the Fibonacci sequence. The rotation numbers for such curves are related to a noble number, leading to a devil’s staircase structure. The behavior of the rotation number as a function of invariant spanning curves located by Slater’s criterion resulted in an expression of a power law in which the absolute value of the exponent is equal to the control parameter γ that controls the speed of the divergence of θ in the limit the action I is sufficiently small.
The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states
Authors: Palmer Michael H. , Jones Nykola C. , Hoffmann Søren Vrønning , Aitken R. Alan , Coreno Marcello , de Simone Monica , Grazioli Cesare , Patterson Iain L. J.
Published: September 2022

A new vacuum ultraviolet absorption (VUV) spectrum of azulene vapor has been obtained by using a synchrotron radiation source. The onset of the ultraviolet spectrum, previously reported by Sidman et al., has been analyzed in detail by Franck–Condon (FC) and Herzberg–Teller (HT) methods. The photoelectron spectral profile identifies the 3px-Rydberg state 00 band to be 131 cm−1 from the VUV maximum. Excited state energy levels were calculated by three independent methods: the wide scan VUV spectrum was correlated with symmetry adapted cluster configuration interaction calculations. The low energy portion of the spectrum was studied by both time dependent density functional theoretical methods (TDDFT) and multi-reference multi-root CI (MRD-CI). Equilibrium structures were determined for valence states at the TDDFT level. Rydberg states were determined by both TDDFT and MRD-CI. The FC + HT analyses were performed on the TDDFT wave-functions. The HT intensity profiles are generally low in intensity, relative to the FC ones; however, HT is dominant in the second singlet state (S2, 11A1). As a result, numerous non-symmetric modes, their overtones, and combination bands show considerable intensity in that band. Energies obtained from use of extremely diffuse s-, p-, d-, or f-character functions enabled realistic extrapolation to the IE1 for many Rydberg states (RS). The lowest RS (3b13s) based on IE2 lies at 4.804 eV with a quantum defect of 0.714. Differentiation between valence and RS is readily made using the second moments of the charge distribution.
Free energy landscape within the hysteresis regime for fluids confined in disordered mesoporous solids
Authors: Alzaidi A. , Kikkinides E. S. , Schneider D. , Monson P. A. , Valiullin R.
Published: September 2022

Adsorption/desorption and melting/freezing in structurally disordered nanoporous solids exhibit strongly non-equilibrium behavior as revealed by the formation of a hysteresis region populated by the multitude of different states. Many questions concerning the free energy spectrum of these states, including the existence of the equilibrium transition, if any, their accessibility in the experiments, and internal relaxation dynamics toward the global energy minimum, still remain poorly addressed. By using a serially connected pore model with the statistical disorder as a minimal model of the pore networks, we explore the system free energies along the solid–liquid and liquid–gas transitions in the pore systems. The rigorous results obtained with this model shed light on the occurrence and nature of the equilibrium transition line in porous solids with arbitrary pore topology. We discuss further the free energies along the experimentally measured boundary and scanning transitions and how close the equilibrium states can be approached in these experiments.