bluuebunny/crossref_metadata_2025 huggingface dataset:
Serology study after BTN162b2 vaccination in participants previously infected with SARS-CoV-2 in two different waves versus naïve
Authors: Dalle Carbonare Luca , Valenti Maria Teresa , Bisoffi Zeno , Piubelli Chiara , Pizzato Massimo , Accordini Silvia , Mariotto Sara , Ferrari Sergio , Minoia Arianna , Bertacco Jessica , Li Vigni Veronica , Dorelli Gianluigi , Crisafulli Ernesto , Alberti Daniela , Masin Laura , Tiberti Natalia , Longoni Silvia Stefania , Lopalco Lucia , Beretta Alberto , Zipeto Donato
Published: October 2021

Background

The antibody response to SARS-CoV-2 mRNA vaccines in individuals with waning immunity generated by a previous SARS-CoV-2 infection, as well as the patterns of IgA and IgM responses in previously infected and in naïve individuals are still poorly understood.

Methods

We performed a serology study in a cohort of BTN162b2 mRNA vaccine recipients who were immunologically naïve (N, n = 50) or had been previously infected with SARS-CoV-2 (P.I., n = 51) during the first (n = 25) or second (n = 26) pandemic waves in Italy, respectively. We measured IgG, IgM and IgA antibodies against the SARS-CoV-2 Spike (S) and IgG against the nucleocapsid (N) proteins, as well as the neutralizing activity of sera collected before vaccination, after the first and second dose of vaccine.

Results

Most P.I. individuals from the first pandemic wave who showed declining antibody titres responded to the first vaccine dose with IgG-S and pseudovirus neutralization titres that were significantly higher than those observed in N individuals after the second vaccine dose. In all recipients, a single dose of vaccine was sufficient to induce a potent IgA response that was not associated with serum neutralization titres. We observed an unconventional pattern of IgM responses that were elicited in only half of immunologically naïve subjects even after the second vaccine dose.

Conclusions

The response to a single dose of vaccine in P.I. individuals is more potent than that observed in N individuals after two doses. Vaccine-induced IgA are not associated with serum neutralization.
A novel electrochemical sensor based on TAPT-TFP-COF/COOH-MWCNT for simultaneous detection of dopamine and paracetamol
Authors: Guo Hao , Sun Lei , Yang Meng , Wang Mingyue , Wu Ning , Zhang Tingting , Zhang Junye , Yang Fan , Yang Wu
Published: October 2021

In this work, a covalent organic framework (COF) TAPT-TFP-COF containing a triazine ring was prepared by a typical Schiff base condensation reaction of 1,3,5-tris-(4-aminophenyl)triazine (TAPT) and 1,3,5-triformyl phloroglucinol (TFP).
Light-responsive hyaluronic acid nanomicelles co-loaded with an IDO inhibitor focus targeted photoimmunotherapy against “immune cold” cancer
Authors: Wu Chunhui , Xu Jiming , Xie Zhengxin , Huang Honglin , Li Ningxi , Wei Xiaodan , Li Tingting , Yang Hong , Li Shun , Qin Xiang , Liu Yiyao
Published: October 2021

This work shows a translatable nanoformulation NLG919@HA-Ce6 for the combined targeted PDT and IDO1 blockade immunotherapy against poorly immunogenic tumors.
Dinuclear 2,4-di(pyridin-2-yl)-pyrimidine based ruthenium photosensitizers for hydrogen photo-evolution under red light
Authors: Gamache Mira T. , Auvray Thomas , Kurth Dirk G. , Hanan Garry S.
Published: October 2021

We investigate the impact of multiple metal centers in ruthenium(ii) photosensitizers for hydrogen evolution experiments.
A selective fluorescent probe for gadoliniumIII in water based on a PdII-preorganized chromone-receptor
Authors: Paderni Daniele , Giorgi Luca , Macedi Eleonora , Formica Mauro , Paoli Paola , Rossi Patrizia , Fusi Vieri
Published: October 2021

A preorganized PdII complex able to sense GdIII ions in real aqueous samples via an OFF–ON fluorescence signal.
Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides
Authors: Ornelas Alfredo , Arias-Ugarte Renzo , Metta-Magaña Alejandro J. , Sharma Hemant K. , Pannell Keith H.
Published: October 2021

The syntheses of [2-(CH3ECH2)C6H4]PbPh3−nCln, (n = 0, E = O (4), E = S (5); n = 1, E = O (6), E = S (7); n = 2, E = O (8), are described.
Environmental geochemistry of thioantimony: formation, structure and transformation as compared with thioarsenic
Authors: Ye Li , Jing Chuanyong
Published: October 2021

The review presents a way of comparing environmental geochemistry between thioantimony and thioarsenic, summarizing the latest knowledge about their formation, structure and transformation.
Polystyrene microplastic interaction with Oryza sativa: toxicity and metabolic mechanism
Authors: Wu Jiani , Liu Weitao , Zeb Aurang , Lian Jiapan , Sun Yuebing , Sun Hongwen
Published: October 2021

For the first time, we confirmed that PS nanoplastics can enter plant root cells through endocytosis, which will provide important new insights into microplastic-induced phytotoxicity.
Calcium-sensing receptor (CaSR) agonist R568 inhibits small intestinal motility of mice through neural and non-neural mechanisms
Authors: Guo Yajie , Gao Shengli , Jiang Zhongxin , Huang Jinfang , He Xiaoman , Jin Ruijie , Sun Shanbin , Guo Feifei , Gong Yanling , Sun Xiangrong
Published: October 2021

Activation of CaSR impedes intestinal motility and the nitriergic and cholinegic nervous pathway and interstitial Cajal cells are involved in this process.
Pepsin activity as a function of pH and digestion time on caseins and egg white proteins under static in vitro conditions
Authors: Salelles Léa , Floury Juliane , Le Feunteun Steven
Published: October 2021

Protein hydrolysis by pepsin can be substantial under weakly acidic conditions (pH ≥ 4), in particular, for milk caseins which are sensitive to pepsin in a remarkably broad range of pH.
Conquering residual light absorption in the transmissive states of organic electrochromic materials
Authors: Österholm Anna M. , Nhon Linda , Shen D. Eric , Dejneka Abigail M. , Tomlinson Aimée L. , Reynolds John R.
Published: October 2021

Using a feedback loop between computational modeling probing electronic transitions and experimental work, the colors, transmissivity, and redox switching properties of a family of anodically coloring electrochromic molecules are reviewed.
Identification of multi-color emission from coaxial GaInN/GaN multiple-quantum-shell nanowire LEDs
Authors: Ito Kazuma , Lu Weifang , Katsuro Sae , Okuda Renji , Nakayama Nanami , Sone Naoki , Mizutani Koichi , Iwaya Motoaki , Takeuchi Tetsuya , Kamiyama Satoshi , Akasaki Isamu
Published: October 2021

Multi-color emission from coaxial GaInN/GaN MQS nanowire-based light-emitting diodes was identified. A modified epitaxial growth sequence with improved crystalline quality for MQSs was applied to effectively narrow the EL emission peaks.
Metrology of convex-shaped nanoparticles via soft classification machine learning of TEM images
Authors: Wen Haotian , Xu Xiaoxue , Cheong Soshan , Lo Shen-Chuan , Chen Jung-Hsuan , Chang Shery L. Y. , Dwyer Christian
Published: October 2021

The shape of nanoparticles is a key performance parameter for many applications, ranging from nanophotonics to nanomedicines.
Linear chains of Ag nanoparticles embedded in dielectric films for SERS applications in analytical chemistry
Authors: Camelio Sophie , Babonneau David , Vandenhecke Elliot , Louarn Guy , Humbert Bernard
Published: October 2021

In line with the SHINERS approach, in which Raman amplification is provided by metallic nanoparticles with an ultrathin dielectric shell, we report on a SERS substrate consisting of lines of Ag nanoparticles embedded in dielectric surfaces.
Bifunctional flexible fabrics with excellent Joule heating and electromagnetic interference shielding performance based on copper sulfide/glass fiber composites
Authors: Liu Binguo , Zhang Qi , Huang Yuanhui , Liu Dong , Pan Wei , Mu Yunchao , Cheng Xiaozhe , Qin Yajie
Published: October 2021

The flexible and wearable CuS/glass fiber-based nanocomposite fabricated via facile one-step surface modification of bare GFs followed by chemical deposition of CuS strategy. The proposed CuS/GFs displays excellent Joule heating and EMI shielding performance.
WGM lasing in irregular cavities with arbitrary boundaries
Authors: Su Dan , Zhai Tianrui , Ge Kun , Zhang Shuai , Xu Zhiyang , Tong Junhua , Li Hongzhao , Sun Shiju , Zhang Ying , Wang Xiaolei
Published: October 2021

A simple drop-coating method is used to fabricate whispering gallery mode lasers based on irregular cavities with arbitrary boundaries on a high-reflection mirror. Single-mode and multi-mode lasing are obtained under optical pumping.
Polyvinyl alcohol-mediated splitting of Kevlar fibers and superior mechanical performances of the subsequently assembled nanopapers
Authors: E Songfeng , Ma Qin , Huang Jizhen , Ning Doudou , Lu Zhaoqing
Published: October 2021

One-pot splitting can make polyvinyl alcohol to uniformly wrap on the surface of Kevlar nanofibers, thus leading to a high strength of 283.25 MPa, toughness of 32.41 MJ m−3and transmittance of 67% at 800 nm of the subsequently assembled nanopaper.
Synthesis of difluorinated 3-oxo-N,3-diarylpropanamides from 4-arylamino coumarins mediated by Selectfluor
Authors: Chen Weiqiang , Li Hui-Jing , Liu Mei , Gong Pi-Xian , Wu Yan-Chao
Published: October 2021

An expeditious approach to synthesize difluorinated 3-oxo-N,3-diarylpropanamides from 4-arylamino coumarins has been accomplished in the presence of Selectfluor, which plays the dual role of a mild oxidant and a source of fluorine.
Enhanced photocatalytic degradation of organic contaminants over a CuO/g-C3N4 p–n heterojunction under visible light irradiation
Authors: Zhu Lejie , Luo Jianmin , Dong Guohui , Lu Yun , Lai Yinlong , Liu Jun , Chen Guanmei , Zhang Yi
Published: October 2021

The p–n heterojunction could enhance the photocatalytic RhB degradation performance of Cu/g-C3N4.
Enhancement of thermal and mechanical properties of silicone rubber with γ-ray irradiation-induced polysilane-modified graphene oxide/carbon nanotube hybrid fillers
Authors: Cao Ke , Li Bolong , Jiao Yang , Lu Yongjun , Wang Liancai , Guo Yueying , Dai Pei
Published: October 2021

In this work, functionalized silicon rubber with hybrid nanocarbon filler was prepared. The composites with good resistance ability to stress relaxation can be used as underfill to improve the thermo-mechanical reliability of flip-chips.
Selective catalytic reduction of NO over W–Zr-Ox/TiO2: performance study of hierarchical pore structure
Authors: Jin Qijie , Lu Yao , Ji Wenyu , Yang Bo , Xu Mutao , Xue Zhiwei , Dai Yi , Xu Haitao
Published: October 2021

A series of W–Zr-Ox/TiO2 catalysts with hierarchical pore structure were prepared and used for selective catalytic reduction of NO by NH3.
Tb3+–atorvastatin doped in poly(ethylene glycol) optical biosensor for selective determination of progesterone and testosterone in serum samples
Authors: Attia Mohamed S. , Mahmoud Safwat A. , Ahmed Amal M. , Amin Tarek A. , Youssef Ahmed. O. , Amin Mohammed A. , Abou-Omar Mona N. , Mohamed Ekram H.
Published: October 2021

The absorption spectrum of (1) atorvastatin, (2) Tb3+–atorvastatin complex (Tb3+–Ator), (3) Tb3+–atorvastatin complex (Tb3+–Ator)–progesterone (P), and (4) Tb3+–atorvastatin complex (Tb3+–Ator)–testosterone (T).
Dietary stigmastane-type saponins as promising dual-target directed inhibitors of SARS-CoV-2 proteases: a structure-based screening
Authors: Ogunyemi Oludare M. , Gyebi Gideon A. , Ibrahim Ibrahim M. , Olaiya Charles O. , Ocheje Joshua O. , Fabusiwa Modupe M. , Adebayo Joseph O.
Published: October 2021

Vernonia amygdalinaderived phytochemicals as potential dual-target directed inhibitors of SARS-CoV-2 proteases from computational study perspective.
Prompting hypothetical social comparisons to support chemistry students’ data analysis and interpretations
Authors: Berg Stephanie A. , Moon Alena
Published: October 2021

To develop competency in science practices, such as data analysis and interpretation, chemistry learners must develop an understanding of what makes an analysis and interpretation “good” (i.e., the criteria for success). One way that individuals extract the criteria for success in a novel situation is through making social comparisons, which is often facilitated in education as peer review. In this study, we explore using a simulated peer review as a method to help students generate internal feedback, self-evaluate, and revise their data analysis and interpretation. In interviews, we tasked students with interpreting graphical data to determine optimal conditions for an experiment. Students then engaged in social comparisons with three sample responses that we constructed and compared these samples to their own. We present a model informed by social comparison theory that outlines the different processes students went through to generate internal feedback for their own analysis and response. We then discuss the different ways students use this internal feedback to determine if and how to improve their response. Our study uncovers the underlying mechanism of self-evaluation in peer review and describes the processes that led students to revise their work and develop their analysis. This work provides insight for both practitioners and researchers to leverage student's internal feedback from comparisons to self-evaluate and revise their performance.
Impact of symmetry-breaking of non-fullerene acceptors for efficient and stable organic solar cells
Authors: Gopikrishna Peddaboodi , Choi Huijeong , Kim Do Hui , Hwang Jun Ho , Lee Youngwan , Jung Hyeonwoo , Yu Gyeonghwa , Raju Telugu Bhim , Lee Eunji , Lee Youngu , Cho Shinuk , Kim BongSoo
Published: October 2021

A 9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (IPC) moiety in asymmetric non-fullerene acceptors promotes the formation of a densely packed crystalline structure, enabling efficient and long-term stable organic solar cells.
A dual-role electrolyte additive for simultaneous polysulfide shuttle inhibition and redox mediation in sulfur batteries
Authors: Rafie Ayda , Pai Rahul , Kalra Vibha
Published: October 2021

We show that thiourea serves as both a polysulfide shuttle suppressing- and a redox mediating-additive, through an investigation of thiourea redox activity, shuttle current measurements, and study of Li2S activation.
From 1D to 1D–2D–1D: new insights into Li+ diffusion behavior in optimized MnO2 with the cooperative effect of tunnel and interface
Authors: Xu Yinsheng , Xu Yuhao , Han Xue , Wang Shengping , Yu Jingxian
Published: October 2021

The 1D–2D–1D diffusion model, supported both by the tunnel and the interface, is the key to improving the rate performance of Li/MnO2 primary batteries and other battery systems.
Robust supramolecular composite hydrogels for sustainable and “visible” agriculture irrigation
Authors: Ding Chenfeng , Zhang Shuai , Fu Xuewei , Liu Tuan , Shao Lin , Fei Mingen , Hao Cheng , Liu Yuan , Zhong Wei-Hong
Published: October 2021

To combat severe soil desertification and sandstorms, the application of appropriate hydrogels to dry land/desert is a promising solution to advance sustainable water irrigation and retention, and even realize “intelligent” agriculture.
Green solvent-processed, high-performance organic solar cells achieved by outer side-chain selection of selenophene-incorporated Y-series acceptors
Authors: Kim Changkyun , Chen Shuhao , Park Jin Su , Kim Geon-U , Kang Hyunbum , Lee Seungjin , Phan Tan Ngoc-Lan , Kwon Soon-Ki , Kim Yun-Hi , Kim Bumjoon J.
Published: October 2021

We develop a series of green solvent-processable small molecule acceptors (YSe–C3, YSe–C6, and YSe–C9) with different outer side-chains, affording high-performance organic solar cells (16.1%) with green-solvent processing.
Alternative anodes for Na–O2 batteries: the case of the Sn4P3 alloy
Authors: Gómez-Cámer Juan Luis , Ruiz de Larramendi Idoia , Enterría Marina , Lozano Iñigo , Acebedo Begoña , Bordeau Domitille , Ortiz-Vitoriano Nagore
Published: October 2021

Formation of sodium superoxide on the anode evidences the existence of O2/O2− crossover processes. Sn4P3 alloy provides greater stability and less surface reactivity than metallic Na anode.
Unraveling the evolution of exsolved Fe–Ni alloy nanoparticles in Ni-doped La0.3Ca0.7Fe0.7Cr0.3O3−δ and their role in enhancing CO2–CO electrocatalysis
Authors: Ansari Haris Masood , Bass Adam Stuart , Ahmad Nabeel , Birss Viola I.
Published: October 2021

In situ exsolved Fe–Ni nanoparticles anchored on a (La0.3Ca0.7)0.95Fe0.7Cr0.25Ni0.05O3−δ parent perovskite surface significantly enhance the CO oxidation kinetics, thus reaching excellent activity of the CO2 reduction reaction.
Enhanced biomineralization of shape memory composite scaffolds from citrate functionalized amorphous calcium phosphate for bone repair
Authors: Luo Kun , Wang Li , Tang Jiajing , Zeng Xiyang , Chen Xiaohu , Zhang Peicong , Zhou Shiyi , Li Junfeng , Zuo Yi
Published: October 2021

A novel shape memory polymer composite scaffold was developed with programmable pore structures, and the introduction of citrate into calcium phosphate could improve the formation of a new bone.
Small radius electron and hole polarons in PbX2 (X = F, Cl, Br) crystals: a computational study
Authors: Mastrikov Yu. A. , Chuklina N. G. , Sokolov M. N. , Popov A. I. , Gryaznov D. V. , Kotomin E. A. , Maier J.
Published: October 2021

Predicted by Landau in 1933, the self-trapped electron in PbCl2, for the first time was experimentally detected by Nistor et al. and Hirota et al. in 1993, and computationally modelled by Mastrikov et al. in 2021.
Strong Fermi-level pinning at metal contacts to halide perovskites
Authors: Hong Kootak , Kwon Ki Chang , Choi Kyoung Soon , Le Quyet Van , Kim Seung Ju , Han Ji Su , Suh Jun Min , Kim Soo Young , Sutter-Fella Carolin M. , Jang Ho Won
Published: October 2021

The extrinsic Pb0 interfacial trap states induce strong Fermi-level pinning at metal/CH3NH3PbI3 interfaces. This is due to the interfacial reaction between the deposited metals and iodine from CH3NH3PbI3.
Stretchable, healable, adhesive, transparent, anti-drying and anti-freezing organohydrogels toward multi-functional sensors and information platforms
Authors: Feng Enke , Li Xue , Li Jingjing , Yan Zhen , Zheng Guangchao , Gao Wei , Li Zhenliang , Ma Xinxian , Yang Zhiming
Published: October 2021

A multifunctional organohydrogel can be used as an information platform and a self-healing and anti-freezing strain sensor.
Engineering antiferromagnetic topological insulators in two-dimensional NaMnBi
Authors: Li Xinying , Mao Ning , Li Runhan , Dai Ying , Huang Baibiao , Niu Chengwang
Published: October 2021

Here we predict theoretically that two-dimensional NaMnBi is a promising antiferromagnetic insulator with a topological phase transition via small strain engineering.
Flexible transparent electrodes based on metallic micro–nano architectures for perovskite solar cells
Authors: Yang Yongrui , Wang Yang , Qiao Yali , Song Yanlin
Published: October 2021

This review summarizes recent progress in flexible transparent electrodes based on metallic micro–nano architectures, highlighting their applications in inverted, conventional and semi-transparent perovskite solar cells.
Different to the core: The pre-supernova structures of massive single and binary-stripped stars
Authors: Laplace E. , Justham S. , Renzo M. , Götberg Y. , Farmer R. , Vartanyan D. , de Mink S. E.
Published: October 2021

The majority of massive stars live in binary or multiple systems and will interact with a companion during their lifetimes, which helps to explain the observed diversity of core-collapse supernovae. Donor stars in binary systems can lose most of their hydrogen-rich envelopes through mass transfer. As a result, not only are the surface properties affected, but so is the core structure. However, most calculations of the core-collapse properties of massive stars rely on single-star models. We present a systematic study of the difference between the pre-supernova structures of single stars and stars of the same initial mass (11–21 M⊙) that have been stripped due to stable post-main-sequence mass transfer at solar metallicity. We present the pre-supernova core composition with novel diagrams that give an intuitive representation of the isotope distribution. As shown in previous studies, at the edge of the carbon-oxygen core, the binary-stripped star models contain an extended gradient of carbon, oxygen, and neon. This layer remains until core collapse and is more extended in mass for higher initial stellar masses. It originates from the receding of the convective helium core during core helium burning in binary-stripped stars, which does not occur in single-star models. We find that this same evolutionary phase leads to systematic differences in the final density and nuclear energy generation profiles. Binary-stripped star models have systematically higher total masses of carbon at the moment of core collapse compared to single-star models, which likely results in systematically different supernova yields. In about half of our models, the silicon-burning and oxygen-rich layers merge after core silicon burning. We discuss the implications of our findings for the “explodability”, supernova observations, and nucleosynthesis of these stars. Our models are publicly available and can be readily used as input for detailed supernova simulations.
The Cosmic Large-Scale Structure in X-rays (CLASSIX) Cluster Survey
Authors: Böhringer Hans , Chon Gayoung
Published: October 2021

It is important to map the large-scale matter distribution in the local Universe for cosmological studies, such as the tracing of the large-scale peculiar velocity flow, the characterisation of the environment for different astronomical objects, and for precision measurements of cosmological parameters. We used X-ray luminous clusters to map this matter distribution and find that about 51% of the groups and clusters are members of superclusters which occupy only a few percent of the volume. In this paper we provide a detailed description of these large-scale structures. With a friends-to-friends algorithm, we find eight superclusters with a cluster overdensity ratio of at least two with five or more galaxy group and cluster members in the cosmic volume out toz = 0.03. The four most prominent ones are the Perseus-Pisces, the Centaurus, the Coma, and the Hercules supercluster, with lengths from about 40 to over 100 Mpc and estimated masses of 0.6 − 2.2 × 1016 M⊙. The largest of these structures is the Perseus-Pisces supercluster. The four smaller superclusters include the Local and the Abell 400 supercluster and two superclusters in the constellations Sagittarius and Lacerta. We provide detailed maps, member catalogues, and physical descriptions of the eight superclusters. By constructing superclusters with a range of cluster sub-samples with different lower X-ray luminosity limits, we show that the main structures are always reliably recovered.
The peculiar abundances of HE 1005–1439
Authors: Goswami Partha Pratim , Goswami Aruna
Published: October 2021

Context. Understanding the surface chemical composition of carbon-enhanced metal-poor (CEMP) stars with enhanced abundances of heavy elements remains problematic.

Aims. One of the primary objectives is to investigate the origin of the peculiar abundance pattern observed in the carbon-enhanced extremely metal-poor object HE 1005–1439, which is enriched with both s-process and i-process nucleosynthesis products and thus forms a new class of object with a distinct abundance pattern.

Methods. We performed a detailed, high-resolution spectroscopic analysis of this object based on SUBARU/HDS spectra with a resolution R of ∼50 000. We utilised the line analysis method with measured equivalent widths of neutral and ionised lines due to various elements. Moreover, we calculated the spectrum synthesis of carbon molecular bands and lines due to elements with hyperfine structures to determine the elemental abundances. Abundances of ten light elements from C through Ni and 12 heavy elements Sr, Y, Ba, La, Ce, Pr, Nd, Eu, Dy, Er, Hf, and Pb were determined. We also performed a parametric-model-based analysis of the abundances of the heavy elements to understand the origin of the observed abundance pattern.

Results. For the first time, we came across an object with a surface chemical composition that exhibits contributions from both slow (s) and intermediate (i) neutron-capture nucleosynthesis. The observed abundance pattern is quite unique and has never been observed before in any CEMP stars. The star is found to be a CEMP-s star based on the CEMP stars’ classification criteria. However, the observed abundance pattern could not be explained based on theoretical s-process model predictions. On the contrary, our parametric-model based analysis clearly indicates its surface chemical composition being influenced by similar contributions from both the s- and i-process. We critically examined the observed abundances and carefully investigated the formation scenarios involving the s-process and the i-process that are available in literature, and we found that none of them could explain the observed abundances. We note that the variation we see in our radial velocity estimates obtained from several epochs may indicate the presence of a binary companion. Considering a binary system, we therefore propose a formation scenario for this object involving effective proton ingestion episodes triggering i-process nucleosynthesis followed by s-process asymptotic giant branch (AGB) nucleosynthesis with a few third-dredge-up episodes in the now extinct companion AGB star. Results obtained from the parametric-model-based analysis are discussed in light of existing stellar evolutionary models.
Three new species of Creptotrema (Trematoda, Allocreadiidae) with an amended diagnosis of the genus and reassignment of Auriculostoma (Allocreadiidae), based on morphological and molecular evidence
Authors: Franceschini Lidiane , Aguiar Aline , Zago Aline Cristina , de Oliveira Fadel Yamada Priscilla , Bertholdi Ebert Mariana , da Silva Reinaldo José
Published: October 2021

Diversity of Creptotrema was investigated using morphological and molecular tools, including data for Creptotrema creptotrema (type-species). Three new species, parasites of Brazilian fishes, are described: Creptotrema conconae n. sp. (type-host, Imparfinis mirini Haseman), Creptotrema schubarti n. sp. (type-host, Characidium schubarti Travassos) and Creptotrema megacetabularis n. sp. (type-host, Auchenipterus osteomystax (Miranda Ribeiro)). The diagnosis of the genus was amended to include new features. The new species differ from each other mainly in terms of body shape, relative sucker size, and testes position. DNA sequences were obtained from Creptotrema spp. from Brazil, including 28S, ITS and COI. Genetic divergences among the new species and C. creptotrema varied from 2.1 to 5.2% (21–49 bp) for 28S, and 6.6 to 16.4% (21–45 bp) for COI. Phylogenetic analysis (28S) placed the newly generated DNA sequences of Creptotrema in a clade (Creptotrema clade sensu stricto) composed of C. creptotrema, the new species described herein, and all species previously described as Auriculostoma, revealing that Auriculostoma is best interpreted as a synonym of Creptotrema based on the principle of priority of zoological nomenclature. Creptotrema funduli, the single sequence of the genus previously available, was not grouped within the Creptotrema clade sensu stricto, suggesting the need for reevaluation of the taxonomic status of this species. Our results showed that Creptotrema represents a monophyletic genus of trematodes widely distributed across the Americas, which currently comprises 19 valid species of parasites of teleosts and anurans.
Challenging diagnostic work-up of a massive fluid-filled structure in the cranial abdomen of a cat
Authors: Fels Lena , Hungerbühler Stephan , Dziallas Peter , Kramer Sabine , Becker Kathrin , Beineke Andreas , Mischke Reinhard
Published: October 2021

A 9-year-old female, neutered European shorthair cat was presented with acute vomiting, obvious jaundice and painful enlargement of the abdomen. Icteric skin and mucous membranes in addition to severe bilirubinaemia (mainly direct bilirubin) and a large increase in liver enzyme activities were the main findings at the initial examination. Radio- and ultrasonographic evaluation revealed a massive fluid-filled structure caudal to the liver displacing abdominal organs, in particular the stomach. As this structure with a diameter of 8–10 cm occupied considerable space in the cranioventral abdomen, a detailed ultrasonographic examination of the liver and the gallbladder, and determination of the structure’s association with a particular abdominal organ was initially impossible. Via ultrasound-assisted puncture under general anaesthesia 300 ml of an almost clear fluid could be aspirated. Cytological examination revealed a cyst content-like fluid with cell detritus.

Further ultrasonographic and computed tomographic diagnostics followed by abdominal laparotomy finally enabled diagnosis of a cystic dilatation of the entire common bile duct and accumulation of white bile. Histopathological examination after euthanasia (requested by the owner) identified lymphoplasmacytic cholangitis and necrosis of the duodenal papilla. The massive dilatation of the common bile duct complicated its definite diagnosis by diagnostic imaging methods. It was most likely caused by a longer-standing obstruction of the bile flow by lymphoplasmacytic cholangitis with necrosis and granulation tissue formation in the area of the duodenal papilla. An interesting but initially misleading feature was the presence of white bile. The etiology of this extremely rare condition remains obscure but in the described case a manifestation of impaired hepatocyte function secondary to biliary stasis is suspected to be the cause.
Internal Load of Female Varsity Ice Hockey Players During Training
and Games During a Season
Authors: Bigg Jessica Lynne , Gamble Alexander Shand Davis , Spriet Lawrence L.
Published: October 2021

This study quantified internal load, using sessional rating of perceived exertion
(sRPE) and heart-rate derived training impulse (TRIMP), of female varsity ice
hockey players throughout a season. Twenty-four female
(19.8±1.4 yr, 68.0±6.9 kg) varsity ice hockey
players participated in this prospective cohort study. Internal load was
captured using sRPE and TRIMP for each on-ice session. Internal load was
significantly higher (p<0.05) for games (sRPE:
324±202 AU, TRIMP: 95±60 AU) compared to
training (sRPE: 248±120 AU, TRIMP: 68±32 AU).
Overall, goalies had a higher internal load than forwards (sRPE and TRIMP) and
defence (TRIMP), with no differences between forwards and defence. Micro-cycle
periodization was present, with training sessions several days prior to game
days having the highest internal load (sRPE and TRIMP) and tapering down as
subsequent training sessions approached game day. For the meso-cycle assessment,
for both training and competition combined, the post-season sRPE was greater
than the pre-season (p=0.002) and regular season (p<0.001).
Lastly, the association between sRPE and TRIMP, revealed a large, statistically
significant relationship (r=0.592, p<0.001). Internal load was
greater during competitions, training sessions and subsequent internal loads
suggested prioritization around game days, the post-season phase demanded the
highest internal load and there was a strong correlation between sRPE and
TRIMP.
Wie man mit der Ernährung Einfluss auf Fettstoffwechselstörungen nehmen kann
Authors: Römmele Petra
Published: October 2021

Mit einer Änderung der Ernährungsgewohnheiten können Lipoproteinämien positiv beeinflusst werden. Dabei gilt es, auf eine ausgeglichene Energiebilanz zu achten, Übergewicht zu reduzieren sowie die Zufuhr einzelner Nährstoffe über eine veränderte Lebensmittelauswahl anzupassen. Eine pflanzenreiche Ernährung, reich an Pflanzenölen, fermentierten Milchprodukten und Vollkornprodukten, bei gleichzeitig geringem Konsum von fettem Fleisch und Zucker, ist vorteilhaft. Funktionelle Lebensmittel können ergänzend verwendet werden. Ernährungsformen wie die mediterrane Ernährung oder die DASH-Diät vereinen wichtige Prinzipien der Ernährung bei Lipoproteinämien und können eine gute Basis einer veränderten Ernährungsweise sein.
Group-Selective Approaches to Complex Natural Product Synthesis: Three Examples of Diastereotopos-Selective Reactions
Authors: Ohmori Ken , Suzuki Keisuke
Published: October 2021

This Account showcases three diastereotopos-selective reactions exploited in our complex natural syntheses.

1 Introduction

2 Malyngolide: Hydroalumination of Bisalkynyl tert-Alcohols

3 Cavicularin: Acetal Cleavage

4 Carthamin: Bromoacetoxylation

5 Conclusions
Modified Technique for Retrograde Cerebral Perfusion during Hemiarch Aortic Replacement
Authors: Kouchoukos Nicholas T. , Haynes Marc , Hester Sarah , Castner Catherine F.
Published: October 2021

Background Uncertainty remains regarding the optimal method of brain protection for procedures that require repair or replacement of the aortic arch. We examined the early outcomes of a technique for brain protection in patients undergoing partial aortic arch (hemiarch) replacement that involves deep hypothermic circulatory arrest (DHCA) and retrograde cerebral perfusion (RCP) of cold blood from the superior vena cava toward the end of the arrest interval.

Methods During a recent 15-year interval, 520 patients underwent elective or urgent/emergent ascending aortic and hemiarch replacement as an isolated (47 patients) or combined (473 patients) procedure employing DHCA (mean nasopharyngeal temperature at circulatory arrest, 17.1°C and mean duration, 19.3 minutes) supplemented with RCP of cold blood from the superior vena cava toward the end of the arrest interval (mean, 6.7 minutes). The mean age of the patients was 59.5 years, and 65% were male.

Results The in-hospital and 30-day mortality rates were 1.2% (six patients). Seven patients (1.4%) sustained a stroke and 19 patients (3.7%) had transient neurologic dysfunction that completely resolved by the time of hospital discharge. Four patients (0.77%) developed postoperative renal failure requiring dialysis. Twenty-one patients (4%) required ventilator support for >48 hours and five patients (0.96%) required a tracheostomy. The median hospital length of stay was 6 days.

Conclusion DHCA with a brief interval of RCP is a safe and effective technique for brain protection during hemiarch aortic replacement. RCP reduces the duration of brain ischemia and permits removal of particulate matter and air from the arterial circulation.
A High-Echoic Layer Surrounding the Heart Suggesting Cardiac Tamponade by Clotting
Authors: Takeuchi Ikuto , Shitara Jun , Yanagawa Youichi
Published: October 2021

A 16-year-old boy experienced a sudden loss of consciousness. On arrival, he was in cardiac arrest. An ultrasound study revealed a high-echoic layer surrounding the heart. He received a diagnosis of clotting cardiac tamponade. Urgent thoracotomy with pericardiotomy was performed, but he failed to obtain return of spontaneous circulation. Physicians should focus on not only low-echoic but also high-echoic areas to accurately diagnose clotting, which can result in a critical condition if not managed properly.
Parent Activation in the Neonatal Intensive Care Unit
Authors: Skeens Ryan , Cavanaugh Kerri L. , Cronin Robert , Chen QinGxia , Liu Yuhan , Huth Hannah , Jackson Gretchen P.
Published: October 2021

Objective Patient activation is the knowledge, skills, and confidence to manage one's health; parent activation is a comparable concept related to a parent's ability to manage a child's health. Activation in adults is a modifiable risk factor and associated with clinical outcomes and health care utilization. We examined activation in parents of hospitalized newborns observing temporal trends and associations with sociodemographic characteristics, neonate characteristics, and outcomes.

Study Design Participants included adult parents of neonates admitted to a level-IV neonatal intensive care unit in an academic medical center. Activation was measured with the 10-item Parent version of the Patient Activation Measure (P-PAM) at admission, discharge, and 30 days after discharge. Associations with sociodemographic variables, health literacy, clinical variables, and health care utilization were evaluated.

Results A total of 96 adults of 64 neonates were enrolled. The overall mean P-PAM score on admission was 81.8 (standard deviation [SD] = 18), 88.8 (SD = 13) at discharge, and 86.8 (SD = 16) at 30-day follow-up. Using linear mixed regression model, P-PAM score was significantly associated with timing of measurement. Higher P-PAM scores were associated with higher health literacy (p = 0.002) and higher in mothers compared to fathers (p = 0.040). There were no significant associations of admission P-PAM scores with sociodemographic characteristics. Parents of neonates who had a surgical diagnosis had a statistically significant (p = 0.003) lower score than those who did not. There were no associations between discharge P-PAM scores and neonates' lengths of stay or other indicators of illness severity.

Conclusion Parental activation in the NICU setting was higher than reported in the adult and limited pediatric literature; scores increased from admission to discharge and 30-day postdischarge. Activation was higher in mothers and parents with higher health literacy. Additional larger scale studies are needed to determine whether parental activation is associated with long-term health care outcomes as seen in adults.

Key Points
A perspective on twisted light from on-chip devices
Authors: Yang Hui , Xie Zhenwei , He Hairong , Zhang Qiang , Yuan Xiaocong
Published: October 2021

Twisted light, with spatially varying phase or polarization, has given rise to various applications, such as micro-particle manipulation, optical communication, and quantum information processing. In recent decades, to bring these applications into reality, various configurations such as conventional spiral phase plates, computer-generated holograms, metasurface-based setups, and on-chip devices have been explored for twisted light generation. In this Perspective, we focus on recent progress in generation twisted light from typical on-chip devices such as waveguides, plasmonic nanoslits, whispering gallery mode configurations, and meta-gratings. We aim at highlighting the key research advances and technical challenges in on-chip twisted light generation. Finally, we outlook the likely future trend of this emerging research field.
A novel hybrid forecasting system based on data augmentation and deep learning neural network for short-term wind speed forecasting
Authors: Zhang Nan , Xue Xiaoming , Jiang Wei , Shi Liping , Feng Chen , Gu Yanhui
Published: October 2021

As a clean, economical, and renewable energy source, wind energy plays a very important role in easing the shortage of fossil energy, environmental population, and climate change. However, due to the strong intermittency, volatility, and randomness of wind speed, the large-scale connection of wind energy into the power grid is restricted. Therefore, constructing a reliable prediction model to achieve high-accuracy wind speed prediction is necessary. For this purpose, a novel hybrid model for short-term wind speed prediction is proposed in this paper. First, empirical mode decomposition is employed to decompose the raw wind speed time series into a set of subseries. Then, a data augmentation technique is first used to generate more training data to avoid overfitting of the prediction model. Furthermore, a new predictor based on a convolutional neural network (CNN), a long short-term memory (LSTM) network, and an extreme learning machine (ELM) is proposed for deterministic wind speed prediction, where a fuzzy entropy-based partition strategy is implemented to assign subseries to the CNN-LSTM and ELM. To improve the prediction performance, a synchronous optimization method based on an improved hybrid particle swarm optimization/gray wolf optimizer is proposed for feature selection and parameter optimization. Afterward, kernel density estimation is used to estimate the wind speed probability density function for probabilistic prediction. Finally, the performance of the proposed model is compared with seven other models by using three wind speed datasets from four aspects: point prediction, interval prediction, probability prediction comprehensive performance, and prediction reliability. The experimental results show that the proposed method achieves excellent performance on wind speed time series prediction.
Polycrystal plasticity with grain boundary evolution: a numerically efficient dislocation-based diffuse-interface model
Authors: He Junyan , Admal Nikhil Chandra
Published: October 2021

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various manufacturing processes. To this end, we present a computationally efficient framework to describe the co-evolution of bulk plasticity and GBs. We represent GBs as diffused geometrically necessary dislocations, whose evolution describes GB plasticity. Under this representation, the evolution of GBs and bulk plasticity is described in unison using the evolution equation for the plastic deformation gradient, an equation central to classical crystal plasticity theories. To reduce the number of degrees of freedom, we present a procedure which combines the governing equations for each slip rates into a set of governing equations for the plastic deformation gradient. Finally, we outline a method to introduce a synthetic potential to drive migration of a flat GB. Three numerical examples are presented to demonstrate the model. First, a scaling test is used to demonstrate the computational efficiency of our framework. Second, we study the evolution of a tricrystal, formed by embedding a circular grain into a bicrystal, and demonstrate qualitative agreement between the predictions of our model and those of molecular dynamics simulations by Trautt and Mishin (2014 Acta Mater.
65 19–31). Finally, we demonstrate the effect of applied loading in texture evolution by simulating the evolution of a synthetic polycrystal under applied displacements.
Ab initio calculation of the ground and first excited states of the lithium dimer
Authors: Qi JianJun , Bai YuYao , Guo QianQian , Han Yong-Chang , Shundalau Maksim B
Published: October 2021

Based on a high level ab initio calculation which is carried out with the multireference configuration interaction method under the aug-cc-pVXZ (AVXZ) basis sets, X = T, Q, 5, the accurate potential energy curves (PECs) of the ground state

X

Σ

g

+

1

and the first excited state

A

Σ

u

+

1

of Li2 are constructed. By fitting the ab initio potential energy points with the Murrell–Sorbie potential function, the analytic potential energy functions (APEFs) are obtained. The molecular bond length at the equilibrium (R

e
), the potential well depth (D

e
), and the spectroscopic constants (B

e

, ω

e

, α

e
, and ω

e

χ

e
) for the

X

Σ

g

+

1

state and the

A

Σ

u

+

1

state are deduced from the APEFs. The vibrational energy levels of the two electronic states are obtained by solving the time-independent Schrödinger equation with the Fourier grid Hamiltonian method. All the spectroscopic constants and the vibrational levels agree well with the experimental results. The Franck–Condon factors (FCFs) corresponding to the transitions from the vibrational level (v′ = 0) of the ground state to the vibrational levels (v″ = 0–74) of the first excited state have been calculated. The FCF for the vibronic transition of

A

Σ

u

+

1

(v″ = 0) ←

X

Σ

g

+

1

(v′ = 0) is the strongest. These PECs and corresponding spectroscopic constants provide reliable theoretical references to both the spectroscopic and the molecular dynamic studies of the Li2 dimer.
Generation of laser-driven flyer dominated by shock-induced shear bands: A molecular dynamics simulation study
Authors: Geng Deshen , Liu Danyang , Lu Jianying , Chen Chao , Wu Junying , Li Shuzhou , Chen Lang
Published: October 2021

High-power pulsed lasers provide an ingenious method for launching metal foils to generate high-speed flyers for high-pressure loading in material science or aerospace engineering. At high-temperature and high-pressure laser-induced conditions, the dynamic response of the metals and the mechanism of flyer formation remain unclear. In this study, the overall process of the laser-driven aluminum flyer, including laser ablation, rupture of metal foil, and the generation of the flyer was investigated by molecular dynamics combined with the two-temperature model. It was found that under high laser fluence (over 1.3 J/cm2 with 200-fs laser pulse duration), the laser induced a shock wave with a peak pressure higher than 25 GPa, which led to shear bands expanding from the edge of the laser ablation zone in the foil. Compared with the cases of low laser fluence less than 0.5 J/cm2, the shear band induced by high laser fluence promotes the rupture of the foil and results in a high-speed flyer (> 1 km/s) with better flatness and integrity. In addition, the shock wavefront was found to be accompanied by aluminum crystal phase transformation from face-centered cubic (FCC) to body-centered cubic structure. The crystal structure reverts with the decrease of pressure, therefore the internal structure of the generated flyer is pure of FCC. The results of this study provide a better understanding of the laser-induced shock effect on the foil rupture and flyer quality and forward the development of the laser-driven flyer.
Pseudospin symmetric solutions of the Dirac equation with the modified Rosen–Morse potential using Nikiforov–Uvarov method and supersymmetric quantum mechanics approach
Authors: Chen Wen-Li , Okon I B
Published: October 2021

Employing the Pekeris-type approximation to deal with the pseudo-centrifugal term, we analytically study the pseudospin symmetry of a Dirac nucleon subjected to equal scalar and vector modified Rosen–Morse potential including the spin–orbit coupling term by using the Nikiforov–Uvarov method and supersymmetric quantum mechanics approach. The complex eigenvalue equation and the total normalized wave functions expressed in terms of Jacobi polynomial with arbitrary spin–orbit coupling quantum number k are presented under the condition of pseudospin symmetry. The eigenvalue equations for both methods reproduce the same result to affirm the mathematical accuracy of analytical calculations. The numerical solutions obtained for different adjustable parameters produce degeneracies for some quantum number.