bluuebunny/crossref_metadata_2025 huggingface dataset:
Benchmarking laboratory processes to characterise low-biomass respiratory microbiota
Authors: Hasrat Raiza , Kool Jolanda , de Steenhuijsen Piters Wouter A. A. , Chu Mei Ling J. N. , Kuiling Sjoerd , Groot James A. , van Logchem Elske M. , Fuentes Susana , Franz Eelco , Bogaert Debby , Bosch Thijs
Published: August 2021

The low biomass of respiratory samples makes it difficult to accurately characterise the microbial community composition. PCR conditions and contaminating microbial DNA can alter the biological profile. The objective of this study was to benchmark the currently available laboratory protocols to accurately analyse the microbial community of low biomass samples. To study the effect of PCR conditions on the microbial community profile, we amplified the 16S rRNA gene of respiratory samples using various bacterial loads and different number of PCR cycles. Libraries were purified by gel electrophoresis or AMPure XP and sequenced by V2 or V3 MiSeq reagent kits by Illumina sequencing. The positive control was diluted in different solvents. PCR conditions had no significant influence on the microbial community profile of low biomass samples. Purification methods and MiSeq reagent kits provided nearly similar microbiota profiles (paired Bray–Curtis dissimilarity median: 0.03 and 0.05, respectively). While profiles of positive controls were significantly influenced by the type of dilution solvent, the theoretical profile of the Zymo mock was most accurately analysed when the Zymo mock was diluted in elution buffer (difference compared to the theoretical Zymo mock: 21.6% for elution buffer, 29.2% for Milli-Q, and 79.6% for DNA/RNA shield). Microbiota profiles of DNA blanks formed a distinct cluster compared to low biomass samples, demonstrating that low biomass samples can accurately be distinguished from DNA blanks. In summary, to accurately characterise the microbial community composition we recommend 1. amplification of the obtained microbial DNA with 30 PCR cycles, 2. purifying amplicon pools by two consecutive AMPure XP steps and 3. sequence the pooled amplicons by V3 MiSeq reagent kit. The benchmarked standardized laboratory workflow presented here ensures comparability of results within and between low biomass microbiome studies.
Author Correction: Proof-of-principle experiment for laser-driven cold neutron source
Authors: Mirfayzi S. R. , Yogo A. , Lan Z. , Ishimoto T. , Iwamoto A. , Nagata M. , Nakai M. , Arikawa Y. , Abe Y. , Golovin D. , Honoki Y. , Mori T. , Okamoto K. , Shokita S. , Neely D. , Fujioka S. , Mima K. , Nishimura H. , Kar S. , Kodama R.
Published: August 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Development of diabetes mellitus following hormone therapy in prostate cancer patients is associated with early progression to castration resistance
Authors: Hayashi Tomonori , Miyamoto Tomoyoshi , Nagai Noriaki , Kawabata Atsufumi
Published: August 2021

To identify risk factors for the prognosis of prostate cancer (PC), we retrospectively analyzed the impact of lifestyle-related disorders as well as PC characteristics at initial diagnosis on the progression to castration-resistant PC (CRPC) in PC patients undergoing hormone therapy. Of 648 PC patients, 230 who underwent hormone therapy and met inclusion criteria were enrolled in this study. CRPC developed in 48 patients (20.9%). Univariate analysis using Cox proportional hazard model indicated that newly developed diabetes mellitus (DM) following hormone therapy (postDM), but not preexisting DM, as well as PC characteristics at initial diagnosis including prostate-specific antigen (PSA) ≥ 18 were significantly associated with the progression to CRPC. A similar tendency was also observed in the relationship between newly developed hypertension following hormone therapy and CRPC progression. On the other hand, neither dyslipidemia nor hyperuricemia, regardless the onset timing, exhibited any association with CRPC progression. In multivariate analysis, postDM and PSA ≥ 18 were extracted as independent risk factors for CRPC progression (adjusted hazard ratios, 3.38 and 2.34; p values, 0.016 and 0.019, respectively). Kaplan–Meier analysis and log-rank test clearly indicated earlier progression to CRPC in PC patients who developed postDM or had relatively advanced initial PC characteristics including PSA ≥ 18. Together, the development of lifestyle-related disorders, particularly DM, following hormone therapy, as well as advanced PC characteristics at initial diagnosis is considered to predict earlier progression to CRPC and poor prognosis in PC patients undergoing hormone therapy.
Development of a new method for assessing otolith function in mice using three-dimensional binocular analysis of the otolith-ocular reflex
Authors: Harada Shotaro , Imai Takao , Takimoto Yasumitsu , Ohta Yumi , Sato Takashi , Kamakura Takefumi , Takeda Noriaki , Kitahara Tadashi , Kondo Makoto , Ueno Yuya , Shimada Shoichi , Inohara Hidenori
Published: August 2021

In the interaural direction, translational linear acceleration is loaded during lateral translational movement and gravitational acceleration is loaded during lateral tilting movement. These two types of acceleration induce eye movements via two kinds of otolith-ocular reflexes to compensate for movement and maintain clear vision: horizontal eye movement during translational movement, and torsional eye movement (torsion) during tilting movement. Although the two types of acceleration cannot be discriminated, the two otolith-ocular reflexes can distinguish them effectively. In the current study, we tested whether lateral-eyed mice exhibit both of these otolith-ocular reflexes. In addition, we propose a new index for assessing the otolith-ocular reflex in mice. During lateral translational movement, mice did not show appropriate horizontal eye movement, but exhibited unnecessary vertical torsion-like eye movement that compensated for the angle between the body axis and gravito-inertial acceleration (GIA; i.e., the sum of gravity and inertial force due to movement) by interpreting GIA as gravity. Using the new index (amplitude of vertical component of eye movement)/(angle between body axis and GIA), the mouse otolith-ocular reflex can be assessed without determining whether the otolith-ocular reflex is induced during translational movement or during tilting movement.
Postoperative outcomes of elderly patients undergoing partial nephrectomy
Authors: Ingels Alexandre , Duc Sophie , Bensalah Karim , Bigot Pierre , Paparel Philippe , Beauval Jean-Baptiste , Salomon Laurent , De La Taille Alexandre , Lang Hervé , Nouhaud François-Xavier , Batista Da Costa José , Dariane Charles , Baumert Hervé , Roupret Morgan , Waeckel Thibaut , Lebacle Cédric , Long Jean-Alexandre , Henon François , Patard Jean-Jacques , Doumerc Nicolas , Mejean Arnaud , Videau Marie-Neige , Bernhard Jean-Christophe
Published: August 2021

To describe clinical outcomes of patients aged 75 years and above after partial nephrectomy (PN), and to assess independent factors of postoperative complications. We retrospectively reviewed information from our multi-institutional database. Every patient over 75 years old who underwent a PN between 2003 and 2016 was included. Peri-operative and follow up data were collected. Multivariate logistic regression was performed to determine independent predictive factors of postoperative complications. We reviewed 191 procedures including 69 (40%) open-surgery, and 122 (60%) laparoscopic procedures, of which 105 were robot-assisted. Median follow-up was 25 months. The mean age was 78 [75–88]. The American Society of Anesthesiologist’s score was 1, 2, 3 and 4 in 10.5%, 60%, 29% and 0.5% of patients respectively. The mean tumor size was 4.6 cm. Indication of PN was elective in 122 (65%) patients and imperative in 52 patients (28%). The median length of surgery was 150(± 60) minutes, and the median estimated blood loss 200 ml. The mean glomerular filtration rate was 71.5 ml/minute preoperatively, and 62 ml/min three months after surgery. The severe complications (Clavien III-V) rate was 6.2%. On multivariate analysis, the robotic-assisted procedure was an independent protective factor of medical postoperative complications (Odds Ration (OR) = 0.31 [0.12–0.80], p = 0.01). It was adjusted for age and RENAL score, robotic-assisted surgery (OR = 0.22 [0.06–0.79], p = 0.02), and tumor size (OR = 1.13 [1.02–1.26], p = 0.01), but the patients age did not forecast surgical complications. Partial nephrectomy can be performed safely in elderly patients with an acceptable morbidity, and should be considered as a viable treatment option. Robotic assistance is an independent protective factor of postoperative complications.
Reveals of candidate active ingredients in Justicia and its anti-thrombotic action of mechanism based on network pharmacology approach and experimental validation
Authors: Hong Zongchao , Zhang Ting , Zhang Ying , Xie Zhoutao , Lu Yi , Yao Yunfeng , Yang Yanfang , Wu Hezhen , Liu Bo
Published: August 2021

Thrombotic diseases seriously threaten human life. Justicia, as a common Chinese medicine, is usually used for anti-inflammatory treatment, and further studies have found that it has an inhibitory effect on platelet aggregation. Therefore, it can be inferred that Justicia can be used as a therapeutic drug for thrombosis. This work aims to reveal the pharmacological mechanism of the anti-thrombotic effect of Justicia through network pharmacology combined with wet experimental verification. During the analysis, 461 compound targets were predicted from various databases and 881 thrombus-related targets were collected. Then, herb-compound-target network and protein–protein interaction network of disease and prediction targets were constructed and cluster analysis was applied to further explore the connection between the targets. In addition, Gene Ontology (GO) and pathway (KEGG) enrichment were used to further determine the association between target proteins and diseases. Finally, the expression of hub target proteins of the core component and the anti-thrombotic effect of Justicia’s core compounds were verified by experiments. In conclusion, the core bioactive components, especially justicidin D, can reduce thrombosis by regulating F2, MMP9, CXCL12, MET, RAC1, PDE5A, and ABCB1. The combination of network pharmacology and the experimental research strategies proposed in this paper provides a comprehensive method for systematically exploring the therapeutic mechanism of multi-component medicine.
Development of polyvinyl alcohol-based carbon nano fiber sheet for thermal interface material
Authors: Xiong Jiangling , Chen Siran , Choi Yongbum , Matsugi Kazuhiro
Published: August 2021

Polyvinyl alcohol (PVA)-based carbon nanofiber (CNF) sheets are fabricated as an innovative thermal interface material (TIM), which is a potential substitute for traditional TIMs. Five types of PVA-based CNF sheets were fabricated at different mass ratios of PVA:vapor-grown carbon fiber (VGCF) (1:0.100, 1:0.070, 1:0.050, 1:0.030, 1:0.025). The thickness of the PVA-based CNF sheets was 30–50 µm, which was controlled by the amount of VGCF. The microstructure of the CNF sheets indicated that VGCFs were arranged in random directions inside the sheet, and PVA was formed as a membrane between two VGCFs. However, many pores were found to exist between the VGCFs. The porosity of the PVA-based CNF sheets decreased from 25 to 13% upon decreasing the mass ratio of VGCF from 43.38 to 16.13%. The density and Shore hardness of all CNF sheets were 1.03–1.15 × 106 g m−3 and 82.4–85.0 HS, respectively. The highest thermal conductivity, measured as the mass ratio of PVA:VGCF, was achieved at 1:0.05, with the in-plane thermal conductivity of the fabricated sheet being 14.3 W m−1 k−1.
Electrocatalytic study of NiO-MOF with activated carbon composites for methanol oxidation reaction
Authors: Hanif Saadia , Iqbal Naseem , Noor Tayyaba , Zaman Neelam , Vignarooban K.
Published: August 2021

In this work, the methanol oxidation reaction is investigated on Ni based metal organic frameworks (MOF) and its composites with biomass derived activated carbon. NiO-MOF and composites with activated carbon were synthesized using hydrothermal method. SEM, EDX, and XRD, FTIR, TGA techniques were used for characterization of composites. The electrochemical activity of catalysts for oxidation of methanol was tested using cyclic voltammetry (CV) in 1 M KOH and 3 M CH3OH on glassy carbon electrode in three electrode setup. The electrochemical performance shows the effect of activated carbon concentration on methanol oxidation. The electro-oxidation catalyzed by NiO-MOF with activated carbon (40 mg) composite exhibits a peak current density of 182.72 mA/cm2 at 0.89 V potential with a scan rate of 50 mV/s making it a potential catalyst for electrocatalysis of methanol.
Light-driven untethered soft actuators based on biomimetic microstructure arrays
Authors: Jiang Wei , Ye Guoyong , Chen Bangdao , Liu Hongzhong
Published: August 2021

Light-driven untethered soft actuators, fabricated by an improved soft-lithography method based on photo-responsive materials and microstructures, can realize efficient motions and object grasping.
Analytical method development and validation of mucopolysaccharide polysulfate in topical formulations by size exclusion chromatography
Authors: Ergin Kızılçay Gamze , Ertürk Toker Sıdıka , Matur Dilek
Published: August 2021

In this study, a new size exclusion chromatographic method has been developed and validated for the analysis of mucopolysaccharide polysulfate used as an anti-inflammatory and antithrombotic agent in topical formulations.
Omics in the detection and identification of biosynthetic pathways related to mycotoxin synthesis
Authors: González-López Nicolás Mateo , Huertas-Ortiz Kevin Andrey , Leguizamon-Guerrero John Emerson , Arias-Cortés María Mercedes , Tere-Peña Claudia Patricia , García-Castañeda Javier Eduardo , Rivera-Monroy Zuly Jenny
Published: August 2021

Mycotoxins are secondary metabolites that are known to be toxic to humans and animals. Omics tools are important to establish prevention, control and mitigation strategies of mycotoxins in food.
Alkyl vs. aryl modifications: a comparative study on modular modifications of triphenylphosphonium mitochondrial vectors
Authors: Ong How Chee , Coimbra João T. S. , Kwek Germain , Ramos Maria J. , Xing Bengang , Fernandes Pedro A. , García Felipe
Published: August 2021

Alkyl chain extension and aryl methylation can be employed to enhance mitochondrial uptake in triphenylphosphonium vectors. Here we compare these complementary strategies and their mitochondrial-targeting effects using a modular synthetic approach.
Insights into auto-S-fatty acylation: targets, druggability, and inhibitors
Authors: Hu Lu , Tao Zhipeng , Wu Xu
Published: August 2021

Posttranslational S-fatty acylation (or S-palmitoylation) modulates protein localization and functions, and has been implicated in neurological, metabolic, and infectious diseases, and cancers.
An organodiselenide containing electrolyte enables sulfurized polyacrylonitrile cathodes with fast redox kinetics in Li–S batteries
Authors: Zhang Wei , Wu Qiang , Zeng Ziqi , Yu Chuang , Cheng Shijie , Xie Jia
Published: August 2021

A simple organoselenide-mediated strategy is proposed to dramatically accelerate the sulfur redox kinetics of a solid electrode, in which radical exchange in the solid–liquid interface will form dynamic S–Se bonds with higher electrochemical activity.
Intermolecular C–H silylation through cascade carbopalladation and vinylic to aryl 1,4-palladium migration
Authors: Cheng Cang , Zhu Qiongqiong , Zhang Yanghui
Published: August 2021

A palladium-catalyzed remote C–H silylation reaction has been developed through vinylic to aryl 1,4-palladium migration. This reaction leads to the formation of exocyclic alkene-containing 5-silylisoquinolines as the final products.
Deep-tissue real-time imaging of drug-induced liver injury with peroxynitrite-responsive 19F MRI nanoprobes
Authors: Li Ao , Li Lingxuan , Liu Xing , Chen Dongxia , Fan Yifan , Lin Hongyu , Gao Jinhao
Published: August 2021

Peroxynitrite-responsive self-assembled 19F NMR/MRI nanoprobes with a “turn-on” character were developed for deep-tissue real-time imaging of drug-induced liver injury (DILI) in living mice.
FeCl3-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions
Authors: Kang Zhengxin , Wu Qinghua , Guo Xing , Wang Long , Ye Yin , Yu Changjiang , Wang Hua , Hao Erhong , Jiao Lijuan
Published: August 2021

An oxidative aromatic coupling was developed to regioselectively provide directly 3,3′-linked BODIPY dimers, which exhibited remarkable redshifted absorption/emission with maxima up to 773/827 nm.
Calculations of the molecular interactions in 1,3-dibromo-2,4,6-trimethyl-benzene: which methyl groups are quasi-free rotors in the crystal?
Authors: Meinnel Jean , Zeroual Soria , Mahboub Mohammed Sadok , Boucekkine Abdou , Juranyi Fanni , Carlile Colin , Mimouni Mourad , Hamadneh Imad , Boudjada Ali
Published: August 2021

The calculation of the intra- and inter-molecular interactions in 1,3-dibromo-2,4,6-trimethyl-benzene explains why only Me2 is a quasi-free rotor in the crystal state.
Opportunities and challenges in microwave absorption of nickel–carbon composites
Authors: Deng Jiushuai , Bai Zhongyi , Zhao Biao , Guo Xiaoqin , Zhao Honghui , Xu Hui , Park Chul B.
Published: August 2021

The research progress of metal magnetic Ni absorbing materials, a variety of carbon-based absorbing materials, and Ni–C composites are reviewed. The basic challenges and opportunities are prospected.
Nanoconfinement and mass transport in metal–organic frameworks
Authors: Sharp Conor H. , Bukowski Brandon C. , Li Hongyu , Johnson Eric M. , Ilic Stefan , Morris Amanda J. , Gersappe Dilip , Snurr Randall Q. , Morris John R.
Published: August 2021

A comprehensive review of pioneering experimental and computational methods for exploring molecular transport in metal–organic frameworks.
Boosted dehydrogenation of ethane over porous vanadium-based single crystals
Authors: Duan Xiuyun , Ye Lingting , Xie Kui
Published: August 2021

Schematic illustration of the dehydrogenation of ethane over porous single crystals.
Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me2N)2C6H4)]2
Authors: Longhi Elena , Risko Chad , Bacsa John , Khrustalev Victor , Rigin Sergei , Moudgil Karttikay , Timofeeva Tatiana V. , Marder Seth R. , Barlow Stephen
Published: August 2021

[RuCp*(1,4-(Me2N)2C6H4)]2 is formed as mixture of stereoisomers with very different properties. One has the usual “exo,exo” structure and is air sensitive, while the unprecedented “exo,endo” isomers are more air-stable, yet stronger reductants.
Unexpected formation of a dodecanuclear {CoII6CuII6} nanowheel under ambient conditions: magneto-structural correlations
Authors: do Pim Walace D. , Silva Ingrid F. , da Silva Júnior Eufrânio N. , Stumpf Humberto O. , Oliveira Willian X. C. , Pedroso Emerson F. , Pinheiro Carlos B. , Journaux Yves , Fantuzzi Felipe , Krummenacher Ivo , Braunschweig Holger , Engels Bernd , Cano Joan , Julve Miguel , Pereira Cynthia L. M.
Published: August 2021

An unexpected heterobimetallic ring {CoII6CuII6} was synthesised by slow diffusion in water under ambient conditions and its dc magnetic properties were analysed through an effective Hamiltonian in the light of DFT type calculations.
Lessons learned from spiro-OMeTAD and PTAA in perovskite solar cells
Authors: Rombach Florine M. , Haque Saif A. , Macdonald Thomas J.
Published: August 2021

Organic semiconductors have become essential parts of thin-film electronic devices, particularly as hole transport layers in perovskite solar cells where they represent one of the major bottlenecks to further enhancements in stability and efficiency.
Construction of unimpeded proton-conducting pathways in solution-processed nanoporous polymer membranes
Authors: Tang Xiaohui , Ma Nattapol , Xu Hong , Zhang Huanhuan , Zhang Qinglei , Cai Linkun , Otake Ken-ichi , Yin Panchao , Kitagawa Susumu , Horike Satoshi , Gu Cheng
Published: August 2021

Uniform and amorphous proton-conducting membranes were produced based on solution processing of porous organic polymers. A new mechanism of on-skeleton proton exchange constructed unimpeded proton-conduction pathways throughout the whole membranes.
Quaternary type IV deep eutectic solvent-based tungsten oxide/niobium oxide photochromic and reverse fading composite complex
Authors: Ejeromedoghene Onome , Ma Xiangyu , Oderinde Olayinka , Yao Fang , Adewuyi Sheriff , Fu Guodong
Published: August 2021

An excellent photochromic material based on a WO3/Nb2O5 complex with the fast fading property for promising application in optical glasses/lenses and color display devices.
Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes
Authors: Kozáček Pavel , Dostál Libor , Hejda Martin , Mikysek Tomáš , Růžička Aleš , Erben Milan
Published: August 2021

A series of new ferrocene derivatives bearing 1,2,3-diazapnictolyl substituents were synthesised and their spectroscopic and electrochemical properties were studied.
Bimetallic organic framework-derived SnO2/Co3O4 heterojunctions for highly sensitive acetone sensors
Authors: Sun Lixia , Yuan Xueling , Sun Jianhua , Zhang Kewei , Liao Dankui , Chen Shan
Published: August 2021

Excellent gas-sensing performance of SnO2/Co3O4 is attributed to the synergistic effect of catalysis of Co3+ and the formation of p–n heterojunctions.
Photoelectrochemical H2 evolution on WO3/BiVO4 enabled by single-crystalline TiO2 overlayer modulations
Authors: Park Eunoak , Patil Santosh S. , Lee Hyeonkwon , Kumbhar Vijay S. , Lee Kiyoung
Published: August 2021

A feasible and simple surface modulation with single crystalline TiO2 is presented for a WO3/BiVO4 heterostructure via a spin coating strategy, exhibiting a remarkably high H2 evolution rate and excellent photostability.
Preparation of domoic acid analogues using a bioconversion system, and their toxicity in mice
Authors: Maeno Yukari , Kotaki Yuichi , Terada Ryuta , Hidaka Masafumi , Cho Yuko , Konoki Keiichi , Yotsu-Yamashita Mari
Published: August 2021

Domoic acid analogues were prepared by chemical synthesis and enzymatic stereoselective cyclization using a bioconversion system. The 7’-carbonyl group in the terminus of the side chain was suggested to be crucial for the toxicity in mice.
Genomics-driven discovery of chiral triscatechol siderophores with enantiomeric Fe(iii) coordination
Authors: Stow Parker R. , Reitz Zachary L. , Johnstone Timothy C. , Butler Alison
Published: August 2021

Synthesis and genome mining leverage access to diastereomers of the siderophore cyclic trichrysobactin. Computational modeling and CD spectroscopy address effects that ligand-based stereochemistry exerts on the configuration at Fe(iii).
Metal–organic framework (MOF) derived flower-shaped CoSe2 nanoplates as a superior bifunctional electrocatalyst for both oxygen and hydrogen evolution reactions
Authors: Sahu Nachiketa , Das Jiban K. , Behera J. N.
Published: August 2021

A jasmine-flower like CoSe2 nanoplates termed as MOF-D CoSe2 has been successfully derived from a cobalt MOF precursor, namely, ([Co3(tiron-bpy)2(bpy)(H2O)8]·(H2O)2) and tested as a bifunctional electrocatalyst in both acidic and alkaline media.
B-site cation inter-diffusion in yttrium substituted barium zirconate
Authors: Hasle Ida , Waldow Stephan P. , Gries Ute N. , De Souza Roger A. , Vøllestad Einar , Haugsrud Reidar
Published: August 2021

This study of B-site cation inter-diffusion in the bulk and grain-boundary of the ceramic proton conductor yttrium-substituted barium zirconate (BZY) show that BZY electrolytes are highly stable towards degradation related to B-site cation diffusion.
A comparative study of Bi, Sb, and BiSb for electrochemical nitrogen reduction leading to a new catalyst design strategy
Authors: Jang Youn Jeong , Evans Taylor A. , Samanta Bipasa , Zeng Keyu , Toroker Maytal Caspary , Choi Kyoung-Shin
Published: August 2021

The formation of a BiSb alloy develops partial charges on the surface, enhancing N2 adsorption and NH3 production.
Incomplete amorphous phosphorization on the surface of crystalline cobalt molybdate to accelerate hydrogen evolution
Authors: Qian Jin , Li Shanlin , Liu Qian , Ma Ruguang , Li Shengjuan , Wang Jiacheng
Published: August 2021

Incomplete amorphous phosphorization results in the formation of crystalline cobalt molybdate nanoparticles surrounded by amorphous cobalt phosphide (CoMoO4@a-CoPx) in the shell, which synergistically enhances the hydrogen-evolution activity in an alkaline solution.
Ultrafast transformation of PbI2 in two-step fabrication of halide perovskite films for long-term performance and stability via nanosecond laser shock annealing
Authors: Yang Huanrui , Song Chunpeng , Xia Tiancheng , Li Shifeng , Sun Dingyue , Liu Feng , Cheng Gary J.
Published: August 2021

Nanosecond laser shock annealing is used to induce ultrafast organic salt diffusion into the PbI2 layer to modulate the crystalline structure, residual tensile strain, and electron transport kinetics of perovskite films.
Highly efficient and stable broadband near-infrared-emitting lead-free metal halide double perovskites
Authors: Xiong Guangting , Yuan Lifang , Jin Yahong , Wu Haoyi , Qu Bingyan , Li Zhenzhang , Ju Guifang , Chen Li , Yang Shihe , Hu Yihua
Published: August 2021

A novel lead-free perovskite variant with controllable morphology evolution was developed as a highly efficient and stable broadband near-infrared emitter. High-temperature post-treatment boosted the PLQY of the broadband NIR emission by 13-fold.
Pyrene-based aggregation-induced emission luminogens (AIEgens) with less colour migration for anti-counterfeiting applications
Authors: Wang Xiaohui , Wang Lirong , Mao Xiaoyu , Wang Qingsong , Mu Zhongfei , An Li , Zhang Wan , Feng Xing , Redshaw Carl , Cao Changyong , Qin Anjun , Tang Ben Zhong
Published: August 2021

A series of pyrene-based AIEgens have been employed in the preparation of fluorescent inks with less colour migration for anti-counterfeiting applications over the ultra-low to high concentration range and avoids the ACQ effect.
Numerical solutions to linear transfer problems of polarized radiation
Authors: Benedusi Pietro , Janett Gioele , Belluzzi Luca , Krause Rolf
Published: August 2021

Context. Numerical solutions to transfer problems of polarized radiation in solar and stellar atmospheres commonly rely on stationary iterative methods, which often perform poorly when applied to large problems. In recent times, stationary iterative methods have been replaced by state-of-the-art preconditioned Krylov iterative methods for many applications. However, a general description and a convergence analysis of Krylov methods in the polarized radiative transfer context are still lacking.

Aims. We describe the practical application of preconditioned Krylov methods to linear transfer problems of polarized radiation, possibly in a matrix-free context. The main aim is to clarify the advantages and drawbacks of various Krylov accelerators with respect to stationary iterative methods and direct solution strategies.

Methods. After a brief introduction to the concept of Krylov methods, we report the convergence rate and the run time of various Krylov-accelerated techniques combined with different formal solvers when applied to a 1D benchmark transfer problem of polarized radiation. In particular, we analyze the GMRES, BICGSTAB, and CGS Krylov methods, preconditioned with Jacobi, (S)SOR, or an incomplete LU factorization. Furthermore, specific numerical tests were performed to study the robustness of the various methods as the problem size grew.

Results. Krylov methods accelerate the convergence, reduce the run time, and improve the robustness (with respect to the problem size) of standard stationary iterative methods. Jacobi-preconditioned Krylov methods outperform SOR-preconditioned stationary iterations in all respects. In particular, the Jacobi-GMRES method offers the best overall performance for the problem setting in use.

Conclusions. Krylov methods can be more challenging to implement than stationary iterative methods. However, an algebraic formulation of the radiative transfer problem allows one to apply and study Krylov acceleration strategies with little effort. Furthermore, many available numerical libraries implement matrix-free Krylov routines, enabling an almost effortless transition to Krylov methods.
Low Back Pain during Pregnancy and Delivery Outcomes
Authors: Fruscalzo Arrigo , Cocco Paolo , Londero Ambrogio P. , Gantert Markus
Published: August 2021

Aim To evaluate low back pain (LBP) incidence and impact throughout pregnancy in terms of women’s well-being and delivery outcomes.

Material and methods Cross-sectional prospective study conducted on singleton pregnancies at ≥37th gestational age admitted for delivery. Localization of LBP, intensity and frequency as well as derived functional disability status were assessed with a self-reported questionnaire. Main delivery outcomes including mode of delivery, and maternal or neonatal complications were recorded.

Results A total of 229 women participated in the study. LBP prevalence amounted to 55.9%, with the pain already present before pregnancy in 14.0% of the cases. The pain was mostly localized in the lower back (40.6%), symphysis (23.3%), and coccyx (20.5%). Both the frequency and intensity of pain gradually increased significantly during pregnancy, reaching 20 days/month (IQR=10–30) and 6/10 points (IQR=5–8) on a visual analog scale in the 3rd trimester (p<0.05). The extent of functional impairment also progressively increased up to 39/100 points (IQR=25–55, p<0.05). Women affected by LBP during pregnancy had a higher cesarean section rate during labor than women without LBP (11.9% vs. 28.9%, p<0.05). The risk was also significant in the multivariate analysis (OR=4.0, 95%CI=1.1–15.0, p<0.05). There was no difference in the rate of operative vaginal births or in the other outcomes considered.

Conclusions LBP is a common issue in pregnant women, accounting for increasing morbidity and invalidity, and leading to an increased cesarean section risk during labor.
Metabolic Conditions Including Obesity, Diabetes, and Polycystic Ovary Syndrome: Implications for Breastfeeding and Breastmilk Composition
Authors: Rassie Kate , Mousa Aya , Joham Anju , Teede Helena J.
Published: August 2021

Breastfeeding is internationally recognized as the recommended standard for infant nutrition, informed by evidence of its multiple benefits for both mother and baby. In the context of common metabolic conditions such as polycystic ovary syndrome, diabetes (type 1, type 2, and gestational), and obesity, breastfeeding may be particularly beneficial for both mother and infant. However, there is evidence of delayed lactogenesis and reduced breastfeeding rates and duration in women with these conditions, and the effects of altered maternal metabolic environments on breastmilk composition (and potentially infant outcomes) are incompletely understood. In this review, we explore the relationships between maternal metabolic conditions, lactogenesis, breastfeeding, and breastmilk composition. We examine relevant potential mechanisms, including the central role of insulin both in lactogenesis and as a milk-borne hormone. We also describe the bioactive and hormonal components of breastmilk and how these may link maternal and infant health.
Undiagnosed Behçet's Disease Complicated by Multiple Pseudoaneurysms and COVID-19 Infection
Authors: Mehta Aanchal , Shakarchi Julien Al , Meecham Lewis , Vijay Santhosh , Downing Richard
Published: August 2021

Behcet's disease (BD) is a rare multiorgan systemic disorder characterized by recurrent episodes of acute inflammation. Involvement of the vascular system, gastrointestinal tract, and central nervous system portends a poor prognosis.

We report the case of a 54-year-old man who presented with a 2-week history of symptoms attributable to infrarenal aortic and left tibioperoneal trunk pseudoaneurysms, defined by CT angiography which also revealed right lower lobe pulmonary artery (PA) and right anterior tibial arterial aneurysms. A prior history of recurrent oral ulceration, periodic fever, cerebral venous sinus thrombosis, and aseptic endocarditis with pulmonary emboli invoked a diagnosis of BD. Immunosuppression was commenced immediately, following synchronous endovascular and open arterial intervention, except the PA aneurysm.

He developed a fever and cough 8 days postoperatively as a consequence of COVID-19 infection from which he recovered without complications.

The management of the patient's four aneurysms in different vascular territories and postoperative COVID-19 infection in the presence of mandatory immunosuppression are discussed.
Informing a PCOS Lifestyle Program: Mapping Behavior Change Techniques to Barriers and Enablers to Behavior Change Using the Theoretical Domains Framework
Authors: Pirotta Stephanie , Joham A.E. , Moran L.J. , Skouteris H. , Lim S.S.
Published: August 2021

This article aimed to identify the behavior change techniques (BCTs) based on facilitators and barriers to lifestyle management in women with polycystic ovary syndrome (PCOS) according to the behavior change wheel (BCW). This qualitative study design using inductive thematic analysis following semistructured interviews (n = 20) identified barriers and enablers to lifestyle management. These were then mapped to Capability, Opportunity, Motivation—Behavioral Model (COM-B) constructs and the corresponding Theoretical Domains Framework (TDF) domains. This study included women with PCOS residing in Australia. Main outcome measures include intervention functions, policy categories, and BCTs described in the BCW. Twenty-three BCTs were recognized to influence behavior change in women with PCOS. Factors were categorized into the subcomponents of the COM-B: psychological capability (e.g., lack of credible information), physical capability (e.g., managing multiple health conditions), physical opportunity (e.g., limited access to resources), social opportunity (e.g., adequate social support), reflective motivation (e.g., positive health expectancies following behavior change), and automatic motivation (e.g., emotional eating). Future research should use this work to guide PCOS lifestyle intervention development and then test intervention effectiveness through an experimental phase to provide empirical evidence for wider use and implementation of tailored, theory-informed PCOS lifestyle programs as part of evidence-based PCOS management.
Optical and radioluminescence properties of ZnO:Zn as a function of reduction degree and treatment temperature
Authors: Favaro M. , Ceccato R. , Dirè S. , Callone E. , Quaranta A.
Published: August 2021

The aim of this work is to highlight the correlation between treatment conditions, composition, and structure of reduced zinc oxide (ZnO:Zn) with optical and radioluminescence properties for the production of high yield scintillating powders. Purchased zinc oxide (ZnO) powders (≈0.35 ± 0.15 μm) were thermally reduced in Ar/H2 (3%) atmosphere at temperatures ranging between 600 (≈0.40 ± 0.17 μm) and 1000 °C (≈6.4 ± 1.6 μm), obtaining ZnO:Zn powders. The reduction degree, evaluated through energy dispersive spectroscopy, showed a linear increase from 0% up to 20% (800 °C sample), reaching a plateau condition at about 25% for the highest treatment temperatures (1000 °C sample). Structural analysis highlighted the existence of a threshold temperature, previously reported in the literature, around 800 °C, beyond which (i) the grain size remarkably increases, (ii) the shape changes from hexagonal to round-shaped, and (iii) the intensity of electron spin resonance (ESR)-active defects at g = 1.9596 decreases for a new resonance at g = 2.0105. Additionally, a substantial variation, from 5.63 ± 0.02 down to 5.2 ± 0.1 g/cm3, of the skeletal density and a slight contraction of the optical bandgap are observed. Unlike the structural properties, PL and x-ray radioluminescence showed a continuous increase of the green emission intensity, associated with ESR-active ionized oxygen vacancies and ESR non-active recombination centers, and of the PL defective lifetimes (33 ns < τfast < 88 ns, 395 ns < τslow < 930 ns).
Polarized imaging of visible synchrotron emission from runaway electron plateaus in DIII-D
Authors: Popović Ž. , Hollmann E. M. , del-Castillo-Negrete D. , Bykov I. , Moyer R. A. , Herfindal J. L. , Shiraki D. , Eidietis N. W. , Paz-Soldan C. , Lvovskiy A.
Published: August 2021

A new approach to estimate the pitch angle of highly energetic postdisruption runaway electrons is presented by imaging the polarized runaway electron synchrotron emission. The vertical to horizontal polarization ratio is found to range between 3 and 14 in image-average studies looking at repeated shots as well as the polarization in a single discharge. Numerical studies with guiding center and full orbit simulations performed with the SOFT and KORC codes are given and compared to the experiment. The pitch angle evolution analyzed using a 1D impurity diffusion model in combination with kinetic simulations is also presented. These studies find agreement in the magnitude of the pitch angle, but not in the temporal rate of change of pitch angle. The measured pitch angle evolution timescale of order 50 ms falls between a modeled timescale of 20 ms in an equilibrium model and ≫100 ms in a nonequilibrium model.
RF surface resistance tuning of superconducting niobium via thermal diffusion of native oxide
Authors: Lechner E. M. , Angle J. W. , Stevie F. A. , Kelley M. J. , Reece C. E. , Palczewski A. D.
Published: August 2021

Recently, Nb superconducting radio frequency cavities vacuum heat treated between 300 and 400 °C for a few hours have exhibited very high quality factors (∼5 × 1010 at 2.0 K). Secondary ion mass spectrometry measurements of O, N, and C show that this enhancement in RF surface conductivity is primarily associated with interstitial O alloying via dissolution and diffusion of the native oxide. We use a theory of oxide decomposition and O diffusion to quantify previously unknown parameters crucial in modeling this process. RF measurements of a vacuum heat-treated Nb superconducting radio frequency cavity confirm the minimized surface resistance (higher Q0) previously expected only from 800 °C diffusive alloying with N.
A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF
Authors: Liu Qiong , Liu Lu , An Feng , Huang Jing , Zhou Yanzi , Xie Daiqian
Published: August 2021

We present a full-dimensional ab initio intermolecular potential energy surface (IPES) for the OC–HF van der Waals complex. 3167 ab initio points were computed at the frozen-core (FC) explicitly correlated coupled cluster [FC-CCSD(T)-F12b] level, with the augmented correlation-consistent polarized valence quadruple-zeta basis set plus bond functions. Basis set superposition error correction was also considered by the full counterpoise procedure. Gaussian process regression (GPR) was used to map out the potential energy surface, while a multipole expansion method was employed to smooth the ab initio noise of intermolecular potential in the long range. The global minimum of −1248.364 cm−1 was located at the linear configuration with the C atom pointing toward the H atom of the HF molecule. In addition, a local minimum of −602.026 cm−1 was found at another linear configuration with the O atom pointing toward the H atom of the HF molecule. The eigenstates were calculated on the vibrational averaged four-dimensional IPESs with the mixed radial discrete variable representation/angular finite basis representation method and Lanczos propagation algorithm. The dissociation energy D0 was calculated to be 701.827 cm−1, well reproducing the experimental value of 732 ± 2 cm−1. The dipole moment surfaces were also fitted by GPR from 3132 ab initio points calculated using the coupled cluster method [CCSD(T)] with AVTZ basis set plus bond functions. The frequencies and relative line intensities of rovibrational transitions in the HF (DF) and CO stretching bands were further calculated and compared well with the experimental results. These results indicate the high fidelity of the new IPES.
Concise characterization of cold atmospheric pressure helium plasma jet
Authors: Veda Prakash G. , Behera Narayan , Patel Kiran , Kumar Ajai
Published: August 2021

This article provides a concise methodology for the development of a cold atmospheric pressure plasma jet and its characterization. To optimize the plasma jet parameters for biological and industrial applications, it is highly necessary to thoroughly understand its characteristics. The major emphasis of this work is to utilize simple and advanced diagnostics systematically with low complexity in the post-data analysis and to obtain in situ information of plasma jet parameters. The detailed optimization methods and the effect of the applied voltage and gas flow rate to achieve the stable plasma jet of the desired dimensions are discussed. In addition, the effects of the gas flow rate on the discharge current profiles and filament behavior are provided. Moreover, optical techniques, such as optical emission spectroscopy and time-resolved fast imaging, are used for the characterization of plasma parameters, i.e., Texc and ne, in a simple way. The gas temperature along the length of the plasma jet is estimated using a K-type thermocouple. The discussed simple characterization techniques and range of parameters of our designed plasma source will be useful for the development and optimization of plasma jet sources for various biological and industrial applications. Furthermore, we have also discussed various applications where we can use the discoursed diagnostics for the system development as well as for characterization. As the characterization of cold atmospheric pressure plasma jets is a multiphysics study, this concise characterization report on the cold atmospheric pressure plasma aims to provide necessary information for early researchers.
An unexplored antipolar phase in HfO2 from first principles and implication for wake-up mechanism
Authors: Azevedo Antunes Luis , Ganser Richard , Alcala Ruben , Mikolajick Thomas , Schroeder Uwe , Kersch Alfred
Published: August 2021

Perturbing tetragonal HfO2 supercells in simulation with dopants or interstitial oxygen in the context of the ferroelectric Pca21 No. 29 (oIII-phase) formation frequently leads to an unexplored, lower energetic orthorhombic crystal phase with space group Pnma No. 62 (oV-phase). The crystal structure is inequivalent to cottunite oII-phase with the same space group but is closely related to the second ferroelectric Pmn21 No. 31 (oIV-phase) space group, as antipolar alignment. To explore the possibility of oIV- or oV-phase formation, we calculate the free energy in harmonic approximation and the energy landscape. Starting from the tetragonal P42/nmc No. 137 phase (t-phase), according to energy and activation barrier, the formation of the oV-phase is more favorable than that of the oIV-phase. Furthermore, exploring the energy landscape of the oIV–oV system, we find possible antiferroelectric-like behavior in HfO2 and Hf0.5Zr0.5O2, but not in ZrO2. We propose the formation of an oV-phase fraction as a possible structural explanation for a contribution to the wake-up phenomenon in HfO2. X-ray diffraction results on 10 nm Hf1−xZrxO2 thin films with varying Zr content are consistent with the claim.
PD-1 preferentially inhibits the activation of low-affinity T cells
Authors: Shimizu Kenji , Sugiura Daisuke , Okazaki Il-mi , Maruhashi Takumi , Takemoto Tatsuya , Okazaki Taku
Published: August 2021

Significance

Despite the success of anti–PD-1 cancer therapy, whether and how T cells with different antigen specificity and affinity are differentially regulated by PD-1 remain vaguely understood. By analyzing T cell receptors (TCRs) with different affinities to peptide–MHC complexes (pMHC) and pMHCs with different affinities to TCR, we show that PD-1 signaling specifically inhibits transcription of genes that are inducible by less efficient TCR signals through low TCR:pMHC affinity interactions. Accordingly, T cells with low-affinity to tumor-antigen were preferentially expanded in PD-1–deficient mice. Thus, PD-1 imposes qualitative control of T cell responses by preferentially suppressing low-affinity T cells. Precise and deeper understandings of the functional characteristics of PD-1 will support the development of effective and safe immunotherapies.
Profound Treg perturbations correlate with COVID-19 severity
Authors: Galván-Peña Silvia , Leon Juliette , Chowdhary Kaitavjeet , Michelson Daniel A. , Vijaykumar Brinda , Yang Liang , Magnuson Angela M. , Chen Felicia , Manickas-Hill Zachary , Piechocka-Trocha Alicja , Worrall Daniel P. , Hall Kathryn E. , Ghebremichael Musie , Walker Bruce D. , Li Jonathan Z. , Yu Xu G. ,   MGH COVID-19 Collection & Processing Team, Mathis Diane , Benoist Christophe , Lavin-Parsons Kendall , Parry Blair , Lilley Brendan , Lodenstein Carl , McKaig Brenna , Charland Nicole , Khanna Hargun , Margolin Justin , Gonye Anna , Gushterova Irena , Lasalle Tom , Sharma Nihaarika , Russo Brian C. , Rojas-Lopez Maricarmen , Sade-Feldman Moshe , Manakongtreecheep Kasidet , Tantivit Jessica , Thomas Molly Fisher
Published: August 2021

Significance

Regulatory T cells (Tregs) are responsible for restraining excessive inflammation, a hallmark of COVID-19. We identified a striking phenotype in Tregs from patients with severe disease, as well as an interesting role for interleukin (IL)-6 and IL-18. An increased suppressive profile, including increased Treg proportions, combined with the expression of proinflammatory mediators, distinguished severe patients and persisted in some of those recovered. This phenotype is in notable similarity to that found in tumor-infiltrating Tregs, which are generally associated with poor prognosis, and suggests both a detrimental role for these cells in COVID-19 as well as a potential explanation for some of the still largely unexplored complications associated with recovery.
Correlation between economy/efficiency and mountain biking cross‐country race performance
Authors: Inoue Allan , Lattari Eduardo , do Carmo Everton Crivoi , Rodrigues Guilherme Moraes , de Oliveira Bruno Ribeiro Ramalho , Santos Tony Meireles
Published: August 2021

This study investigated the correlation between cycling economy (CE) and gross efficiency (GE) in Olympic cross‐country mountain biking (XCO‐MTB) race performance. Also was examined the correlation between CE, GE, and peak oxygen uptake (VO2peak). Sixteen male XCO‐MTB athletes (30.9 ± 5.2 years, 68.7 ± 5.6 kg, 175.0 ± 5.7 cm, and VO2peak: 65.4 ± 4.9 mL·kg−1 min−1) completed two experimental sessions. On the first, anthropometric assessments and a maximal incremental test were performed. The maximal incremental test was performed in the cycle ergometer to determine VO2peak, CE, and GE. A week later, an XCO‐MTB race was performed in the second visit, where the official race time was used as a performance indicator. An inverse, significant moderate correlation was found between race time (8318.3 ± 459.0 s) and both CE (r = −0.53; CI95% = −0.84 to −0.10; p = 0.0008), and GE (r = −0.67; CI95% = −0.89 to −0.22; p = 0.0001). However, the moderate correlation between CE and race time showed low power. No significant correlation was found between VO2peak and either CE (r = −0.45; CI95% = −0.77–0.06; p = 0.08) or GE (r = −0.47; CI95% = −0.78–0.04; p = 0.07). In conclusion, gross efficiency is an important component of XCO‐MTB race performance. The VO2peak was not related to CE and GE. The evaluation of GE may be a useful addition to the battery of physiological tests in mountain bikers.

Highlights

The gross efficiency can be a performance indicator related to the Olympic cross‐country mountain biking race;

The cycling economy has a moderate association with race time, but its use as a measure related to Olympic cross‐country mountain biking race performance should be carried out with caution;

Despite VO2peak's influence on both cycling economy and gross efficiency measures, our results do not show a relationship with Olympic cross‐country mountain biking athletes.