bluuebunny/crossref_metadata_2025_split huggingface dataset:
An increase in the developmental tempo affects the secular trend in height in male Austrian conscripts birth cohorts 1951–2002
Authors: Kirchengast Sylvia , Juan Alfred , Waldhoer Thomas , Yang Lin 
Published: December 2022

AbstractObjectivesUsing population‐based data on height in Austria from birth cohort 1951 to 2002, we aim to evaluate the secular trends in height and developmental tempo among Austrian young men.MethodsData were obtained from the Austrian conscription medical examination. We included 1 205 112 conscripts (18–<20 years) who were born between 1951 and 2002 and 853 645 conscripts (17–<19 years) who were born between 1961 and 2002. Height was measured during the medical examination and was used to evaluate the secular trends of mean height over time. Furthermore, the mean difference in height between conscripts of 17‐ and 18 years old were compared across birth cohorts.ResultsThe mean height of conscripts aged 17 years increased by 2.2 cm (p < .0001) in between 1961 and 2002. The mean height of conscripts aged 18 years increased by 4.3 cm (p < .0001) between 1951 and 2002. However, the increase in mean height has slowed down since the 1970 s. The difference in mean height between 17 and 18 years old widened from about 0.1 cm in 1961 to 0.3 cm around 1970 and then steadily narrowed again to 0.1 cm at the end of the study period.ConclusionsThe increasing trend in height slows at the end of the 20th century, the developmental tempo at the population level, however, continued to increase. The difference in mean height between 17 and 18 years old narrowed, which may indicate that young men reached their final height earlier.
Optical Nonlinearity of Emerging ZrS2 and HfS2 Semiconductors
Authors: Lu Chunhui , Ge Yanqing , Luo Mingwei , Xu Xinlong 
Published: December 2022

AbstractCompatible with existing processing technology, chemical vapor deposition method is used to synthesize ZrS2 and HfS2 films a a large scale. The nonlinear optical properties are characterized by Z‐scan measurement with femtosecond pulses at 800 nm. The results show that saturable absorption happens in ZrS2 owing to the larger ground state absorption than the excited state absorption, while reverse saturable absorption appears in HfS2 due to the two‐photon absorption. The figure of merit values of ZrS2 (≈4.30 ± 0.12 × 10−15 esu cm) and HfS2 (≈6.0 ± 1.4 × 10−15 esu cm) are much larger than those of MoS2 and graphene in ultrafast nonlinear optical performance at the wavelength of 800 nm.
Stainless Steel‐Like Passivation Inspires Persistent Silicon Anodes for Lithium‐Ion Batteries
Authors: Lin Jie , Wang Laisen , Xie Qingshui , Luo Qing , Peng Dong‐Liang , Buddie Mullins C. , Heller Adam 
Published: December 2022

AbstractPassivation of stainless steel by additives forming mass‐transport blocking layers is widely practiced, where Cr element is added into bulk Fe−C forming the Cr2O3‐rich protective layer. Here we extend the long‐practiced passivation concept to Si anodes for lithium‐ion batteries, incorporating the passivator of LiF/Li2CO3 into bulk Si. The passivation mechanism is studied by various ex situ characterizations, redox peak contour maps, thickness evolution tests, and finite element simulations. The results demonstrate that the passivation can enhance the (de)lithiation of Li‐Si alloys, induce the formation of F‐rich solid electrolyte interphase, stabilize the Si/LiF/Li2CO3 composite, and mitigate the volume change of Si anodes upon cycling. The 3D passivated Si anode can fully retain a high capacity of 3701 mAh g−1 after 1500 cycles and tolerate high rates up to 50C. This work provides insight into how to construct durable Si anodes through effective passivation.
Aluminoborates as Nonlinear Optical Materials
Authors: Jiao Jiahao , Zhang Min , Pan Shilie 
Published: December 2022

AbstractUltraviolet (UV) and Deep‐UV (DUV, λ<200 nm) nonlinear optical (NLO) materials play a significant role to convert the wavelength of laser for producing UV/DUV coherent light in the laser industry. The Al [Ne]3s23p1 atom with empty d orbitals can form sp3, sp3d, and sp3d2 hybrid orbitals when bonding with O/F atoms, which leads to the construction of [AlOmFn] (m+n=4, 5, 6) units. Therein, aluminoborates have received intensive attention due to the effective structural and functional adjustment effects of the diverse Al−O/F units. Accordingly, numerous aluminoborates as candidates for the next generation of UV/DUV NLO materials were discovered. In this review, recently discovered aluminoborates are overviewed and analyzed, including their syntheses, crystal structure features, and second‐order NLO performances. We aim to provide the latest progress and outlook on the crystal chemistry of aluminoborates and boost the finding of the next NLO candidates with high performances.
Synthesis of Chiral Sulfoximines via Iridium‐Catalyzed Regio‐ and Enantioselective C−H Borylation: A Remarkable Sidearm Effect of Ligand
Authors: Song Shu‐Yong , Zhou Xiaoyu , Ke Zhuofeng , Xu Senmiao 
Published: December 2022

AbstractTransition metal‐catalyzed enantioselective C−H activation of prochiral sulfoximines for non‐annulated products remains a formidable challenge. We herein report iridium‐catalyzed enantioselective C−H borylation ofN‐silyl diaryl sulfoximines using a well‐designed chiral bidentate boryl ligand with a bulky side arm. This method is capable of accommodating a broad range of substrates under mild reaction conditions, affording a vast array of chiral sulfoximines with high enantioselectivities. We also demonstrated the synthetic utility on a preparative‐scale C−H borylation for diverse downstream transformations, including the synthesis of chiral version of bioactive molecules. Computational studies showed that the bulky side arm of the ligand confers high regio‐ and enantioselectivity through steric effect.
Folding‐Induced Promotion of Proton‐Coupled Electron Transfers via Proximal Base for Light‐Driven Water Oxidation
Authors: Noll Niklas , Groß Tobias , Shoyama Kazutaka , Beuerle Florian , Würthner Frank 
Published: December 2022

AbstractProton‐coupled electron‐transfer (PCET) processes play a key role in biocatalytic energy conversion and storage, for example, photosynthesis or nitrogen fixation. Here, we report a series of bipyridine‐containing di‐ to tetranuclear Ru(bda) macrocycles 2 C–4 C (bda: 2,2′‐bipyridine‐6,6′‐dicarboxylate) to promote O−O bond formation. In photocatalytic water oxidation under neutral conditions, all complexes 2 C–4 C prevail in a folded conformation that support the water nucleophilic attack (WNA) pathway with remarkable turnover frequencies of up to 15.5 s−1 per Ru unit respectively. Single‐crystal X‐ray analysis revealed an increased tendency for intramolecular π‐π stacking and preorganization of the proximal bases close to the active centers for the larger macrocycles. H/D kinetic isotope effect studies and electrochemical data demonstrate the key role of the proximal bipyridines as proton acceptors in lowering the activation barrier for the crucial nucleophilic attack of H2O in the WNA mechanism.
Lipid Analysis by Mass Spectrometry coupled with Laser Light
Authors: Kirschbaum Carla , Pagel Kevin 
Published: December 2022

AbstractLipids are small but complex biomolecules that feature an immense structural and functional diversity. The molecular structure and biological functions of lipids are intricately linked. Therefore, modern lipid analysis strives for complete structural elucidation and spatial mapping of individual species in tissues. Mass spectrometry is the uncontested key technology in lipidomics but cannot achieve this goal as a standalone technique. In particular, the distinction between frequently occurring isomers constitutes a major challenge. A promising step towards complete structural analysis of lipids consists in the coupling of mass spectrometry with laser light. Here we review recent advances in lipidomics applications employing laser‐induced ultraviolet and infrared photodissociation and ion spectroscopy, which substantially increase the gain in structural information. Fundamental concepts, instrumentation and promises of these powerful emerging techniques for future lipid analysis are outlined.
Near‐Infrared Spectroscopic Characterization of Cardiac and Renal Fibrosis in Fixed and Fresh Rat Tissue
Authors: Adegoke John A. , Gassner Callum , Sharma Varun J. , Patel Sheila K. , Jackett Louise , Afara Isaac O. , Raman Jaishankar , Burrell Louise M. , Wood Bayden R. 
Published: December 2022

AbstractInvited for this month‘s cover are the collaborating group(s) of Center for Biospectroscopy at Monash University and Austin Health at the University of Melbourne, University of Eastern Finland and the University of Queensland. The cover‐art shows a handheld near‐infrared spectroscopic probe to detect fibrosis in real time using a murine model. More information can be found in the Research Article by John A. Adegoke, Jaishankar Raman, Bayden R. Wood, and co‐workers.
Multiple Open and Closed Nodal‐Line Phonons in Solids with a 1 Space Group
Authors: Wang Xiaotian , Sun Tingting , Xie Chengwu , Yuan Hongkuan , Tie Yang , Zhang Zeying , Zhang Gang 
Published: December 2022

AbstractUnlike electron systems, the phonon system has its own advantages (such as no limitations regarding Fermi energy and the effect of spin‐orbit coupling) and, therefore, can be viewed as a unique platform to predict spinless nodal‐line states. Nodal‐line phonons can be divided into open and closed nodal‐line phonons from a mathematical point of view. In this work, using first‐principle calculations, we select Ba(AgS)2 and Ca(ZnP)2, with the space group 1, as examples of realistic materials to investigate the difference between the open and closed nodal‐line phonons. Two phonon band‐crossing points (PBCPs) along the K–Γ and H–A paths are present in their phonon spectra, and they correspond to closed nodal lines in Ba(AgS)2 and open nodal lines in Ca(ZnP)2, respectively. The difference between these two types nodal‐line phonons is explained through symmetry analysis. All the nodal‐line phonons are topologically nontrivial, with the prominent phonon surface states well separated from the bulk states, favorable for experimental detection. This work offers a deep understanding of the open and closed nodal‐line phonons. It also proposes ideal candidates with multiple open and closed nodal‐line phonons for follow‐up experimental confirmation.
Synthesis of green emissive terbium(III) complexes for displays: Optical, electrochemical and photoluminescent analysis
Authors: Nehra Kapeesha , Dalal Anuj , Hooda Anjli , Saini Raman Kumar , Singh Devender , Kumar Sumit , Malik Rajender Singh , Kumar Ramesh , Kumar Parvin 
Published: December 2022

AbstractA series of heteroleptic terbium(III) complexes with fluorinated 2‐thenoyltrifluoroacetone (TTFA) and other heteroaromatic units have been synthesized. The developed heteroleptic complexes were inspected via elemental study, cyclic voltammetry, thermal analysis and spectroscopic investigations. Optical band‐gap data proposed the conducting property of prepared complexes. The photoluminescence emission profiles illustrated peaks based on terbium(III) cation (Tb3+) positioned at ~617, 586, 546 and 491 nm, imputed to 5D4 to 7FJ (J = 3,4,5,6) transitions separately. Most intense peak at 546 nm corresponding to 5D4 → 7F5 transition is accountable for the green emissive character of developed complexes. The luminous character of complexes reveals the sensitization of Tb3+ by ligands. Color parameters further corroborates the green emanation of Tb3+ complexes. The photometric characteristics of complexes recommended their usages in designing display devices.
Simultaneous determination and quality evaluation of 16 compounds in Ligustri Lucidi Fructus covering different regions and processed products using ultra‐high‐performance liquid chromatography‐mass spectrometry
Authors: Li Xiaoan , Jia Jianzhong , Li Tao , Zhao Zefeng , Ren Chaoxiang , Liu Haijing , Pei Jin 
Published: December 2022

AbstractA quantitative analysis method and a chemical pattern recognition method were developed to evaluate raw Ligustri Lucidi Fructus (LLF) from different regions and different processed products. In this study, a comprehensive strategy using ultra‐high‐performance liquid chromatography‐mass spectrometry quantitative analysis method was established for the simultaneous determination of 16 components in 47 batches of LLF covering 19 regions belonging to 8 provinces and 24 batches of different processed products (steamed LLF without auxiliary material, wine‐steamed LLF, salt‐steamed LLF, and vinegar‐steamed LLF). The results of this study indicated that the proposed method was reliable and accurate for the rapid analysis proved by detection limit, quantification limit, precision, and accuracy. Furthermore, principal component analysis and hierarchical cluster analysis were employed to analyze the experimental data, showing that the best‐quality samples of 47 batches of raw LLF were S47 (Lantian, Shaanxi), S39 (Pingyang‐2, Shandong), S38 (Pingyang‐1, Shandong), and S45 (Lingbao, Henan), whereas the worst‐quality samples were S7–S16 (Huzhou, Zhejiang). In 24 batches of processed products, the best‐quality samples were S48 (salt steamed 2 h), S60 (wine steamed 2 h), and S61 (wine steamed 4 h). Meanwhile, the heat map showed that the contents of triterpenoid saponins, including C16 (ursolic acid), C15 (oleanic acid), and C14 (maslinic acid), were higher than those of other compounds in 71 batches of samples. These results suggested that the quality of raw LLF in the central and northern regions was better than that in the southern regions, and regarding the processed products, different auxiliary materials had little effect on the quality of LLF, but steaming time of 2 h was appropriate. Briefly, this study proposed a multiparameter quantitative analysis method for the overall quality control of raw LLF samples covering different regions in China and different processed LLF.
An altered oral microbiota induced by injections of superparamagnetic iron oxide nanoparticle‐labeled periodontal ligament stem cells helps periodontal bone regeneration in rats
Authors: Shi Zihan , Jia Lu , Zhang Qian , Sun Liuxu , Wang Xinyue , Qin Xuan , Xia Yang 
Published: December 2022

AbstractStem cell injection is good for periodontal regeneration due to the capacity of stem cells to differentiate toward osteogenic direction and to regulate the production of pro‐ and anti‐inflammatory cytokines. However, injected cells are difficult to track in vivo. And there is microbiota in oral cavity, the dysbiosis of which leads to the damage and loss of periodontal tissue. Here, we demonstrated an enhanced periodontal repair was due to an altered oral microbiota. Periodontal defects were surgically prepared in rats, and periodontal ligament stem cells (PDLSCs) labeled by superparamagnetic iron oxide (SPIO) nanoparticles (PC‐SPIO) were injected, with PDLSCs and saline treatments as controls. Detected by magnetic resonance imaging (MRI) and histological staining, PC‐SPIO was major at limited areas in regenerated periodontal tissues. PC‐SPIO‐treated rats achieved better periodontal regeneration than the other two groups. Concurrently, the oral microbiota of PC‐SPIO‐treated rats was changed, presenting SPIO‐Lac as a biomarker. SPIO‐Lac assisted periodontal repair in vivo, inhibited the inflammation of macrophages induced by lipopolysaccharide (LPS) and antibacterial in vitro. Therefore, our study proved that SPIO‐labeled cells can be tracked in periodontal defect and highlighted a potential positive role of an oral microbiota in periodontal regeneration, suggesting the possibility of periodontal repair promotion by manipulating oral microbiota.
One‐year clinical and echocardiographic outcomes of transcatheter aortic valve replacement with SAPIEN 3 Ultra versus SAPIEN 3
Authors: Isogai Toshiaki , Agrawal Ankit , Shekhar Shashank , Spilias Nikolaos , Hodges Kevin , Yun James J. , Puri Rishi , Reed Grant W. , Krishnaswamy Amar , Kapadia Samir R. 
Published: December 2022

AbstractBackgroundThe newest‐generation balloon‐expandable valve, SAPIEN 3 Ultra (S3U), is expected to function well with the enhanced sealing skirt compared with SAPIEN 3 (S3). However, current literature on the comparison between these two valves is limited to short‐term follow‐ups. Therefore, we aimed to evaluate the 1‐year outcomes and echocardiographic changes of S3U compared with S3.MethodsWe retrospectively identified patients who underwent transfemoral‐transcatheter aortic valve replacement with S3U or S3 (20/23/26 mm) at our institution in 2018–2020. Outcomes were 1‐year clinical events and echocardiographic parameters, and were compared between S3U and S3 after adjustment with inverse probability of treatment weighting.ResultsThe S3U and S3 groups included 297 (25.7%) and 858 (74.3%) patients, respectively. There were no significant differences between the two groups in clinical events (death 5.8% vs. 5.5%, hazard ratio [HR] 1.07, 95% confidence interval [CI] 0.81–1.90; death or heart failure hospitalization 10.3% vs. 10.1%, HR 1.04, 95% CI 0.67–1.62). The S3U group had a lower prevalence of mild paravalvular leakage (PVL) (13.7% vs. 22.3%, p = 0.044), with similar moderate PVL (0.7% vs. 1.2%, p > 0.99). No significant differences were observed in aortic valve mean gradient and Doppler velocity index at 1 year. However, the S3U group had a larger increase in mean gradient from implantation to 1 year (median +4.70 vs. +1.63 mmHg, p < 0.001).ConclusionsS3U and S3 carried similarly favorable clinical event risks. Nonetheless, S3U was associated with less frequent mild PVL but a larger increase in transprosthetic gradient. Further studies are needed to determine the prognostic impact of these hemodynamic differences.
Redox Behavior of In−O−Ti Interface for Selective Hydrogenation of CO2 to CO in Doped In−TiO2 Catalyst
Authors: Dostagir Nazmul H. Md. , Fukuoka Atsushi , Shrotri Abhijit 
Published: December 2022

AbstractIn the CO2 hydrogenation reaction, selective synthesis of CO at low temperature and high pressure is needed to integrate the reverse water gas shift reaction with Fischer‐Tropsch synthesis. Here, we show that a mixed oxide catalyst prepared by doping indium (In) into TiO2 produces CO with the formation rate of 22 μmol g−1 s−1. The CO selectivity was more than 99 % at 350 °C and 3 MPa pressure. Moreover, the catalyst was durable for over 100 h on stream. During reaction the interfacial In3+−O−Ti4+ sites were first reduced in presence of H2 and then oxidized back with CO2 producing CO. Because of the redox mechanism, the formation of methanol and methane was limited. This study shows the development of a promoter‐free oxide catalyst for CO2 hydrogenation and the importance of the redox property at the oxide interface for selective hydrogenation of CO2 to CO under unfavorable conditions.
Novel Nitrogen‐Doped Porous Carbon with High Surface Areas Prepared from Industrial Alkali Lignin for Supercapacitors
Authors: Zheng Liang , Wang Xiaohui , Wang Huimei , Zhao Xin , Kong Fangong , Liu Yu 
Published: December 2022

AbstractAs a waste of the pulp and papermaking industry, industrial alkali lignin (IAL) was employed to prepare nitrogen‐doped porous carbon by pre‐carbonizing of lignin under a N2 atmosphere at 400 °C and carbonizing with the assistance of urea at 800 °C for 1 h. The porosity and surface chemical properties of the obtained porous carbons strongly depended on the alkaline environment of the lignin. The obtained porous carbons showed specific surface areas ranging from 1.759 m2 g−1 to 1482 m2 g−1 and nitrogen contents of 1.12 % to 7.78 %. The unique microstructure and nitrogen functionalities endowed the porous carbon with a high capacitance of 283.4 F g−1 in 6 mol L−1 KOH aqueous electrolytes. In addition, the optimal porous carbon exhibited excellent rate capability (212.0 F g−1 at 20 A g−1) and cycle durability (97.6 % after 10000 charge‐discharge cycles), making it a promising electrode material for supercapacitors.
A Neutral‐pH Aqueous Redox Flow Battery Based on Sustainable Organic Electrolytes
Authors: Montero Jorge , da Silva Freitas Williane , Mecheri Barbara , Forchetta Mattia , Galloni Pierluca , Licoccia Silvia , D'Epifanio Alessandra 
Published: December 2022

AbstractAqueous organic redox flow batteries (AORFBs) have gained increasing attention for large‐scale storage due to the advantages of decoupled energy and power, safe and sustainable chemistry, and tunability of the redox‐active species. Here, we report the development of a neutral‐pH AORFB assembled with a highly water‐soluble ferrocene 1,1‐disulfonic disodium salt (DS−Fc) and two viologen derivatives, 1,1’‐bis(3‐sulfonatopropyl)‐viologen (BSP−Vi) and Bis(3‐trimethylammonium)propyl viologen tetrachloride (BTMAP−Vi). Synthesized electrolytes showed excellent redox potential, good diffusion coefficient, and a good transfer rate constant. In particular, BSP−Vi has a more negative redox potential (‐0.4 V) than BTMAP−Vi (−0.3 V) and faster kinetics; therefore, it was selected to be assembled in an AORFB as anolyte, coupled with DS−Fc as catholyte.The resulting AORFB based on BTMAP−Vi/DS−Fc and BSP−Vi/DS−Fc redox couple had a high cell voltage (1.2 V and 1.3 V, respectively) and theoretical energy density (13 WhL−1 and 14 WhL−1 respectively) and was able to sustain 70 charge‐discharge cycles with energy efficiency as high as 97 %.
MOFs in Emerging Solar Cells
Authors: Dou Jie , Chen Qi 
Published: December 2022

Comprehensive SummaryMetal‐organic framework (MOF) materials have attracted intense scientific interest in the solar cell research community owing to their unique physiochemical properties and various preparation methods. The photovoltaic performance and stability of resultant optoelectronic devices can also be improved by adopting MOF materials. This review pays close attention to the summary and generalization of recent representative achievements in solar cells by utilizing MOFs, including dye‐sensitized solar cells, perovskite solar cells, organic solar cells, and so on. This mini‐review is expected to improve understanding of material properties and broaden the scope of future material applications.
Matrix compatibility and correlation mixture representation of generalized Gini's gamma
Authors: Koike Takaaki , Hofert Marius 
Published: December 2022

AbstractRepresentations of measures of concordance in terms of Pearson's correlation coefficient are studied. All transforms of random variables are characterized such that the correlation coefficient of the transformed random variables is a measure of concordance. Gini's gamma then is generalized and it is shown that the resulting generalized Gini's gamma can be represented as a mixture of measures of concordance that are Pearson's correlation coefficients of transformed random variables. As an application of this correlation mixture representation of generalized Gini's gamma, lower and upper bounds of the compatible set of generalized Gini's gamma, i.e., the collection of all square matrices of pairwise generalized Gini's gammas, are derived.
Cryo‐EM for Small Molecules
Authors: Cabral Angela , Cabral Julia Elise , McNulty Reginald 
Published: December 2022

AbstractIn recent years, protein structure analysis using cryo‐electron microscopy(cryo‐EM) has expanded and improved. In this review, we discuss many recent improvements to the field, the problems those improvements hope to solve, and some of the still unanswered questions. Most notably, this review will discuss improvements in resolving small or fragmented protein structures, as well as methods to improve the signal‐to‐noise ratio of the data by increasing image contrast using carbon‐based systems. We will also describe how, in the last 5 years, methodological improvements have allowed for better 3D image resolution by capturing a continuum of 3D images. We will provide examples of these methods in practice and discuss how these improved methods may be used in small‐molecule drug discovery and development. © 2022 Wiley Periodicals LLC.