bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sexual size and shape dimorphism in Turkish common toads (Bufo bufoLinnaeus 1758)
Authors: Dursun Cantekin , Gül Serkan , Özdemir Nurhayat 
Published: October 2021

AbstractDifferences in male and female traits (sexual dimorphism [SD]) are widespread in animals. Dimorphism in morphological characters evolves under the effect of environmental and genetic factors and is shaped by natural and sexual selection. In this study, intersexual differences in size and shape in common toad,Bufo bufo, populations in Turkey were investigated. For this, linear measurements of 27 body‐related morphometric characters in a sample of 140 individuals (70 males and 70 females) were compiled. The data were analyzed using univariate and multivariate statistical methods. The results show SD in body size with females having larger body size, a trait related with fecundity and thus probably under sexual selection. Body shape differences, which are associated with head width and dorsal head, are likely to prey size. Male‐biased differences observed in nasal characters and tympanum may also be associated with sexual selection (male–male competition). Our findings are consistent with previous studies of major of Anura and support a role for selection pressures acting differentially upon individuals from both sexes, resulting in the evolution of sexually dimorphic traits.
Impact of Imine Bond Orientations on the Geometric and Electronic Structures of Imine‐based Covalent Organic Frameworks
Authors: Xun Sangni , Li Hong , Sini Gjergji , Bredas Jean‐Luc 
Published: October 2021

AbstractMany efforts are currently devoted to improving the stability and crystallinity of imine‐based two‐dimensional (2D) covalent organic frameworks (COFs) given their wide range of potential applications. The variation in the relative orientations of the imine bonds has been found to be a critical factor that impacts the stacking of the 2D COF layers, leads to the formation of isomer structures, and influences the crystallinity of the final product. Most investigations to date have focused only on the structural properties, while the role of the imine orientations on the electronic properties has not been studied systematically. Here, we explore this effect by examining how the electronic band structures, electronic couplings, and effective masses evolve when considering four isomeric structures of an imine‐linked tetraphenyl‐pyrene naphthalene‐diimide COF. Our results provide an understanding of the impact of the imine orientations and how they need to be controlled to realize COF inter‐layer stackings that can lead to efficient cross‐plane electron transport. They can be used to guide the design and synthesis of imine‐based COFs for applications where charge transport needs to be optimized.
Crystal Structure Transformation in Hydrogen‐bonded Organic Frameworks via Ion Exchange
Authors: Liu Ying , Dai Juanjuan , Zhang Zhiguo , Yang Yiwen , Yang Qiwei , Ren Qilong , Bao Zongbi 
Published: October 2021

AbstractHydrogen‐bonded organic frameworks (HOFs) have emerged as rapidly growing porous materials while established permanent porosities are very fragile and difficult to stabilize due to weak hydrogen‐bonding interactions among building units. Herein, we report a stable hydrogen‐bonded metallotecton framework (termed as HOF‐ZJU‐102) that was constructed through hydrogen‐bonding networks between cationic metal‐organic complexes [Cu2(Hade)4(H2O)2]4+ (Hade=adenine) and GeF62− anions. The framework not only shows permanent porosity, but also exhibits efficient separation performance of C2H2/C2H4 at room temperature. More interestingly, its crystal structure could be irreversibly transformed into isostructural counterpart HOF‐ZJU‐101 by ion exchange in the SiF62− containing solution, evidenced by multiple characterization techniques including gas sorption measurements, 19F NMR spectra, FTIR and EDS. Utilizing such an ion exchange mechanism, the collapsed HOF‐ZJU‐102 could be restored into HOF‐ZJU‐101 by simply soaking in the salt solution.
Statistical disclosure control for continuous variables using an extended skew‐t copula
Authors: Chu Amanda M. Y. , Ip Chun Yin , Lam Benson S. Y. , So Mike K. P. 
Published: October 2021

AbstractIn this article, we extend the skew‐t data perturbation (STDP) to develop a new statistical disclosure control (SDC) method for data with continuous variables. In this new SDC method, we construct an extended skew‐t (EST) copula to release confidential data for third‐party usage. Using the EST copula for producing perturbed data, we can incorporate rich statistical information in the perturbed data while preserving the marginal distributions of the data. An advancement of this EST‐SDC method is to use a copula distribution, which allows generation of perturbed data from bivariate conditional EST copulas sequentially. We discuss the methodology of EST‐SDC and outline some statistical properties derived from copula theories. Simulations and a real data study are included to demonstrate how the EST‐SDC method can be applied and to compare with the STDP method.
The PINK1 repertoire: Not just a one trick pony
Authors: Pollock Liam , Jardine Jane , Urbé Sylvie , Clague Michael J. 
Published: October 2021

AbstractPTEN‐induced kinase 1 (PINK1) is a Parkinson's disease gene that acts as a sensor for mitochondrial damage. Its best understood role involves phosphorylating ubiquitin and the E3 ligase Parkin (PRKN) to trigger a ubiquitylation cascade that results in selective clearance of damaged mitochondria through mitophagy. Here we focus on other physiological roles of PINK1. Some of these also lie upstream of Parkin but others represent autonomous functions, for which alternative substrates have been identified. We argue that PINK1 orchestrates a multi‐arm response to mitochondrial damage that impacts on mitochondrial architecture and biogenesis, calcium handling, transcription and translation. We further discuss a role for PINK1 in immune signalling co‐ordinated at mitochondria and consider the significance of a freely diffusible cleavage product, that is constitutively generated and degraded under basal conditions.
A novel stability‐indicating HPLC method for the determination of enantiomeric purity of eluxadoline drug: Amylose tris(3,5‐dichlorophenyl carbamate) stationary phase
Authors: Yerra Sudhakar , Sharma Hemantkumar , B Sreenivasulu , K Mohana Naidu , B Venkateswara Rao 
Published: October 2021

AbstractA simple and sensitive stability‐indicating chiral HPLC method has been developed and validated per International Conference on Harmonization guidelines for the determination of enantiomeric purity of eluxadoline (Exdl). The impact of different mobile phase compositions and chiral stationary phases on the separation of Exdl enantiomer along with process‐ and degradation‐related impurities has been studied. Homogeneity of Exdl and stable results of Exdl enantiomer in all degraded samples reveal the fact that the proposed method was specific (stability indicating). Amylose tris(3,5‐dichlorophenyl carbamate) stationary phase column Chiralpak IE‐3 (150 × 4.6 mm, 3 μm) provided better resolution with polar organic solvents than cellulose derivative, crown ether, and zwitterion stationary phases and nonpolar solvents. The mobile phase consisted of acetonitrile, tetrahydrofuran, methanol, butylamine, and acetic acid in the ratio of 500:500:20:2:1.5 (v/v/v/v/v). Isocratic elution was performed at a flow rate of 1.0 mL/min, column temperature of 35°C, injection volume of 10 μL, and UV detection of 240 nm. The United States Pharmacopeia (USP) resolution of the Exdl enantiomer was found to be more than 4.0 within a 65‐min run time. Exdl enantiomer detector response linearity over the concentration range of 0.859–4.524 μg/mL was found to be R2 = 0.9985. The limit of detection, limit of quantification, and average percentage recovery values were established as 0.283 μg/mL, 0.859 μg/mL, and 96.0, respectively.
Corporate accountability for biodiversity and species extinction: Evidence from organisations reporting on their impacts on nature
Authors: Hassan Abeer , Roberts Lee , Rodger Kimberly 
Published: October 2021

AbstractThe aim of this paper is to investigate to what extent organisations disclose on accountability for biodiversity and species extinction (B/E). We present some examples of what disclosure looks like from forward‐thinking companies that have been engaging in tremendous efforts to protect and preserve nature. Our justification for this paper is to provide guidance and encourage other companies to disclose transparently. We believe that B/E accountability is essential in post Covid‐19 reporting as the lack of valuing, promoting and investing in biodiversity is considered to be one of the main drivers of the Covid‐19 pandemic. The study's sample is the Top 200 companies from the Fortune Global with the years 2012, 2014 and 2016 and companies' websites in 2019. We believe that our paper is providing some guidance on how to repair nature and eliminate biodiversity loss. This is because organisations are reliant on natural capital resources for survival. Also, biodiversity loss and extinction can significantly affect social, economic and financial viability for survival. Our results have some implications for practitioners, policymakers and academics.
Does green transformational leadership lead to green innovation? The role of green thinking and creative process engagement
Authors: Begum Saira , Ashfaq Muhammad , Xia Enjun , Awan Usama 
Published: October 2021

AbstractThis study aims to provide an understanding of the role of green transformational leadership (GTL) and green innovation practices in organizations through cognitive processes: green thinking and creative process engagement (CPE). Using a survey questionnaire, we collected data from 342 respondents from high‐tech industries located in China. The data were examined through structural equation modeling (variance‐based) to analyze the hypotheses. The findings of the study show that GTL has a substantial effect on green thinking, CPE, and green innovation. The findings further reveal that green thinking and CPE mediate the relationship between GTL and green innovation. Green thinking and creative processes have become instrumental tools in fostering green innovation. Thus, this investigation provides novel insights into how to promote GTL and cognitive processes in organizations to solicit green innovation.
Polylysine for skin regeneration: A review of recent advances and future perspectives
Authors: Zarrintaj Payam , Ghorbani Sadegh , Barani Mahmood , Singh Chauhan Narendra Pal , Khodadadi Yazdi Mohsen , Saeb Mohammad Reza , Ramsey Joshua D. , Hamblin Michael R. , Mozafari Masoud , Mostafavi Ebrahim 
Published: October 2021

AbstractThere have been several attempts to find promising biomaterials for skin regeneration, among which polylysine (a homopolypeptide) has shown benefits in the regeneration and treatment of skin disorders. This class of biomaterials has shown exceptional abilities due to their macromolecular structure. Polylysine‐based biomaterials can be used as tissue engineering scaffolds for skin regeneration, and as drug carriers or even gene delivery vectors for the treatment of skin diseases. In addition, polylysine can play a preservative role in extending the lifetime of skin tissue by minimizing the appearance of photodamaged skin. Research on polylysine is growing today, opening new scenarios that expand the potential of these biomaterials from traditional treatments to a new era of tissue regeneration. This review aims to address the basic concepts, recent trends, and prospects of polylysine‐based biomaterials for skin regeneration. Undoubtedly, this class of biomaterials needs further evaluations and explorations, and many critical questions have yet to be answered.
Integrated analysis of patients with KEAP1/NFE2L2/CUL3 mutations in lung adenocarcinomas
Authors: Jin Xing , Zheng Yuansheng , Chen Zhencong , Wang Fei , Bi Guoshu , Li Ming , Liang Jiaqi , Sui Qihai , Bian Yunyi , Hu Zhengyang , Qiao Yulei , Xu Songtao 
Published: October 2021

AbstractObjectivesTo explore the clinical features, molecular characteristics, and immune landscape of lung adenocarcinoma patients with KEAP1/NFE2L2/CUL3 mutations.MethodsThe multi‐omics data from the GDC‐TCGA LUAD project of The Cancer Genome Atlas (TCGA) database were downloaded from the Xena browser. The estimate of the immune infiltration was implemented by using the GSVA analysis and CIBERSORT. The status of KEAP1/NFE2L2/CUL3 mutation in 50 LUAD samples of our department was detected by using Sanger sequencing, following the relative expression level of differentially expressed genes (DEGs), miRNAs (DEmiRNAs), and lncRNAs (DElncRNAs) was validated by IHC and real‐time quantitative polymerase chain reaction (RT‐qPCR).ResultsThe Kaplan–Meier and multivariable Cox regression analyses demonstrated that KEAP1/NFE2L2/CUL3 mutations had independent prognostic value for OS and PFS in LUAD patients. The differential analysis detected 207 upregulated genes (like GSR/UGT1A6) and 447 downregulated genes (such as PIGR). GO, KEGG, and GSEA analyses demonstrated that DEGs were enriched in glutamate metabolism and the immune response. The constructed ceRNA network shows the linkage of differential lncRNAs and mRNAs. Three hundred and nine somatic mutations were detected, alterations in immune infiltration DNA methylations and stemness scores were also founded between the two groups. Eight mutated LUAD patients were detected by Sanger DNA sequencing in 50 surgical patients. GSR and UGT1A6 were validated to express higher in the Mut group, whereas the expression of PIGR was restrained. Furthermore, the IHC staining conducted on paraffin‐embedded tissue emphasizes the consistency of our result.ConclusionThis research implemented the comprehensive analysis of KEAP1/NFE2L2/CUL3 somatic mutations in the LUAD patients. Compared with the wild type of LUAD patients, the Mut group shows a large difference in clinical features, RNA sequence, DNA methylation, and immune infiltrations, indicating complex mechanism oncogenesis and also reveals potential therapeutic targets.
Trends in grain quality of starch, protein, fat and lysine content for normal maize varieties in China since the 1960s
Authors: Lu Quanwei , Lu Chen , Zhou Zhenxing , Qin Xiaoliang , Xue Jiquan , Siddique Kadambot H. M. 
Published: October 2021

AbstractBackground and objectivesIn China, breeders overlook changes in grain quality traits of starch, protein, and fat content that occur concurrently in normal maize (Zea mays L.). Here, we collected data for 436 single‐cross normal maize varieties released since the 1960s and 258 landraces from China's three main agroecological regions to investigate how grain quality traits have changed over time.FindingsSince the 1960s, crude starch content has increased and protein content has decreased in northern China, crude starch content has increased and fat content has decreased in southwestern China and the Yellow‐Huai River Valley, and lysine content has increased in southwestern China only. In the 2010s, northern China and the Yellow‐Huai River Valley had the highest crude starch content, southwestern China had the highest crude protein content, and northern China had the highest crude fat content.ConclusionsBreeding since the 1960s has significantly changed the composition of maize seeds in the three main maize growing regions of China.Significance and noveltyThis study provides a worthy summary of the changes in grain quality traits of normal maize varieties in China in the last 50 years and insights into developing strategies for breeding grain quality.
Epidural abscess and spondylitis caused by Veillonella parvula in a man on hemodialysis
Authors: Kurihara Masaru , Tamaki Itaru , Tokuda Yasuharu 
Published: October 2021

AbstractVeillonella species rarely cause serious infections, but the incidence of infection has been increasing among immunocompromised individuals. This case of an epidural abscess and spondylitis caused by Veillonella parvula in a hemodialysis patient illustrates the importance of performing anaerobic blood culture in immunocompromised patients with signs of infection.
Inverting the Stereoselectivity of an NADH‐Dependent Imine‐Reductase Variant
Authors: Stockinger Peter , Borlinghaus Niels , Sharma Mahima , Aberle Benjamin , Grogan Gideon , Pleiss Jürgen , Nestl Bettina M. 
Published: October 2021

AbstractImine reductases (IREDs) offer biocatalytic routes to chiral amines and have a natural preference for the NADPH cofactor. In previous work, we reported enzyme engineering of the (R)‐selective IRED from Myxococcus stipitatus (NADH‐IRED‐Ms) yielding a NADH‐dependent variant with high catalytic efficiency. However, no IRED with NADH specificity and (S)‐selectivity in asymmetric reductions has yet been reported. Herein, we applied semi‐rational enzyme engineering to switch the selectivity of NADH‐IRED‐Ms. The quintuple variant A241V/H242Y/N243D/V244Y/A245L showed reverse stereopreference in the reduction of the cyclic imine 2‐methylpyrroline compared to the wild‐type and afforded the (S)‐amine product with >99 % conversion and 91 % enantiomeric excess. We also report the crystal‐structures of the NADPH‐dependent (R)‐IRED‐Ms wild‐type enzyme and the NADH‐dependent NADH‐IRED‐Ms variant and molecular dynamics (MD) simulations to rationalize the inverted stereoselectivity of the quintuple variant.
Selective Oxidation of Benzyl Alcohol in the Aqueous Phase by TiO2‐Based Photocatalysts: A Review
Authors: Luong Giang Kim Thi , Ku Young 
Published: October 2021

AbstractProduction processes of benzaldehyde have been studied intensively due to its wide range of applications in the industry. The selective oxidation of benzyl alcohol to benzaldehyde by TiO2 is promising as it can occur under mild conditions without toxic by‐products. This article mainly describes the challenges in the photooxidation of benzyl alcohol and the strategies to enhance both the efficiency and selectivity for benzaldehyde. Visible‐light response, charge separation, morphology, and reaction conditions have been listed as critical factors for this process. Different modification methods to improve the insufficient photocatalytic activity of TiO2, such as surface adjustments, metal/non‐metal doping, or semiconductor coupling, are presented. The perspectives for further research in this field are also discussed.
NMR Crystallography Reveals Carbonate Induced Al‐Ordering in ZnAl Layered Double Hydroxide
Authors: Radhakrishnan Sambhu , Lauwers Karl , Chandran C. Vinod , Trébosc Julien , Pulinthanathu Sree Sreeprasanth , Martens Johan A. , Taulelle Francis , Kirschhock Christine E. A. , Breynaert Eric 
Published: October 2021

AbstractLayered double hydroxides (LDHs) serve a score of applications in catalysis, drug delivery, and environmental remediation. Smarter crystallography, combining X‐ray diffraction and NMR spectroscopy revealed how interplay between carbonate and pH determines the LDH structure and Al ordering in ZnAl LDH. Carbonate intercalated ZnAl LDHs were synthesized at different pH (pH 8.5, pH 10.0, pH 12.5) with a Zn/Al ratio of 2, without subsequent hydrothermal treatment to avoid extensive recrystallisation. In ideal configuration, all Al cations should be part of the LDH and be coordinated with 6 Zn atoms, but NMR revealed two different Al local environments were present in all samples in a ratio dependent on synthesis pH. NMR‐crystallography, integrating NMR spectroscopy and X‐ray diffraction, succeeded to identify them as Al residing in the highly ordered crystalline phase, next to Al in disordered material. With increasing synthesis pH, crystallinity increased, and the side phase fraction decreased. Using 1H−13C, 13C−27Al HETCOR NMR in combination with 27Al MQMAS, 27Al‐DQ‐SQ measurements and Rietveld refinement on high‐resolution PXRD data, the extreme anion exchange selectivity of these LDHs for CO32− over HCO3− was linked to strict Al and CO32−ordering in the crystalline LDH. Even upon equilibration of the LDH in pure NaHCO3 solutions, only CO32− was adsorbed by the LDH. This reveals the structure directing role of bivalent cations such as CO32− during crystallization of [M2+4M3+2(OH)2]2+[A2−]1⋅yH2O LDH phases.
Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering
Authors: Ivanov Daniil M. , Bokach Nadezhda A. , Yu. Kukushkin Vadim , Frontera Antonio 
Published: October 2021

AbstractThis review highlights recent studies discovering unconventional halogen bonding (HaB) that involves positively charged metal centers. These centers provide their filled d‐orbitals for HaB, and thus behave as nucleophilic components toward the noncovalent interaction. This role of some electron‐rich transition metal centers can be considered an oxymoron in the sense that the metal is, in most cases, formally cationic; consequently, its electron donor function is unexpected. The importance of Ha⋅⋅⋅d‐[M] (Ha=halogen; M is Group 9 (Rh, Ir), 10 (Ni, Pd, Pt), or 11 (Cu, Au)) interactions in crystal engineering is emphasized by showing remarkable examples (reported and uncovered by our processing of the Cambridge Structural Database), where this Ha⋅⋅⋅d‐[M] directional interaction guides the formation of solid supramolecular assemblies of different dimensionalities.
Bilayer rGO‐Based Photothermal Evaporator for Efficient Solar‐Driven Water Purification[]**
Authors: Dong Weichao , Wang Yuchao , Zhang Yajing , Song Xiangju , Peng Hui , Jiang Heqing 
Published: October 2021

AbstractInterfacial evaporation has emerged as a promising approach to produce freshwater. However, an urgent concern is that, due to the illegal discharge of industrial wastewater, most water bodies are polluted by trace volatile organic compounds (VOCs), which are easily volatilized and enriched in the collected water during the interfacial evaporation process. Herein, a bilayer photothermal evaporator was reasonably designed for contaminated water purification. The bottom hydrophilic rGO‐sodium alginate (SA) sheets purposefully disintegrate water transport channels, thus quickly removing VOCs through physical adsorption. The rGO‐SA‐TiO2 upper layer sufficiently absorbs incident light and therefore persistently generates reactive oxidizing species to degrade upward VOCs. Notably, the oriented microchannels inside the evaporator allow sustained light reflections to improve the utilization of solar energy. The evaporation rate can reach 1.63 kg m−2 h−1 with a considerably high VOC removal efficiency of up to 96 %. Such an integrated bilayer evaporator provides an effective strategy to obtain clean water via solar distillation.
Indandione‐Terminated Quinoidal Compounds for Low‐Bandgap Small Molecules with Strong Near‐Infrared Absorption: Effect of Conjugation Length on the Properties
Authors: Sun Lei , Du Tian , Wang Cheng , Geng Dongling , Li Lin , Han Yang , Deng Yunfeng 
Published: October 2021

AbstractLow‐bandgap organic semiconductors have attracted much attention for their multiple applications in optoelectronics. However, the realization of narrow bandgap is challenging particularly for small molecules. Herein, we have synthesized four quinoidal compounds, i. e.,QSN3,QSN4,QSN5andQSN6, with electron rich S,N‐heteroacene as the quinoidal core and indandione as the end‐groups. The optical bandgap of the quinoidal compounds is systematically decreased with the extension of quinoidal skeleton, while maintaining stable closed‐shell ground state.QSN6absorbs an intense absorption in the first and second near‐infrared region in the solid state, and has extremely low optical bandgap of 0.74 eV. Cyclic voltammetry analyses reveal that the lowest unoccupied molecular orbital (LUMO) energy levels of the four quinoidal compounds all lie below −4.1 eV, resulting in good electron‐transporting characteristics in organic thin‐film transistors. These results demonstrated that the combination of π‐extended quinoidal core and end‐groups in quinoidal compounds is an effective strategy for the synthesis of low‐bandgap small molecules with good stability.