bluuebunny/crossref_metadata_2025 huggingface dataset:
Rebound dynamics of two droplets simultaneously impacting a flat superhydrophobic surface
Authors: Wang Xin , Lin Dian‐Ji , Wang Yi‐Bo , Gao Shu‐Rong , Yang Yan‐Ru , Wang Xiao‐Dong
Published: July 2020

In this letter, we investigate the rebound dynamics of two equally sized droplets simultaneously impacting a superhydrophobic surface via lattice Boltzmann method (LBM) simulations. We discover three rebound regimes depending on the center‐to‐center distance between the two droplets: a complete‐coalescence‐rebound (CCR) regime, a partial‐coalescence‐rebound (PCR) regime, and a no‐coalescence‐rebound (NCR) regime. We demonstrate that all the rebound regimes are closely associated with dynamic behaviors of the formed liquid ridge or bridge between the two droplets. We also present the contact time in the three regimes. Intriguingly, although partial coalescence takes place, the contact time is still dramatically shortened in the PCR regime, which is even smaller than that of single‐droplet impact. These findings provide new insights into the contact time of multiple‐droplet impact and thereby offering useful guidance for some applications such as anti‐icing, self‐cleaning, and so forth.
Monitoring occurrence, extinction, and colonization probabilities for gibbon populations
Authors: Vu Thinh T. , Hoa Anh Nguyen Q. , Rawson Benjamin M. , Tran Dung V. , Nguyen Hoa T. , Van Thinh N.
Published: July 2020

All gibbon species (Family: Hylobatidae) are considered threatened with extinction and recognized on the International Union for Conservation of Nature Red List of Threatened Species. Because gibbons are one of the most threatened families of primates, monitoring their status is now critically important. Long‐term monitoring programs applying occupancy approaches, in addition to assessing occurrence probability, improves understanding of other population parameters such as site extinction or colonization probabilities, which elucidate temporal and spatial changes and are therefore important for guiding conservation efforts. In this study, we used multiple season occupancy models to monitor occurrence, extinction, and colonization probabilities for northern yellow‐cheeked crested gibbon Nomascus annamensis in three adjacent protected areas in the Central Annamites mountain range, Vietnam. We collected data at 30 listening posts in 2012, 2014, and 2016 using the auditory point count method. Occurrence probabilities were highest in 2012 (0.74, confidence interval [CI]: 0.56–0.87) but slightly lower in 2014 (0.66, CI: 0.51–0.79) and 2016 (0.67, CI: 0.49–0.81). Extinction probabilities during the 2012–2014 and 2014–2016 intervals were 0.26 (0.14–0.44) and 0.25 (0.12–0.44), respectively. Colonization probabilities during 2012–2014 were 0.44 (0.19–0.73) and between 2014 and 2016 was 0.51 (0.26–0.75). Although local site extinctions have occurred, high recolonization probability helped to replenish the unoccupied sites and kept the occurrence probability stable. Long‐term monitoring programs which use occurrence probability alone might not fully reveal the true dynamics of gibbon populations. We strongly recommend including multiple season occupancy models to monitor occurrence, extinction, and colonization probabilities in long‐term gibbon monitoring programs.
The role of preoperative blood eosinophil counts in distinguishing chronic rhinosinusitis with nasal polyps phenotypes
Authors: Zhong Bing , Yuan Tian , Du Jintao , Tan Kaisen , Yang Qintai , Liu Feng , Liu Yafeng , Ba Luo , Liu Shixi
Published: July 2020

Background

Chronic rhinosinusitis with nasal polyps (CRSwNP) is a common heterogenous disease in the patients with chronic airway diseases. This study investigated the role of blood eosinophil count (BEC) in the classification of CRSwNP and its recurrence in eosinophilic CRSwNP.

Methods

Sixty‐five patients who underwent nasal endoscopic resection of CRSwNP were recruited and divided into eosinophilic CRSwNP and non‐eosinophilic CRSwNP groups based on the levels (10% cutoff) of eosinophil infiltration as indicated by hematoxylin and eosin (H&E) staining.

Results

We recruited 30 patients in the eosinophilic CRSwNP group and 35 patients in the non‐eosinophilic CRSwNP group. The outcome of preoperative visual analogue scale (VAS) score, preoperative Lund‐Mackay score, and preoperative Lund‐Kennedy score between the 2 groups were comparable. The level of BEC in the eosinophilic CRSwNP group was significantly higher than that of non‐eosinophilic CRSwNP group (0.79 ± 0.27 × 109/L vs 0.30 ± 0.22 × 109/L; p < 0.001). We observed a statistical significance in the number of H&E eosinophils (29.11 ± 2.93 vs 3.17 ± 0.51; p < 0.001) and CRSwNP phenotypes (eosinophilic/non‐eosinophilic, 28/3 vs 2/32; p < 0.001) when the cutoff value of BEC was set at 0.39 × 109/L. The disease‐free recurrence (DFR) was found to be statistically significant when the cutoff value of BEC was 0.73 × 109/L in eosinophilic CRSwNP (p = 0.009).

Conclusion

Results indicate that BEC may be capable of distinguishing CRSwNP phenotypes as well as predicting polyp recurrence in eosinophilic CRSwNP. Given the relatively small sample size, further studies will be necessary to confirm a role for BEC as a systemic biomarker in CRSwNP.
C‐H‐Aktivierungsbasierte einstufige kupferkatalysierte Synthese von N,O‐bidentaten organischen Difluorborkomplexen
Authors: Tan Guangying , Schrader Malte L. , Daniliuc Constantin , Strieth‐Kalthoff Felix , Glorius Frank
Published: July 2020

Organische BF2‐Komplexe weisen erstrebenswerte Eigenschaften wie eine große Stokes‐Verschiebung, eine hohe Quantenausbeute, eine starke Emissionsintensität und eine hohe chemische Robustheit auf und werden daher in vielen verschiedenen Anwendungen eingesetzt. Hier stellen wir eine neuartige kupferkatalysierte Kaskaden‐C‐H‐Aktivierung/Acyloxylierung und Difluorborierung von 2‐Phenylpyridinderivaten vor, die einen einfachen und schnellen Zugang zu einer Reihe von N,O‐bidentaten organischen BF2‐Komplexen mit ausgezeichneten photophysikalischen Eigenschaften bietet. Untersuchungen des Mechanismus zeigen, dass AgBF4als BF2‐Quelle und Oxidationsmittel für diese Umwandlung dient. Die meisten der untersuchten Komplexe haben breite und intensive Absorptions‐ sowie Emissionsbanden. Sie zeigen weiterhin intensive blaue Fluoreszenz sowie große Stokes‐Verschiebungen.
Targeted Degradation of Transcription Coactivator SRC‐1 through the N‐Degron Pathway
Authors: Lee Yeongju , Heo Jiwon , Jeong Hoibin , Hong Kyung Tae , Kwon Do Hoon , Shin Min Hyeon , Oh Misook , Sable Ganesh A. , Ahn G‐One , Lee Jun‐Seok , Song Hyun Kyu , Lim Hyun‐Suk
Published: July 2020

Aberrantly elevated steroid receptor coactivator‐1 (SRC‐1) expression and activity are strongly correlated with cancer progression and metastasis. Here we report, for the first time, the development of a proteolysis targeting chimera (PROTAC) that is composed of a selective SRC‐1 binder linked to a specific ligand for UBR box, a unique class of E3 ligases recognizing N‐degrons. We showed that the bifunctional molecule efficiently and selectively induced the degradation of SRC‐1 in cells through the N‐degron pathway. Importantly, given the ubiquitous expression of the UBR protein in most cells, PROTACs targeting the UBR box could degrade a protein of interest regardless of cell types. We also showed that the SRC‐1 degrader significantly suppressed cancer cell invasion and migration in vitro and in vivo. Together, these results demonstrate that the SRC‐1 degrader can be an invaluable chemical tool in the studies of SRC‐1 functions. Moreover, our findings suggest PROTACs based on the N‐degron pathway as a widely useful strategy to degrade disease‐relevant proteins.
Proton‐Gated Ring‐Closure of a Negative Photochromic Azulene‐Based Diarylethene
Authors: Hou Ian Cheng‐Yi , Berger Fabian , Narita Akimitsu , Müllen Klaus , Hecht Stefan
Published: July 2020

Proton‐responsive photochromic molecules are attractive for their ability to react on non‐invasive rapid optical stimuli and the importance of protonation/deprotonation processes in various fields. Conventionally, their acidic/basic sites are on hetero‐atoms, which are orthogonal to the photo‐active π‐center. Here, we incorporate azulene, an acid‐sensitive pure hydrocarbon, into the skeleton of a diarylethene‐type photoswitch. The latter exhibits a novel proton‐gated negative photochromic ring‐closure and its optical response upon protonation in both open and closed forms is much more pronounced than those of diarylethene photoswitches with hetero‐atom based acidic/basic moieties. The unique behavior of the new photoswitch can be attributed to direct protonation on its π‐system, supported by 1H NMR and theoretical calculations. Our results demonstrate the great potential of integrating non‐alternant hydrocarbons into photochromic systems for the development of multi‐responsive molecular switches.
The intertidal plant communities in north‐eastern Australia, their carbon stores and vulnerability to extreme climate events
Authors: Addicott Eda , Laurance Susan G. W. , Bannink Peter , Thompson Simon
Published: July 2020

During the strong El Niño event of 2015–2016 large‐scale dieback of mangrove forests was observed in the Gulf of Carpentaria region of northern Australia. These and other intertidal communities are also extensive along the 7,400 km coastline of north‐eastern Australia. Determination of their floristic composition, potential carbon (C) store and sequestration capacity, and vulnerability to climate extremes is required for their effective conservation management and was the aim of this study.

Standardized, state‐wide quantitative classification methods identified five mangrove forest and three saltmarsh communities covering 2,604 km2 along this coastline.

Estuarine and oceanic mangrove forests were mapped separately. Carbon storage and sequestration capacity of the intertidal communities and their vulnerability to strong El Niño events were estimated using published data and GIS analyses.

An estimated potential 126.2 (± 27.3 SEM) Tg C and 8.3 (±0.4 SD) Tg C were stored in the mangrove forests and saltmarshes, respectively. Comparatively, the rainforests of the region stored an estimated equivalent amount of C but covered three times the area, and the most widespread woodlands (Eucalyptus tetrodonta) of the region stored an estimated 1.5 times the C but covered 16 times the area. The C stored in the intertidal communities was estimated as equivalent to 493.47 Tg of CO2, valued at AU$6.8 billion on the Australian carbon market in December 2018. Annual C sequestration potential was 0.18–0.34 Tg C/year, valued between AU$8.9 and $17 million.

Approximately 360 ha of mangrove forest was estimated as lost because of dieback during the 2015–16 El Niño event. Three types of mangrove forest were identified as potentially vulnerable to dieback from El Niño‐driven climate events.

This study highlights the national and global significance of these intertidal systems and our findings need to be incorporated in future conservation and development planning of northern Australia.
Synthesis, Structure, Magnetic and Photoluminescent Properties of Dysprosium(III) Schiff Base Single‐Molecule Magnets: Investigation of the Relaxation of the Magnetization
Authors: Long Jérôme , Basalov Ivan V. , Lyssenko Konstantin A. , Cherkasov Anton V. , Mamontova Ekaterina , Guari Yannick , Larionova Joulia , Trifonov Alexander A.
Published: July 2020

We report here the synthesis, structure, magnetic and photoluminescent properties of three new bifunctional Schiff‐base complexes [Dy(L1)2(py)2][B(Ph)4]⋅py (1), [Dy(L1)2Cl(DME)] ⋅ 0.5DME (2) and [Dy(L2)2Cl] ⋅ 2.5(C7H8) (3) (HL1=Phenol, 2,4‐bis(1,1‐dimethylethyl)‐6‐[[(2‐methoxy‐5‐methylphenyl)imino]methyl]; HL2=Phenol, 2,4‐bis(1,1‐dimethylethyl)‐6‐[[(2‐methoxyphenyl)imino]methyl]). The coordination environment of the Dy3+ ion and the direction of the anisotropic axis may be controlled by the combination of the substituent groups of the Schiff bases, the nature of the counter‐ions (Cl− vs. BPh4−) and the coordinative solvent molecules. A zero‐field slow relaxation of the magnetization is evidenced for all complexes but strong differences in the relaxation dynamics are observed depending on the Dy3+ site geometry. In this sense, complex 1 exhibits an anisotropy barrier of 472 cm−1, which may be favourably compared to other related examples due to the shortening of the Dy−O bond in the axial direction. Besides, the three complexes exhibit a ligand‐based luminescence making them as bifunctional magneto‐luminescent systems.
Enhanced chondrogenesis in a coculture system with genetically manipulated dedifferentiated chondrocytes and ATDC5 cells
Authors: Yao Yongchang , Zhang Tingshuai , Chen Hanzheng , Zheng Shicong , Chen Yi , Zhang Shujiang
Published: July 2020

Articular cartilage repair after injury is a great challenge worldwide due to its nerveless and avascular features. Tissue engineering is proposed as a promising alternative for cartilage regeneration. In this study, an adenoviral vector carrying the transforming growth factor‐β3 (TGF‐β3) gene was constructed and introduced into dedifferentiated chondrocytes, which were then cocultured with ATDC5 cells in an alginate hydrogel system. The results showed that the experimental groups exhibited better cell viability and higher levels of cartilage‐related genes than the control groups. In this coculture system, the chondrogenic differentiation of ATDC5 cells was effectively induced by TGF‐β3 and other latent cytokines that were produced by the transfected chondrocytes. Thus, this method can avoid the degradation of exogenous TGF‐β3, and it can protect ATDC5 cells during virus transfection to maintain cell viability and chondrogenic differentiation capability. Taken together, this study provides fresh insights for applying this genetically manipulated coculture system to cartilage repair in the future.
Investigation of the therapeutic effect of Shaoyao Gancao decoction on CCL4‐induced liver injury in rats by metabolomic analysis
Authors: Sun Lin , Zhao Min , Zhao Yanhui , Wang Miao , Man Jingyi , Zhao Chunjie
Published: July 2020

Shaoyao Gancao decoction (SGD) is a famous Chinese traditional prescription for treating liver injury. In this research, we investigated the therapeutic effects of SGD on liver injury and its metabolic mechanisms using 1H NMR and UPLC–MS. Serum biochemical indicators and histopathological methods were used to determine the mechanism of action of SGD in treating liver injury. An orthogonal partial least squares discriminant analysis method was used to screen potential metabolic markers, and the MetaboAnalyst and KEGG PATHWAY databases were used to find relevant metabolic pathways. A total of 26 significant metabolites were identified with significant changes in their abundance levels, and these metabolites are involved in many metabolic pathways such as amino acid and lipid metabolism. The changes in biomarker levels reveal the therapeutic effect of SGD on liver injury, which is of great significance to speculate on possible metabolic mechanisms.
First Extensive Polyphenolic Profile of Erodium cicutarium with Novel Insights to Elemental Composition and Antioxidant Activity
Authors: Bilić Vanja Ljoljić , Gašić Uroš , Milojković‐Opsenica Dušanka , Nemet Ivan , Rončević Sanda , Kosalec Ivan , Rodriguez Jadranka Vuković
Published: July 2020

Erodium cicutarium is known for its total polyphenolic content, but this work reveals the first highly detailed profile of E. cicutarium, obtained with UHPLC‐LTQ OrbiTrap MS4 and UHPLC‐QqQ‐MS/MS techniques. A total of 85 phenolic compounds were identified and 17 constituents were quantified. Overall, 25 new compounds were found, which have not yet been reported for the Erodium genera, or the family Geraniaceae. Along with methanolic extracts, the so far poorly investigated water extracts exhibited in vitro antioxidant activity according to all performed assays, including the ferric reducing/antioxidant power assay (FRAP), 2,2‐diphenyl‐1‐picrylhydrazyl assay (DPPH), 2,2′‐azinobis(3‐ethylbenzthiazoline‐6‐sulfonic acid) assay (ABTS) and cupric ion reducing antioxidant capacity assay (CUPRAC). Elemental composition analysis performed with inductively coupled plasma atomic emission spectrometry (ICP‐AES) and, additionally, hydride generation atomic absorption spectrometry (HydrEA‐ETAAS) showed six most abundant elements to be decreasing as follows: Mg>Ca>K>S>P>Na, and gave first data regarding inorganic arsenic content (109.3–248.4 ng g−1). These results suggest E. cicutarium to be a valuable source of various phenolic compounds with substantial potential for further bioactivity testing.
Bioherbicide Potential of Eucalyptus saligna Leaf Litter Essential Oil
Authors: Silva Eliane R. , Igartuburu José M. , Overbeck Gerhard E. , Soares Geraldo L. G. , Macías Francisco A.
Published: July 2020

We aimed to evaluate the bioherbicide potential of Eucalyptus saligna leaf litter essential oil, its fractions and major compounds. Six essential oil fractions were obtained by preparative thin‐layer chromatography and analyzed by gas chromatography/mass spectrometry. Effects of the oil, its fractions and major compounds (1,8‐cineole and/or α‐pinene) diluted in aqueous solution were assessed on germination and seedling growth. Recipient species were Lactuca sativa (model), Amaranthus viridis (weed), Eragrostis plana (weed), and Paspalum notatum (forage). The essential oil was more phytotoxic on A. viridis and L. sativa, followed by E. plana, and caused no effects on P. notatum. Amaranthus viridis was inhibited by all treatments, mainly the essential oil, α‐pinene and fraction 6, whereas E. plana was more affected by the oil fractions. Results revealed the species‐specific phytotoxic effects of E. saligna essential oil, indicating its potential use for controlling A. viridis and E. plana. Phytotoxic effects of essential oils or their components should not be generalized, as effects may change according to recipient species.
Catalytic Promiscuity of cGAS: A Facile Enzymatic Synthesis of 2′‐3′‐Linked Cyclic Dinucleotides
Authors: Rosenthal Katrin , Becker Martin , Rolf Jascha , Siedentop Regine , Hillen Michael , Nett Markus , Lütz Stephan
Published: July 2020

Cyclic GMP‐AMP synthase (cGAS) is a cytosolic DNA sensor that catalyzes the synthesis of the cyclic GMP‐AMP dinucleotide 2′3′‐cGAMP. 2′3′‐cGAMP functions as inducer for the production of type I interferons. Derivatives of this important second messenger are highly valuable for pharmaceutical applications. However, the production of these analogues requires complex, multistep syntheses. Herein, human cGAS is shown to react with a series of unnatural nucleotides, thus leading to novel cyclic dinucleotides. Most substrate derivatives with modifications at the nucleobase, ribose, and the α‐thio phosphate were accepted. These results demonstrate the catalytic promiscuity of human cGAS and its utility for the biocatalytic synthesis of cyclic dinucleotide derivatives.
Venetoclax in association with decitabine as effective bridge to transplant in a case of relapsed early T‐cell lymphoblastic leukemia
Authors: Zappone Elisabetta , Cencini Emanuele , Defina Marzia , Sicuranza Anna , Gozzetti Alessandro , Ciofini Sara , Raspadori Donatella , Mecacci Bianca , Bocchia Monica
Published: July 2020

A case of an early‐relapsed high‐risk T‐ALL with high BCL‐2 expression on leukemic blasts was successfully treated with decitabine and venetoclax, achieving a CR. We suggest decitabine and venetoclax should be synergistic in BCL2‐positive ALL.
Trace Iridium Engineering on Nickel Hydroxide Nanosheets as High‐active Catalyst for Overall Water Splitting
Authors: Tong Yun , Mao Hainiao , Sun Qiong , Chen Pengzuo , Yan Fei , Liu Jiyang
Published: July 2020

Designing cost‐effective electrocatalysts for electrochemical water splitting to generate the hydrogen energy as a future energy source is pivotal. An excellent catalyst should show high catalytic activity for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) under different pH conditions. Here, we highlighted a high‐efficient catalyst of Ir‐doped Ni(OH)2 nanosheets grown on Ni foam (Ir−Ni(OH)2/NF) as a high‐efficient catalyst for overall water splitting in both alkaline and neutral conditions via a simple one‐step hydrothermal strategy. The optimized Ir3−Ni(OH)2/NF shows superior HER and OER activity in neutral and alkaline electrolytes. The doped Ir ions can not only serve as catalytic sites for water dissociation, but also decrease the charge density of the adjacent bridge oxygen to facilitate HER kinetics. As a result, Ir3−Ni(OH)2/NF electrolyzer exhibits superior performance of a small potential of 1.64 V under neutral condition, which is obviously lower than that of a string of recently reported neutral‐pH electrocatalysts.
Flexible Zn‐ion batteries based on manganese oxides: Progress and prospect
Authors: Gao Xingyuan , Zhang Haozhe , Liu Xiaoqing , Lu Xihong
Published: July 2020

The ever‐growing market of wearable electronic devices has greatly stimulated the rapid development of flexible Zn‐ion batteries (ZIBs). Manganese oxides are one of the most commonly used hosts for zinc ion accommodation and thus receive particular research interest for high‐performance flexible ZIB constructions. In this review, a comprehensive summary of the recent development of flexible ZIBs with manganese oxides as cathode materials is presented. Apart from the brief introduction of flexible electronic devices and ZIBs, the charge storage mechanisms and crystal structures of various manganese oxides are summarized. Modifications of the cathode materials in terms of morphology, conductivity, structures, and flexibilities are illustrated in detail, together with the demonstration of structure‐performance relationships and applications in flexible ZIBs. Finally, limitations to be overcome are indicated and the future work directions are proposed.
Trivalent Rare‐Earth Metal Amide Complexes as Catalysts for the Hydrosilylation of Benzophenone Derivatives with HN(SiHMe2)2 by Amine‐Exchange Reaction
Authors: Shinohara Koichi , Tsurugi Hayato , Anwander Reiner , Mashima Kazushi
Published: July 2020

The rare‐earth metal complexes Ln(L1)[N(SiHMe2)2](thf) (Ln=La, Ce, Y; L1=N,N′′‐bis(pentafluorophenyl)diethylenetriamine dianion) were synthesized by treating Ln[N(SiHMe2)2]3(thf)2 with L1H2. The lanthanum and cerium derivatives are active catalysts for the hydrosilylation of benzophenone derivatives with HN(SiHMe2)2. An amine‐exchange reaction was revealed as a key step of the catalytic cycle, in which Ln−Si−H β‐agostic interactions are proposed to promote insertion of the carbonyl moiety into the Si−H bond.
Supramolecular Sensor for Astringent Procyanidin C1: Fluorescent Artificial Tongue for Wine Components
Authors: Sasaki Yui , Ito Satoshi , Zhang Zhoujie , Lyu Xiaojun , Takizawa Shin‐ya , Kubota Riku , Minami Tsuyoshi
Published: July 2020

An artificial tongue that detects astringent components for a comprehensive evaluation of taste has not been established to date. Herein, we first propose fluorescent polythiophene (PT) derivatives (S1–S3) modified with 3‐pyridinium boronic acid as supramolecular chemosensors for wine components including astringent procyanidin C1. After numerous attempts for the synthetic conditions, more than 95 mol % of the PT unit was modified with the pyridinium boronic acid moiety. To evaluate the PT derivatives as chemosensors of the artificial tongue, qualitative and quantitative analyses were performed with four types of wine components (i.e., sweet, sour, bitter, and astringent tastes) in combination with pattern recognition models. Notably, procyanidin C1 in the actual wine sample was successfully detected in a quantitative manner. In other words, we have established an authentic artificial tongue using PT based supramolecular chemosensors.
Phosphorescent Cationic Heterodinuclear IrIII/MI Complexes (M=CuI, AuI) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge
Authors: Bonfiglio Anna , Pallova Lenka , César Vincent , Gourlaouen Christophe , Bellemin‐Laponnaz Stéphane , Daniel Chantal , Polo Federico , Mauro Matteo
Published: July 2020

A novel class of phosphorescent cationic heterobimetallic IrIII/MI complexes, where MI=CuI (4) and AuI (5), is reported. The two metal centers are connected by the hybrid bridging 1,3‐dimesityl‐5‐acetylimidazol‐2‐ylidene‐4‐olate (IMesAcac) ligand that combines both a chelating acetylacetonato‐like and a monodentate N‐heterocyclic carbene site coordinated onto an IrIII and a MI center, respectively. Complexes 4 and 5 have been prepared straightforwardly by a stepwise site‐selective metalation with the zwitterionic [(IPr)MI(IMesAcac)] metalloproligand (IPr=1,3‐(2,6‐diisopropylphenyl)‐2H‐imidazol‐2‐ylidene) and they have been fully characterized by spectroscopic, electrochemical, and computational investigation. Complexes 4 and 5 display intense red emission arising from a low‐energy excited state that is located onto the “Ir(C^N)” moiety featuring an admixed triplet ligand‐centered/metal‐to‐ligand charge transfer (3IL/1MLCT) character. Comparison with the benchmark mononuclear complexes reveals negligible electronic coupling between the two distal metal centers at the electronic ground state. The bimetallic systems display enhanced photophysical properties in comparison with the parental congeners. Noteworthy, similar non‐radiative rate constants have been determined along with a two‐fold increase of radiative rate, yielding brightly red‐emitting cyclometalating IrIII complexes. This finding is ascribed to the increased MLCT character of the emitting state in complexes 4 and 5 due to the smaller energy gap between the 3IL and 1MLCT manifolds, which mix via spin–orbit coupling.
Women on corporate boards and sustainable development in the American and European markets: Is there a limit to gender policies?
Authors: Valls Martínez María del Carmen , Martín Cervantes Pedro Antonio , Cruz Rambaud Salvador
Published: July 2020

Many European countries enacted laws to promote effective gender equality in management positions. Moreover, investors increasingly consider the sustainable valuation of companies in their portfolio selection. Previous research demonstrates the positive relationship between female directors and corporate social performance. The aim of this study is twofold: we examine the extent to which this relationship remains positive according to the level of gender diversity and compare the behaviour in American and European markets, considering that the US has no gender quota. We apply a panel data methodology, with fixed effects, to examine companies listed in the S&P 500 and Euro Stoxx 300 indices during 2015–2019. The results show the increasing influence of women directors up to a limit, both in the American and European markets, and this influence is higher in Europe. This result implies that gender‐diverse boards are favourable to the sustainable behaviour of companies. Therefore, policymakers should promote gender policies.
Comparison of malignancy‐prediction efficiency between contrast and non‐contract CT‐based radiomics features in gastrointestinal stromal tumors: A multicenter study
Authors: Zhang Qing‐Wei , Zhou Xiao‐Xuan , Zhang Ran‐Ying , Chen Shuang‐Li , Liu Qiang , Wang Jian , Zhang Yan , Lin Jiang , Xu Jian‐Rong , Gao Yun‐Jie , Ge Zhi‐Zheng
Published: July 2020

This work seeks the development and validation of radiomics signatures from nonenhanced computed tomography (CT, NE‐RS) to preoperatively predict the malignancy degree of gastrointestinal stromal tumors (GISTs) and the comparison of these signatures with those from contrast‐enhanced CT. A dataset for 370 GIST patients was collected from four centers. This dataset was divided into cohorts for training, as well as internal and external validation. The minimum‐redundancy maximum‐relevance algorithm and the least absolute shrinkage and selection operator (LASSO) algorithm were used to filter unstable features. (a) NE‐RS and radiomics signature from contrast‐enhanced CT (CE‐RS) were built and compared for the prediction of malignancy potential of GIST based on the area under the receiver operating characteristic curve (AUC). (b) The radiomics model was also developed with both the tumor size and NE‐RS. The AUC values were comparable between NE‐RS and CE‐RS in the training (.965 vs .936; P = .251), internal validation (.967 vs .960; P = .801), and external validation (.941 vs .899; P = .173) cohorts in diagnosis of high malignancy potential of GISTs. We next focused on the NE‐RS. With 0.185 selected as the cutoff of NE‐RS for diagnosis of the malignancy potential of GISTs, accuracy, sensitivity, and specificity for diagnosis high‐malignancy potential GIST was 90.0%, 88.2%, and 92.3%, respectively, in the training cohort. For the internal validation set, the corresponding metrics are 89.1%, 94.9%, and 80.0%, respectively. The corresponding metrics for the external cohort are 84.6%, 76.1%, and 91.0%, respectively. Compared with only NE‐RS, the radiomics model increased the sensitivity in the diagnosis of GIST with high‐malignancy potential by 5.9% (P = .025), 2.5% (P = .317), 10.5% (P = .008) for the training set, internal validation set, and external validation set, respectively. The NE‐RS had comparable prediction efficiency in the diagnosis of high‐risk GISTs to CE‐RS. The NE‐RS and radiomics model both had excellent accuracy in predicting malignancy potential of GISTs.
Exploiting IP‐layer traffic prediction analytics to allocate spectrum resources using swarm intelligence
Authors: Kyriakopoulos Constantine , Nicopolitidis Petros , Papadimitriou Georgios , Varvarigos Emmanouel
Published: July 2020

Elastic optical networks emerge as a reliable backbone platform covering the next‐generation connectivity requirements. It consists of advanced enabling components that provide the ability for extensive configuration leading to performance improvement in many areas of interest. Higher layer analytics like data from IP traffic prediction can assist in the process of allocating resources at the optical layer. This way, light connections are established more efficiently while targeting specific performance goals. For that purpose, an algorithm is designed and evaluated that exploits traffic prediction of data transfers between nodes of an optical metro or backbone network. Next, it utilizes adaptive functionality based on particle swarm optimization to find paths with available spectrum resources. These resources can facilitate more efficiently the future traffic demand, since traffic prediction data are considered when finding the related paths. The innovative resource allocation method is evaluated using small and very large real topologies. It scales (in execution time and resource usage) according to node increase, executes in feasible time frames, and reduces transponder utilization resulting to increased energy efficiency.
Meta‐replication, sampling bias, and multi‐scale model selection: A case study on snow leopard (Panthera uncia) in western China
Authors: Atzeni Luciano , Cushman Samuel A. , Bai Defeng , Wang Jun , Chen Pengju , Shi Kun , Riordan Philip
Published: July 2020

Replicated multiple scale species distribution models (SDMs) have become increasingly important to identify the correct variables determining species distribution and their influences on ecological responses. This study explores multi‐scale habitat relationships of the snow leopard (Panthera uncia) in two study areas on the Qinghai–Tibetan Plateau of western China. Our primary objectives were to evaluate the degree to which snow leopard habitat relationships, expressed by predictors, scales of response, and magnitude of effects, were consistent across study areas or locally landcape‐specific. We coupled univariate scale optimization and the maximum entropy algorithm to produce multivariate SDMs, inferring the relative suitability for the species by ensembling top performing models. We optimized the SDMs based on average omission rate across the top models and ensembles’ overlap with a simulated reference model. Comparison of SDMs in the two study areas highlighted landscape‐specific responses to limiting factors. These were dependent on the effects of the hydrological network, anthropogenic features, topographic complexity, and the heterogeneity of the landcover patch mosaic. Overall, even accounting for specific local differences, we found general landscape attributes associated with snow leopard ecological requirements, consisting of a positive association with uplands and ridges, aggregated low‐contrast landscapes, and large extents of grassy and herbaceous vegetation. As a means to evaluate the performance of two bias correction methods, we explored their effects on three datasets showing a range of bias intensities. The performance of corrections depends on the bias intensity; however, density kernels offered a reliable correction strategy under all circumstances. This study reveals the multi‐scale response of snow leopards to environmental attributes and confirms the role of meta‐replicated study designs for the identification of spatially varying limiting factors. Furthermore, this study makes important contributions to the ongoing discussion about the best approaches for sampling bias correction.
Quantifying Source Apportionment, Co-occurrence, and Ecotoxicological Risk of Metals from Upstream, Lower Midstream, and Downstream River Segments, Bangladesh
Authors: Towfiqul Islam Abu Reza Md. , Hasanuzzaman Md. , Touhidul Islam H.M. , Mia Md. Uzzal , Khan Rahat , Habib Md. Ahosan , Rahman Md. Mostafizur , Siddique Md. Abu Bakar , Moniruzzaman Md. , Rashid Md. Bazlar
Published: July 2020

The positive matrix factorization (PMF) receptor model was used for the first time to quantify the source contributions to heavy metal pollution of sediment on a national basin scale in the upstream, midstream, and downstream rivers (Teesta and Kortoya-Shitalakkah and Meghna-Rupsha and Pasur) of Bangladesh. The metal contamination status, co-occurrence, and ecotoxicological risk were also investigated. Sediment samples were collected from 30 sites at a depth range of 0 to 20 cm for analysis of 9 metals using inductively coupled plasma–mass spectrometry. The mean concentrations of metals varied for upstream, lower midstream, and downstream river segments. The results showed that chromium (Cr) exhibited a strong significant co-occurrence network with other metals (e.g., manganese [Mn], iron [Fe], and nickel [Ni]). Monte Carlo simulation results of the geo-accumulation index (Igeo; 63.3%) and risk indices (48.5%) showed that cadmium (Cd) was the main contributor to sediment pollution. However, the cumulative probabilities of sediments being polluted by metals were ranked as “moderate to heavily polluted” (Igeo 46.6%; risk index 16.7%). Toxicity unit results revealed that zinc (Zn) and Cd were the key toxic contributors to sediments. The PMF model predicted metal concentrations and identified 4 potential sources. The agricultural source (factor 1) mostly contributed to copper (Cu; 78.9%) and arsenic (As; 62.8%); Ni (96.9%) and Mn (83.5%) exhibited industrial point sources (factor 2), with 2 hot spots in northwestern and southwestern regions. Cadmium (93.5%) had anthropogenic point sources (factor 3), and Fe (64.3%) and Cr (53.5%) had a mixed source (factor 4). Spatially, similar patterns between PMF apportioning factors and predicted metal sources were identified, showing the efficiency of the model for river systems analysis. The degree of metal contamination in the river segments suggests an alarming condition for biotic components of the ecosystem. Environ Toxicol Chem 2020;39:2041–2054. © 2020 SETAC

Abstract

Schematic diagram of possible source apportionment of metals in sediments from the upstream, lower midstream, and downstream river systems in Bangladesh.
Value‐at‐risk forecasting via dynamic asymmetric exponential power distributions
Authors: Ou Lu , Zhao Zhibiao
Published: July 2020

In the value‐at‐risk (VaR) literature, many existing works assume that the noise distribution is the same over time. To take into account the potential time‐varying dynamics of stock returns, we propose a dynamic asymmetric exponential distribution‐based framework. The new method includes a time‐varying shape parameter to control the dynamic shape of the distribution, a time‐varying probability parameter to control the dynamic proportion of positive returns, and a time‐varying scale parameter to control the dynamic volatility. We combine the generalized method of moments and the exponentially weighted moving average (EWMA) approach to derive specifications for these time‐varying parameters. Empirical applications demonstrate the superior performance of the proposed method when compared with various GARCH and EWMA approaches without time variation in the innovations.
A quantitative survey of consumer perceptions of smart food packaging in China
Authors: Li Ting , Lloyd Kayna , Birch John , Wu Xiaomeng , Mirosa Miranda , Liao Xiaojun
Published: July 2020

This study quantified the acceptability of smart food packaging technologies and determined their associations with sociodemographic, attitudinal, and behavioral characteristics of consumers in China. Two quantitative surveys were conducted using an intercept method in Beijing with one for intelligent food packaging and the other for active food packaging. Chi‐square tests of independence and contingency tables were used to determine the acceptability of smart food packaging and significant associations with multiple variables. Smart packaging was accepted by 56% of participants in both surveys. Marital status and employment status were associated with the acceptance of active packaging, while consumer interactions with current food packaging were associated with the acceptance of intelligent packaging. Acceptance of both active and intelligent packaging was associated with trust in multiple institutions. This study is the first to provide broad information about Chinese consumers' acceptance of smart packaging technologies for food products. Findings from this research can contribute to further detailed consumer studies in product‐specific packaging designs.
“There's more than meets the eye”: Developing an integrated archaeological approach to reconstruct human–environment dynamics in the Pontine marshes (Lazio, Central Italy)
Authors: Tol Gijs , de Haas Tymon , Sevink Jan , Schepers Mans , Ullrich Burkart , de Neef Wieke
Published: July 2020

In this article, we present the results of a pilot study that adopts an interdisciplinary off‐site approach combining detailed surface survey, remote sensing analyses, geophysical prospections, geoarchaeological investigations and palaeoenvironmental analyses to investigate long‐term human‐environment interactions in the Pontine plain (Lazio, Central Italy). Focusing on a small study area just north of the ancient Roman way station ofAd Medias, in the middle of this former wetland, the developed integrated approach turned out to be very much successful, providing additional information on (a) the interpretation of the surface record in light of landscape and environmental dynamics, (b) the exposure of “hidden landscapes” that date from before the Roman phase of exploitation that is well‐attested in the surface archaeological record, and (c) the texture of this Roman landscape, allowing for a more accurate interpretation of both mapped surface materials and the wider context in which these surface sites were set.
Insights into Mercury Source Identification and Bioaccumulation Using Stable Isotope Approaches in the Hannibal Pool of the Ohio River, USA
Authors: Janssen Sarah E , Patnode Kathleen A , Pluta Bruce R , Krabbenhoft David P
Published: July 2020

Mercury contamination in river systems due to historic and current Hg releases is a persistent concern for both wildlife and human health. In larger rivers, like the Ohio River, USA, it is difficult to directly link Hg discharges to bioaccumulation due to the existence of multiple industrial Hg sources as well as the varied dietary and migratory habits of biota. To better understand how industrial effluent influences the cycling and bioaccumulation of Hg within the Ohio River, Hg stable isotope analysis was applied to various nonbiological and biological media. High Hg concentrations in suspended particulate matter suggest this vector was the largest contributor of Hg to the water column, and distinct Hg source signatures were observed in effluent particulates from different industrial processes, such as chlor-alkali activity (δ202Hg = −0.52‰) and coal power plant discharge (δ202Hg = −1.39‰). Despite this distinction, average sediments (δ202Hg = −1.00 ± 0.23‰) showed intermediate isotopic signatures that suggest the accumulation of a mixed Hg source driven by multiple industrial discharges. Biota in the system were shown to have a conserved range of δ202Hg and estimation approaches related these signatures back to particulate matter within Hannibal Pool. Mussels were found to conserve Hg isotopes signatures independently of food web drivers and served as ideal water column indicators of bioaccumulated Hg sources. This study highlights the complexity of Hg cycling within an industrialized river and shows that an isotope tracer approach can provide insight to water column sources of Hg. Integr Environ Assess Manag 2021;17:233−242. Published 2020. This article is a US Government work and is in the public domain in the USA.

KEY POINTS

Mercury in the Ohio River, USA, was predominantly bound to particulates in the water column, which were isotopically distinct between chlor-alkali and coal processing facilities. Sediments displayed an intermediate Hg isotope signature, indicating the preservation of multiple industrial sources within the Ohio River. Isotope compositions in mussels were closely connected to water column transformations of Hg and were not strongly influenced by food web factors, making these species good indicators of Hg sources. Isotopic compositions of biological tissues were similar to those of suspended particulate matter, suggesting the bioaccumulation of industrial sources in the water column.
Association of Heel Bone Mineral Density With Incident Disability and Mortality in Community‐Dwelling Older Adults
Authors: Ross Ryan D , Shah Raj C , Leurgans Sue E , Buchman Aron S , Bennett David A
Published: July 2020

Age‐related bone loss is common in older adults. However, the association of low bone mass with incident disability and mortality is not well established. A sample of 738 participants in the Rush Memory and Aging Project (MAP) was evaluated at baseline for bone mineral density (BMD) using quantitative ultrasound at the calcaneus. An annual interview assessed basic activities of daily living (BADL), instrumental activities of daily living (IADL), mobility disability, and history of hip fracture. The associations between baseline BMD and risk of death; incident BADL, IADL, and mobility disability; and hip fracture were investigated using Cox hazard models, adjusting for age, sex, education, race, and body mass index (BMI). The robustness of our findings was evaluated by adjusting for confounding factors and health conditions including joint pain, musculoskeletal medications, smoking status, motor function, global cognition, falls, cardiovascular events, and diabetes. Participants were on average (mean ± SD) 80.9 ± 7.0 years old, 72% female, and 3.8% black, with a baseline BMI of 27.3 ± 5.4 kg/m2, and a baseline of BMD of 0.44 ± 0.14 g/cm2. In models adjusted for age, sex, education, race, and BMI, lower BMD was associated with a higher rate of death (hazard ratio [HR] 1.20; 95% confidence interval [CI], 1.08–1.33), incident BADL disability (HR 1.20; 95% CI, 1.05–1.37), and hip fracture (HR 2.57; 95% CI, 1.72–3.82), but not of IADL disability (HR 1.00; 95% CI, 0.85–1.17) or mobility disability (HR 1.13; 95% CI, 0.97–1.32). The association between BMD and mortality was not significant in fully adjusted models, but the BMD and BADL associations remained significant in models adjusting for both demographic variables and BMD‐modifying health conditions. BMD is associated with incident disability in older adults. © 2020 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
has_circ_CCNB1 and has_circ_0009024 function as potential biomarkers for the diagnosis of type 2 diabetes mellitus
Authors: Chen Xiangfei , Yin Jingjing , Zhang Fang , Xiao Tiantian , Zhao Ming
Published: July 2020

Circular RNAs (circRNAs) have been reported to be associated with various diseases, including type 2 diabetes mellitus (T2DM). The aim of present study was to investigate the clinical value of has_circ_CCNB1 and has_circ_0009024 in T2DM. Serum samples from patients with T2DM (n = 166) and healthy volunteers (n = 166) were recruited. Then, real‐time quantitative reverse transcription‐polymerase chain reaction (RT‐qPCR) analysis and enzyme‐linked immunosorbent (ELISA) assays were conducted to detect the expression levels of circRNAs and inflammatory factors. Furthermore, the correlation analysis and receiver operating characteristic (ROC) curve were used to evaluate diagnostic accuracy. From the results, circ_CCNB1 was significantly increased while circ_0009024 was decreased in serum samples from T2DM patients. Moreover, has_circ_CCNB1 was positively correlated with glucose (GLU), glycosylated hemoglobin (GHb), interleukin 6 (IL‐6), and tumor necrosis factor‐α (TNF‐α) while has_circ_0009024 was negatively correlated with them. Importantly, the AUC of has_circ_CCNB1 and has_and circ_0009024 was 0.9255 (95% CI = 0.8909‐0.9601) and 0.9592 (95% CI = 0.9381‐0.9803), while the AUC of combinative curve is 0.8875 (95% CI = 0.8204‐0.8547). In a word, has_circ_CCNB1 and has_circ_0009024 may exhibit as potential biomarkers for the diagnosis of T2DM.
Comparison of different virtual chromoendoscopy classification systems for the characterization of colorectal lesions
Authors: Zorron Cheng Tao Pu Leonardo , Yamamura Takeshi , Nakamura Masanao , Koay Doreen S C , Ovenden Amanda , Edwards Suzanne , Burt Alastair D , Hirooka Yoshiki , Fujishiro Mitsuhiro , Singh Rajvinder
Published: July 2020

Background and Aim

Commonly used classifications for colorectal lesions (CLs) include the Narrow Band Imaging (NBI) International Colorectal Endoscopic (NICE) and Japan NBI Expert Team (JNET) classifications. However, both lack a sessile serrated adenoma/polyp (SSA/P) category. This has been addressed by the modified Sano's (MS) and Workgroup serrAted polypS and Polyposis (WASP) classifications. This study aims to compare the accuracy of wNICE and wJNET (WASP added to both) with the stand‐alone MS classification.

Methods

Patients undergoing colonoscopy at an Australian tertiary hospital who had at least one CL detected were prospectively enrolled. In the exploratory phase, CLs were characterized in real time with NBI and magnification using all classifications. In the validation phase, CLs were assessed with both NBI and Blue Laser Imaging (BLI) by four external endoscopists in Japan. The primary outcome was the comparison of wJNET and MS. Secondary outcomes included comparisons among all classifications and the calculation of interrater reliability.

Results

A total of 483 CLs were evaluated in real time in the exploratory phase, and four sets of 30 CL images (80 on NBI and 40 on BLI) were scored in the validation phase. For high‐confidence diagnoses, MS accuracy was superior to wJNET in both the exploratory (86% vs 79%, P < 0.05) and validation (85% vs 69%, P < 0.05) phases. The interrater reliability was substantial for all classifications (κ = 0.74, 0.69, and 0.63 for wNICE, wJNET, and MS, respectively).

Conclusions

MS classification achieved the highest accuracy in both the exploratory and validation phases. MS can differentiate serrated and adenomatous polyps as a stand‐alone classification.