bluuebunny/crossref_metadata_2025 huggingface dataset:
Automated resolution independent method for comparing in vivo and dry trabecular bone
Authors: Saers Jaap P. P. , DeMars Lily J. , Stephens Nicholas B. , Jashashvili Tea , Carlson Kristian J. , Gordon Adam D. , Ryan Timothy M. , Stock Jay T.
Published: November 2020

Objectives

Variation in human trabecular bone morphology can be linked to habitual behavior, but it is difficult to investigate in vivo due to the radiation required at high resolution. Consequently, functional interpretations of trabecular morphology remain inferential. Here we introduce a method to link low‐ and high‐resolution CT data from dry and fresh bone, enabling bone functional adaptation to be studied in vivo and results compared to the fossil and archaeological record.

Materials and methods

We examine 51 human dry bone distal tibiae from Nile Valley and UK and two pig tibiae containing soft tissues. We compare low‐resolution peripheral quantitative computed tomography (pQCT) parameters and high‐resolution micro CT (μCT) in homologous single slices at 4% bone length and compare results to our novel Bone Ratio Predictor (BRP) method.

Results

Regression slopes between linear attenuation coefficients of low‐resolution pQCT images and bone area/total area (BA/TA) of high‐resolution μCT scans differ substantially between geographical subsamples, presumably due to diagenesis. BRP accurately predicts BA/TA (R2= .97) and eliminates the geographic clustering. BRP accurately estimates BA/TA in pigs containing soft tissues (R2= 0.98) without requiring knowledge of true density or phantom calibration of the scans.

Discussion

BRP allows automated comparison of image data from different image modalities (pQCT, μCT) using different energy settings, in archeological bone and wet specimens. The method enables low‐resolution data generated in vivo to be compared with the fossil and archaeological record. Such experimental approaches would substantially improve behavioral inferences based on trabecular bone microstructure.
New mitogenomic lineages in Papio baboons and their phylogeographic implications
Authors: Roos Christian , Knauf Sascha , Chuma Idrissa S. , Maille Audrey , Callou Cécile , Sabin Richard , Portela Miguez Roberto , Zinner Dietmar
Published: November 2020

Objectives

Incomplete and/or biased sampling either on a taxonomic or geographic level can lead to delusive phylogenetic and phylogeographic inferences. However, a complete taxonomic and geographical sampling is often and for various reasons impossible, particularly for widespread taxa such as baboons (Papio spp.). Previous studies on baboon phylogeography identified several sampling gaps, some of which we fill by investigating additional material including samples from museum specimens.

Materials and methods

We generated 10 new mitochondrial genomes either via conventional PCR and subsequent Sanger sequencing from two blood samples or via high‐throughput shotgun sequencing from degraded DNA extracted from eight museum specimens. Phylogenetic relationships and divergence times among baboon lineages were determined using maximum‐likelihood and Bayesian inferences.

Results

We identified new mitochondrial lineages in baboons from Central Africa (Chad, the Central African Republic), from the Mahale, and the Udzungwa Mountains (Tanzania), with the latter likely representing a case of mitochondrial capture from sympatric kipunjis (Rungwecebus kipunji). We also found that the mitochondrial clades of olive baboons found in Ivory Coast and Tanzania extend into Niger and the Democratic Republic of Congo, respectively. Moreover, an olive baboon from Sierra Leone carries a mitochondrial haplotype usually found in Guinea baboons, suggesting gene flow between these two species.

Discussion

The extension of the geographic sampling by including samples from areas difficult to visit or from populations that are most likely extirpated has improved the geographic and temporal resolution of the mitochondrial phylogeny of baboons considerably. Our study also shows the great value of museum material for genetic analyses even when DNA is highly degraded.
Single‐Molecule Ex Situ Atomic Force Microscopy Allows Detection of Individual Antibody–Antigen Interactions on a Semiconductor Chip Surface
Authors: Lu Ming-Pei , Weng Ying-Ya , Yang Yuh-Shyong
Published: November 2020

Although in situ atomic force microscopy (AFM) allows single‐molecule detection of antibody–antigen binding, the practical applications of in situ AFM for disease diagnosis are greatly limited, due to its operational complexity and long operational times, including the execution time for the surface chemical/biological treatments in the equipped glass liquid cell. Herein, a method of graphically superimposed alignment that enables ex situ AFM analysis of an immobilized antibody at the same location on a semiconductor chip surface before and after incubation with its antigen is presented. All of the required chemical/biological treatments are executed feasibly using standard laboratory containers, allowing single‐molecule ex situ AFM detection to be conducted with great practicality, flexibility, and versatility. As an example, the analysis of hepatitis B virus X protein (HBx) and its IgG antibody is described. Using ex situ AFM, individual information on the topographical characteristics of the immobilized single and aggregated IgG antibodies on the chip surface is extracted and the data are analyzed statistically. Furthermore, in a statistical manner, the changes in AFM‐measured heights of the individual and aggregated IgG antibodies that occur as a result of changes in conformation upon formation of IgG–HBx complexes are investigated.
The Membrane Axis of Alzheimer's Nanomedicine
Authors: Li Yuhuan , Tang Huayuan , Andrikopoulos Nicholas , Javed Ibrahim , Cecchetto Luca , Nandakumar Aparna , Kakinen Aleksandr , Davis Thomas P. , Ding Feng , Ke Pu Chun
Published: November 2020

Alzheimer's disease (AD) is a major neurological disorder impairing its carrier's cognitive function, memory, and lifespan. While the development of AD nanomedicine is still nascent, the field is evolving into a new scientific frontier driven by the diverse physicochemical properties and theranostic potential of nanomaterials and nanocomposites. Characteristic to the AD pathology is the deposition of amyloid plaques and tangles of amyloid beta (Aβ) and tau, whose aggregation kinetics may be curbed by nanoparticle inhibitors via sequence‐specific targeting or nonspecific interactions with the amyloidogenic proteins. As literature implicates cell membrane as a culprit in AD pathogenesis, herein, the membrane axis of AD nanomedicine is summarized and a new rationale that the field development may greatly benefit from harnessing our existing knowledge of Aβ‐membrane interaction, nanoparticle–membrane interaction, and Aβ–nanoparticle interaction is presented.
Lipid‐Based Nanocarriers for The Treatment of Glioblastoma
Authors: Iturrioz-Rodríguez Nerea , Bertorelli Rosalia , Ciofani Gianni
Published: November 2020

Glioblastoma multiforme (GBM) is the most common and malignant neoplasia having origin in the brain. The current treatments involve surgery, radiotherapy, and chemotherapy, being complete surgical resection the best option for the patient survival chances. However, in those cases where a complete removal is not possible, radiation and chemotherapy are applied. Herein, the main challenges of chemotherapy, and how they can be overcome with the help of nanomedicine, are approached. Natural pathways to cross the blood–brain barrier (BBB) are detailed, and different in vivo studies where these pathways are mimicked functionalizing the nanomaterial surface are shown. Later, lipid‐based nanocarriers, such as liposomes, solid lipid nanoparticles, and nanostructured lipid carriers, are presented. To finish, recent studies that have used lipid‐based nanosystems carrying not only therapeutic agents, yet also magnetic nanoparticles, are described. Although the advantages of using these types of nanosystems are explained, including their biocompatibility, the possibility of modifying their surface to enhance the cell targeting, and their intrinsic ability of BBB crossing, it is important to mention that research in this field is still at its early stage, and extensive preclinical and clinical investigations are mandatory in the close future.
DNA Triplex and Quadruplex Assembled Nanosensors for Correlating K+ and pH in Lysosomes
Authors: Chen Feng , Lu Qiujun , Huang Linna , Liu Biwu , Liu Meiling , Zhang Youyu , Liu Juewen
Published: November 2020

It remains an unanswered question whether the flux of K+ and H+ in lysosomes are correlated due to difficulties in simultaneously imaging these two ions. This question is of great value for understanding lysosomal acidification. Herein, we designed DNA quadruplex and triplex based luminescent nanosensors that can, respectively monitor K+ and pH in lysosomal lumen. Each sensor contained an upconversion nanoparticle luminophore and a gold nanoparticle quencher, producing green and blue luminescence signals for K+ and H+, respectively. The sensors were tested in buffers showing dynamic ranges of 5 to 200 mM K+ and pH 5.0 to 8.2. Co‐imaging using these two sensors in cells indicated that the influx of H+ was accompanied with the efflux of K+, solving this long‐standing question of the lysosomal biochemistry.
Modulare Synthese helikal‐chiraler Organobor‐Verbindungen: Ausschnitte verlängerter Helices
Authors: Full Julian , Panchal Santosh P. , Götz Julian , Krause Ana‐Maria , Nowak‐Król Agnieszka
Published: November 2020

Zwei Arten helikal‐chiraler Verbindungen mit einem oder zwei Boratomen wurden nach einem modularen Ansatz synthetisiert. Die Bildung der helikalen Strukturen erfolgte durch Einführung von Bor in flexible Biaryl‐ bzw. Triaryl‐Vorstufen, hergestellt aus kleinen achiralen Bausteinen. Die durchgehend ortho‐fusionierten Azabora[7]helicene zeichnen sich dabei durch außergewöhnliche Konfigurationsstabilität, blaue oder grüne Fluoreszenz in Lösung mit Quantenausbeuten (Φfl) von 18–24 %, grüne oder gelbe Emission im Festkörper (Φflbis zu 23 %) und starke chiroptische Resonanz mit großen Anisotropiefaktoren von bis zu 1.12×10−2aus. Azabora[9]helicene, aufgebaut aus winkelförmig sowie linear angeordneten Ringen, sind blaue Emitter mitΦflvon bis zu 47 % in CH2Cl2und 25 % im Festkörper. DFT‐Rechnungen zeigen, dass ihre P‐M‐Interkonversion über einen komplexeren Weg verläuft als im Fall vonH1. Röntgenstrukturanalyse von Einkristallen zeigt deutliche Unterschiede in der Packungsanordnung von Methyl‐ und Phenylderivaten auf. Die Moleküle werden als Primärstrukturen verlängerter Helices vorgeschlagen.
Determination of hydrogel swelling factors by two established and a novel non‐contact continuous method
Authors: Sievers Jan , Sperlich Karsten , Stahnke Thomas , Kreiner Christine , Eickner Thomas , Martin Heiner , Guthoff Rudolf F. , Schünemann Melanie , Bohn Sebastian , Stachs Oliver
Published: November 2020

Hydrogels were introduced as suitable materials for applications in, e.g., medical, agriculture, or daily life areas. Swelling characteristics of a hydrogel are important and must be precisely known for various fields of application. In medicine, where hydrogels are used as implants or drug delivery systems, precise knowledge of the swelling behavior is essential. Especially in ophthalmology as part of cataract surgery, the visco‐elastic properties of the hydrogels could even allow for the restoration of accommodation. The easiest way to describe the swelling is by measuring the swelling ratio, generally done by scaling. Besides that, it can also be done by volume investigations. The similarities and differences are studied on five hydrogel samples made of methyl methacrylate and N‐vinyl pyrrolidone. Additionally, a first camera‐based approach, potentially providing an automated, quasi‐continuous non‐contact method for swelling kinetics investigations, is described.
Post‐synthetic Modification of Covalent Organic Frameworks through in situ Polymerization of Aniline for Enhanced Capacitive Energy Storage
Authors: Dutta Tapas Kumar , Patra Abhijit
Published: November 2020

Covalent organic frameworks (COFs) having layered architecture with open nanochannels and high specific surface area are promising candidates for energy storage. However, the low electrical conductivity of two‐dimensional COFs often limits their scope in energy storage applications. The conductivity of COFs can be enhanced through post‐synthetic modification with conducting polymers. Herein, we developed polyaniline (PANI) modified triazine‐based COFs via in situ polymerization of aniline within the porous frameworks. The composite materials showed high conductivity of 1.4–1.9×10−2 S cm−1 at room temperature with a 20‐fold enhancement of the specific capacitance than the pristine frameworks. The fabricated supercapacitor exhibited a high energy density of 24.4 W h kg−1 and a power density of 200 W kg−1 at 0.5 A g−1 current density. Moreover, the device fabricated using the conducting polymer‐triazine COF composite could light up a green light‐emitting diode for 1 min after being charged for 10 s.
New dwarfs around the curly spiral galaxy M 63
Authors: Karachentsev Igor D. , Neyer Fabian , Späni Rainer , Zilch Thorsten
Published: November 2020

We present a deep (50‐hr exposed) image of the nearby spiral galaxy M 63 (NGC 5055), taken with a 0.14‐m aperture telescope. The galaxy halo exhibits the known, very faint system of stellar streams extending across 110 kpc. We found five very low‐surface‐brightness dwarf galaxies around M 63. Assuming they are satellites of M 63, their median parameters are: absolute B‐magnitude −8.8 mag, linear diameter 1.3 kpc, surface brightness ∼27.8 mag/sq. arcsec, and linear projected separation 93 kpc. Based on four brighter satellites with measured radial velocities, we found the low orbital mass estimate of M 63 to be (5.1 ± 1.8)1011M⊙ on a scale of ∼216 kpc. The specific property of M 63 is its declining rotation curve. Taking into account the declining rotation curves of the M 63 and three nearby massive galaxies, NGC 2683, NGC 2903, and NGC 3521, we recognize their low mean orbital mass‐to‐K‐band luminosity ratio, (4.8 ± 1.1) M⊙/L⊙, which is only ∼1/6 of the corresponding ratio for the Milky Way and M 31.
Paneth cells: Maintaining dynamic microbiome‐host homeostasis, protecting against inflammation and cancer
Authors: Nikolenko Vladimir N. , Oganesyan Marine V. , Sankova Maria V. , Bulygin Kirill V. , Vovkogon Andzhela D. , Rizaeva Negoriya A. , Sinelnikov Mikhail Y.
Published: November 2020

The human intestines are constantly under the influence of numerous pathological factors: enteropathogenic microorganisms, food antigens, physico‐chemical stress associated with digestion and bacterial metabolism, therefore it must be provided with a system of protection against adverse impact. Recent studies have shown that Paneth cells play a crucial role in maintaining homeostasis of the small intestines. Paneth cells perform many vital functions aimed at maintaining a homeostatic balance between normal microbiota, infectious pathogens and the human body, regulate the qualitative composition and number of intestinal microorganisms, prevent the introduction of potentially pathogenic species, and protect stem cells from damage. Paneth cells take part in adaptive and protective‐inflammatory reactions. Paneth cells maintain dynamic balance between microbial populations, and the macroorganism, preventing the development of intestinal infections and cancer. They play a crucial role in gastrointestinal homeostasis and may be key factors in the etiopathological progression of intestinal diseases.
Subgroup‐adaptive randomization for subgroup confirmation in clinical trials
Authors: Liu Zhongqiang , Ma Xuesi , Wang Zhaoliang
Published: November 2020

A well‐known issue when testing for treatment‐by‐subgroup interaction is its low power, as clinical trials are generally powered for establishing efficacy claims for the overall population, and they are usually not adequately powered for detecting interaction (Alosh, Huque, & Koch [2015] Journal of Biopharmaceutical Statistics, 25, 1161–1178). Hence, it is necessary to develop an adaptive design to improve the efficiency of detecting heterogeneous treatment effects within subgroups. Considering Neyman allocation can maximize the power of usual Z‐test (see p. 194 of the book edited by Rosenberger and Lachin), we propose a subgroup‐adaptive randomization procedure aiming to achieve Neyman allocation in both predefined subgroups and overall study population in this paper. To verify whether the proposed randomization procedure works as intended, relevant theoretical results are derived and displayed . Numerical studies show that the proposed randomization procedure has obvious advantages in power of tests compared with complete randomization and Pocock and Simon's minimization method.
Reduced type‐A carbohydrate‐binding module interactions to cellulose I leads to improved endocellulase activity
Authors: Nemmaru Bhargava , Ramirez Nicholas , Farino Cindy J. , Yarbrough John M. , Kravchenko Nicholas , Chundawat Shishir P. S.
Published: November 2020

Dissociation of nonproductively bound cellulolytic enzymes from cellulose is hypothesized to be a key rate‐limiting factor impeding cost‐effective biomass conversion to fermentable sugars. However, the role of carbohydrate‐binding modules (CBMs) in enabling nonproductive enzyme binding is not well understood. Here, we examine the subtle interplay of CBM binding and cellulose hydrolysis activity for three models type‐A CBMs (Families 1, 3a, and 64) tethered to multifunctional endoglucanase (CelE) on two distinct cellulose allomorphs (i.e., cellulose I and III). We generated a small library of mutant CBMs with varying cellulose affinity, as determined by equilibrium binding assays, followed by monitoring cellulose hydrolysis activity of CelE–CBM fusion constructs. Finally, kinetic binding assays using quartz crystal microbalance with dissipation were employed to measure CBM adsorption and desorption rate constants and , respectively, towards nanocrystalline cellulose derived from both allomorphs. Overall, our results indicate that reduced CBM equilibrium binding affinity towards cellulose I alone, resulting from increased desorption rates () and reduced effective adsorption rates (), is correlated to overall improved endocellulase activity. Future studies could employ similar approaches to unravel the role of CBMs in nonproductive enzyme binding and develop improved cellulolytic enzymes for industrial applications.
Renal function and outcomes in TAVR patients: Complexity in real world
Authors: Musumeci Giuseppe , Colopi Marzia
Published: November 2020

Key Points

Renal dysfunction is a relevant medical issue for patients undergoing TAVR.

Chronic kidney disease and postprocedural acute kidney injury are independent predictors of worse outcome after TAVR procedure.

Meticulous preprocedural planning and multidisciplinary heart‐team management could mitigate renal damage.
WO3 Rich in Oxygen Vacancies Through Ion‐Exchange Reaction for Enhanced Electrocatalytic N2 Reduction to NH3
Authors: Zhang Junbo , Jiang Cheng , Du Yanqiu , Sheng Lei , Huang Xianli , Wang Tao , He Jianping
Published: November 2020

Electrochemical route is an admirable strategy for N2 fixation to NH3, which can save more energy and reduce greenhouse gas emissions compared with the Haber‐Bosch process. However, it still suffers from extremely low ammonia yield for the lack of effective electrocatalysts and shows low Faraday efficiency due to competitive hydrogen evolution reaction (HER). Herein, we firstly synthesized needle‐like K0.33WO3.16 (K‐WO3) by molten salt method, then K0.33WO3.16 with surface defect structure (WO3‐OV) was successfully obtained through ion‐exchange of H+ and dehydration process. An obvious absorption enhancement in the near infrared region exhibited in UV‐vis absorption spectra and a significant ESR signal at g=2.003 proves the existence of O vacancies. The abundant oxygen vacancies ensure that Faraday efficiency of WO3‐OV gets improved to 25.45 % at −0.3 V (vs RHE), much superior to K‐WO3 (FE: 9.33 %). It is worth noting that defect‐rich WO3‐OV also shows high electrochemical stability.
Regiospecific Synthesis of Calcium‐Independent Daptomycin Antibiotics using a Chemoenzymatic Method
Authors: Mupparapu Nagaraju , Lin Yu‐Hsin Cindy , Kim Tae Ho , Elshahawi Sherif I.
Published: November 2020

Daptomycin (DAP) is a calcium (Ca2+)‐dependent FDA‐approved antibiotic drug for the treatment of Gram‐positive infections. It possesses a complex pharmacophore hampering derivatization and/or synthesis of analogues. To mimic the Ca2+‐binding effect, we used a chemoenzymatic approach to modify the tryptophan (Trp) residue of DAP and synthesize kinetically characterized and structurally elucidated regiospecific Trp‐modified DAP analogues. We demonstrated that the modified DAPs are several times more active than the parent molecule against antibiotic‐susceptible and antibiotic‐resistant Gram‐positive bacteria. Strikingly, and in contrast to the parent molecule, the DAP derivatives do not rely on calcium or any additional elements for activity.
Real‐Time Visualization of Internal and External Concentration Fields in Multiphase Systems via Laser‐induced Fluorescence and Rainbow Schlieren Deflectometry During and After Droplet Production
Authors: Heine Jens Stefan , Schulz Joschka Marco , Junne Henning , Böhm Lutz , Kraume Matthias , Bart Hans‐Jörg
Published: November 2020

The applicability of laser‐induced dye fluorescence (LIF) and rainbow schlieren deflectometry (RSD) for qualitative, non‐invasive real‐time visualization of spatial concentration distributions in two standard reference systems is presented. The combination of LIF and RSD enables measurements inside and outside of droplets and is able to overcome limitations of both measurement techniques. Experimental results in the presence of interfacial phenomena are compared and the connection between inner and outer effects is shown during droplet production at a capillary.
Smart selection of optimizations in dynamic compilers
Authors: Martins do Rosario Vanderson , Faustino da Silva Anderson , Aparecida Silva Camacho Thais , Napoli Otávio O. , Breternitz Mauricio , Borin Edson
Published: November 2020

Dynamic compilers perform compilation and generation of target code during runtime, implying that the compilation time is added into the program runtime. Thus, to build a high‐performing dynamic compilation system, it is crucial to be able to generate high‐quality code and, at the same time, have a small compilation cost. In this article, we present an approach that uses machine learning to select sequences of optimization for dynamic compilation that considers both code quality and compilation overhead. Our approach starts by training a model, offline, with a knowledge bank of those sequences with low overhead and high‐quality code generation capability using a genetic heuristic. Then, this bank is used to guide the smart selection of optimizations sequences for the compilation of code fragments during the emulation of an application. We evaluate the proposed strategy in two LLVM‐based dynamic binary translators, namely OI‐DBT and HQEMU, and show that these two translators can achieve average speedups of 1.26x and 1.15x in MiBench and Spec Cpu benchmarks, respectively.
Research on children's cognitive development for learning disabilities using recommendation method
Authors: Shen Xiao , Xu Chonghuan
Published: November 2020

In order to achieve effective cognitive training that can significantly improve the learning abilities of children with learning disabilities, we consider the computer‐based assistive technologies and propose a personalized cognitive training items recommendation method based on children's preferences and evaluation values. First, we devise an improved cognitive ability evaluation method to evaluate children's cognitive ability values. Second, we transform these values to corresponding cognitive levels using K‐means clustering algorithm and form comprehensive cognitive level maps to reveal the strengths and weaknesses of children in terms of cognitive abilities. Finally, an improved collaborative filtering recommendation method combining children's preferences and evaluation values are represented to generate a superior training proposal. The proposed method is implemented on our cognitive development platform (CogDaily) which is an assistive system and used for testing and practicing. The fifth‐grade students with learning disabilities in mathematics in a primary school in Hangzhou are selected as subjects. They are divided into test group and control group for 2 weeks of testing through this platform. The analysis results of the changes of cognitive abilities before and after the experiment show that the accurate recommendation proposal can effectively enhance children's cognitive abilities and improve their learning abilities.
An effective architecture of digital twin system to support human decision making and AI‐driven autonomy
Authors: Mostafa Fahed , Tao Longquan , Yu Wenjin
Published: November 2020

With the development of IoT technologies, digital twin has become an increasingly popular concept that is considered the next generation of digitalization for decision making support (human‐oriented) and even fully autonomous. However, although there are a few research projects that have proposed available digital twin architectures, they are either missing critical components or difficult to be converted into a practical application. In this article, everything we proposed had been implemented in our production environment and is facilitating our manufacturing and mining processes. It is initiated by a data analytic maturity model which formulates the evaluation route of data analytics. Then, a novel six‐layer digital twin model is established that aims to set the standards. In this model, we defined that all the automated calculation jobs should be driven by digital twin metadata such as the hyperparameters of machine learning. The metadata will be updated by metadata updating feedback flow which most current digital twin projects are missing.
Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
Authors: Djurišić Ivana , Dražić Miloš S. , Tomović Aleksandar Ž. , Spasenović Marko , Šljivančanin Željko , Jovanović Vladimir P. , Zikic Radomir
Published: November 2020

Functionalization of electrodes is a wide‐used strategy in various applications ranging from single‐molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non‐equilibrium Green′s function formalism combined with density functional theory, that single‐species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in‐gap electrostatic field, induced by species‐dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field‐effect transistors. We also observed the local gating in graphene nanopores terminated with different single‐species atoms. Nitrogen‐terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in‐gap potential can be transformed from a plateau‐like to a saddle‐like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle‐like potential is applicable in single‐ion trapping and desalination devices.
Mechanofluorochromic Anthryl Phosphonate/Benzoic Acid Cocrystals with a Large Blue Shift: The Role of P=O⋅⋅⋅H Interactions
Authors: Prusti Banchhanidhi , Chakravarty Manab
Published: November 2020

Organophosphonates have a rich and diverse chemistry, but their mechanofluorochromic features have rarely been documented. Herein, we report on cocrystals of anthranylphosphonate with (E)‐4‐(2‐(anthracen‐9‐yl)vinyl)benzoic acid that exhibit reversible mechanofluorochromic properties with large blue shifts. Anisotropic grinding (or pressure of just 25 kPa) maintains the co‐crystals emission features but leads to a pronounced 59 nm (2087 cm−1) blue‐shift. Such an impressive blue‐shift for a cocrystal has not been reported to date. The underlying causes for the blue‐shift were validated by X‐ray diffraction (powder and single crystal) studies and Hirshfeld surface analysis. Twisted molecular conformations and P=O⋅⋅⋅ H/C=O⋅⋅⋅H/C⋅⋅⋅H noncovalent interactions afford molecular arrangements via slip‐stacks with two different pitch angles and relatively larger interlayer distances. The new compound was established as a potential medium for optical recording and security display.
Isolable 1‐Butene Copper(I) Complexes and 1‐Butene/Butane Separation Using Structurally Adaptable Copper Pyrazolates
Authors: Elashkar Ahmed H. , Parasar Devaborniny , Muñoz‐Castro Alvaro , Doherty Cara M. , Cowan Matthew G. , Dias H. V. Rasika
Published: November 2020

Non‐porous small molecule adsorbents such as {[3,5‐(CF3)2Pz]Cu}3 (where Pz=pyrazolate) are an emerging class of materials that display attractive features for ethene−ethane separation. This work examines the chemistry of fluorinated copper(I) pyrazolates {[3,5‐(CF3)2Pz]Cu}3 and {[4‐Br‐3,5‐(CF3)2Pz]Cu}3 with much larger 1‐butene in both solution and solid state, and reports the isolation of rare 1‐butene complexes of copper(I), {[3,5‐(CF3)2Pz]Cu(H2C=CHC2H5)}2 and {[4‐Br‐3,5‐(CF3)2Pz]Cu(H2C=CHC2H5)}2 and their structural, spectroscopic, and computational data. The copper−butene adduct formation in solution involves olefin‐induced structural transformation of trinuclear copper(I) pyrazolates to dinuclear mixed‐ligand systems. Remarkably, larger 1‐butene is able to penetrate the dense solid material and to coordinate with copper(I) ions at high molar occupancy. A comparison to analogous ethene and propene complexes of copper(I) is also provided.
Lignin Cellulose Nanofibrils as an Electrochemically Functional Component for High‐Performance and Flexible Supercapacitor Electrodes
Authors: Tanguy Nicolas R. , Wu Haoran , Nair Sandeep S. , Lian Keryn , Yan Ning
Published: November 2020

The increasing demand for wearable electronics has driven the development of supercapacitor electrode materials toward enhanced energy density, while being mechanically strong, flexible, as well as environmentally friendly and low‐cost. Taking advantage of faradaic reaction of quinone groups in natural lignin that is covalently bound to the high‐strength cellulose nanofibrils, the fabrication of a novel class of mechanically strong and flexible thin film electrodes with high energy storage performance is reported. The electrodes were made by growing polyaniline (PANI) on flexible films composed of lignin‐containing cellulose nanofibrils (LCNF) and reduced graphene oxide (rGO) nanosheets at various loading levels. The highest specific capacitance was observed for the LCNF/rGO/PANI electrode with 20 wt% rGO nanosheets (475 F g−1 at 10 mV s−1 and 733 F g−1 at 1 mV s−1), which represented a 68 % improvement as compared to a similar electrode made without lignin. In addition, the LCNF/rGO(20)/PANI electrode demonstrated high rate performance and cycle life (87 % after 5000 cycles). These results indicated that LCNF functioned as an electrochemically active multifunctional component to impart the composite electrode with mechanical strength and flexibility and enhanced overall energy storage performance. LCNF/rGO(20)/PANI electrode was further integrated in a flexible supercapacitor device, revealing the excellent promise of LCNF for fabrication of advanced flexible electrodes with reduced cost and environmental footprint and enhanced mechanical and energy storage performances.
Graphene Modified Polyaniline‐Hydrogel Based Stretchable Supercapacitor with High Capacitance and Excellent Stretching Stability
Authors: Chen Wen , Jiang Shunqiong , Xiao Han , Zhou Xufeng , Xu Xueyan , Yang Jingdong , Siddique Ahmad Hassan , Liu Zhaoping
Published: November 2020

Conjugated polymers have been widely adopted as active materials in hydrogel‐based stretchable supercapacitors, but the relatively low conductivity and poor structural stability limit their applications. Herein, highly conductive graphene was incorporated as a substrate to anchor polyaniline (PANI) in a hydrogel‐based stretchable electrode. Graphene not only provided an effective conducting network in the electrode, but also stabilized PANI during repeating charge‐discharge processes due to strong π‐π interaction between graphene and PANI. The obtained electrode showed high capacitance of 500.13 mF cm−2 and 100 % capacitance retention after 10000 charge‐discharge cycles. The symmetrical supercapacitor using this novel stretchable electrode showed a high capacitance of 218.26 mF cm−2, high capacitance retention of 43 % even when stretched at 150 % strain, and no capacitance decay when stretched to 100 % and then released to 0 % repeatedly for 2000 cycles, all of which were much better than the device based on the electrode without adding graphene. Such outstanding electrochemical performance shows the great application potential of highly conductive graphene in conjugated polymer‐based stretchable energy storage devices.
Social media usage and individuals' intentions toward adopting Bitcoin: The role of the theory of planned behavior and perceived risk
Authors: Anser Muhammad Khalid , Zaigham Ghulam Hussain Khan , Imran Rasheed Muhammad , Pitafi Abdul Hameed , Iqbal Jawad , Luqman Adeel
Published: November 2020

Despite the increasing popularity and recognition of cryptocurrencies, little is known about the contextual and psychological variables that predict the behavioral intentions of individuals toward adopting a cryptocurrency such as Bitcoin. Utilizing the extended theory of planned behavior (TPB), authors have developed and tested a theoretical model to investigate the relationship between the usage of social media and the intentions of individuals toward adopting Bitcoin. We empirically tested our conceptualized research model using the primary data collected from 443 respondents through a survey conducted in China. Results have shown that the usage of social media is positively associated with users' intentions toward adopting Bitcoin through their attitudes, subjective norms, and perceived behavioral control. Individuals' intentions are subsequently associated with their actual behavior toward the adoption of Bitcoin, while we found perceived risk associated with Bitcoin as a moderator on the relationship between the intentions of individuals and their actual behavior. This study extended the TPB in understanding various psychological and contextual factors that predict the adoption of Bitcoin. Moreover, important theoretical and practical implications, as well as the limitations of the study, are discussed.
Combination of canstatin and arsenic trioxide suppresses the development of hepatocellular carcinoma
Authors: Zhang Fan , Duan Jingjing , Song Hailin , Yang Li , Zhou Ming , Wang Xuewen
Published: November 2020

Complication of arsenic trioxide (ATO) and other drugs in cancer treatment has attracted much focus, but is limitedly investigated in hepatocellular carcinoma (HCC). This study aimed to explore the role of ATO combined with canstatin in HCC. HepG2 cells were treated with different concentrations of ATO with or without canstatin, CCK‐8, flow cytometry, Transwell assays were conducted to determine cell proliferation, apoptosis, adhesion, migration, and invasion abilities. Besides, the protein expression or mRNA level of caspase‐3, PCNA, and MMP‐2 was measured using western blotting or qRT‐PCR. BALB/c‐nu/nu mice were used to establish nude mouse transplantation tumor model, and received ATO or canstatin treatment for 3 weeks. The results showed that ATO inhibited cell proliferation, adhesion, migration and invasion, and promoted cell apoptosis with a concentration‐dependent way. Canstatin had a significantly inhibitory effect on cell proliferation, but had limited effects on the other cellular behaviors. Besides, combination with ATO and canstatin strengthened the effects of ATO alone on cell proliferation inhibition and cell apoptosis promotion. Moreover, both of ATO and canstatin increased the protein expression of caspase‐3, while decreased PCNA and MMP‐2, which was further strengthened upon their combination. Furthermore, both of ATO and canstatin inhibited tumor growth in vivo, which was also strengthened upon their combination. Collectively, we found that combined canstatin and ATO significantly inhibited cell proliferation, migration and adhesion abilities, and promoted cell apoptosis, and inhibited tumor growth, thus suppressed the progression of HCC.
Establishing the South Australian Macrobenthic Traits (SAMT) database: A trait classification for functional assessments
Authors: Lam‐Gordillo Orlando , Baring Ryan , Dittmann Sabine
Published: November 2020

Trait‐based approaches are increasingly used as a proxy for understanding the relationship between biodiversity and ecosystem functioning. Macrobenthic fauna are considered one of the major providers of ecosystem functions in marine soft sediments; however, several gaps persist in the knowledge of their trait classification, limiting the potential use of functional assessments. While trait databases are available for the well‐studied North Atlantic benthic fauna, no such trait classification system exists for Australia. Here, we present the South Australian Macrobenthic Traits (SAMT) database, the first comprehensive assessment of macrobenthic fauna traits in temperate Australian waters. The SAMT database includes 13 traits and 54 trait‐modalities (e.g., life history, morphology, physiology, and behavior), and is based on records of macrobenthic fauna from South Australia. We provide trait information for more than 250 macrobenthic taxa, including outcomes from a fuzzy coding procedure, as well as an R package for using and analyzing the SAMT database. The establishment of the SAMT constitutes the foundation for a comprehensive macrobenthic trait database for the wider southern Australian region that could facilitate future research on functional perspectives, such as assessments of functional diversity and changes to ecosystem functioning.
Identifying different phenotypes in takotsubo cardiomyopathy by latent class analysis
Authors: Li Pengyang , Dai Qiying , Cai Peng , Teng Catherine , Pan Su , Dixon Richard A.F. , Liu Qi
Published: November 2020

Aims

This study sought to determine whether clinical clusters exist in takotsubo cardiomyopathy. Takotsubo cardiomyopathy (TCM) is a heterogeneous disorder with a complex, poorly understood pathogenesis. To better understand the heterogeneity of TCM, we identified different clinical phenotypes in a large sample of TCM patients by using latent class analysis (LCA).

Methods and results

Using the National Inpatient Sample (NIS) database, we identified 3139 patients admitted to hospitals in 2016–2017 with a primary diagnosis of TCM. We performed LCA based on several patient demographics and comorbidities: age, sex, hypertension, hyperlipidaemia, diabetes mellitus, obesity, current smoking, asthma, chronic obstructive pulmonary disease (COPD), and anxiety and depressive disorders. We then repeated LCA separately with the NIS 2016 and 2017 data sets and performed a robust test to validate our results. We also compared in‐hospital outcomes among the different clusters identified by LCA. Four patient clusters were identified. C1 (n = 1228, 39.4%) had the highest prevalence of hyperlipidaemia (93.4%), hypertension (61.6%), and diabetes (34.3%). In C2 (n = 440, 14.0%), all patients had COPD, and many were smokers (45.8%). C3 (n = 376, 11.8%) largely comprised patients with anxiety disorders (98.4%) and depressive disorders (80.1%). C4 (n = 1097, 34.8%) comprised patients with isolated TCM and few comorbidities. Among all clusters, C1 had the lowest in‐hospital mortality (1.0%) and the shortest length of stay (3.2 ± 3.1 days), whereas C2 had the highest in‐hospital mortality (3.4%).

Conclusions

Using LCA, we identified four clinical phenotypes of TCM. These may reflect different pathophysiological processes in TCM. Our findings may help identify treatment targets and select patients for future clinical trials.
Expanding the 0D Rb7M3X16 (M=Sb, Bi; X=Br, I) Family: Dual‐Band Luminescence in Rb7Sb3Br16
Authors: McCall Kyle M. , Benin Bogdan M. , Wörle Michael , Vonderach Thomas , Günther Detlef , Kovalenko Maksym V.
Published: November 2020

Inorganic, lead‐free metal halides are widely sought after following the rise of the halide perovskites as outstanding optoelectronic materials, due to their enhanced stability and reduced toxicity. Herein, we report on the solvothermal synthesis of Rb7Sb3Br16, which exhibits a 0D structure comprised of [SbBr6]3− octahedra and edge‐sharing bioctahedra [Sb2Br10]4− dimers that order into layers along the c‐axis. This all‐inorganic material is air‐stable and exhibits weak orange photoluminescence (PL) at room temperature. Low‐temperature PL and PL excitation (PLE) measurements reveal the presence of two distinct emission bands that originate from these structural units, with the high‐energy emission quenching as temperature rises beyond 150 K. We are also able to obtain Rb7Bi3Br16 and Rb7Bi3I16 which both crystallize in orthorhombic symmetry, with Rb7Bi3Br16 presenting weak low‐temperature luminescence while Rb7Bi3I16 is non‐luminescent. This work expands the library of emissive inorganic metal halides and provides further evidence for the efficacy of low‐dimensional Sb−X luminescent centers based on octahedral and edge‐sharing [Sb2X10]4− dimers.
The combined action of monocytic myeloid‐derived suppressor cells and mucosal‐associated invariant T cells promotes the progression of cervical cancer
Authors: Lu Zhimin , Zhu Mengting , Marley Jordan Lee , Bi Kaihuan , Wang Kangxia , Zhai Muxin , Hu Hui , Guo Peipei , Li Caihua , Xu Yuping , Chen Ya , Zhou Ping , Wei Zhaolian , Jiang Huanhuan , Cao Yunxia
Published: November 2020

One of the most common promoters of the initiation and growth of the tumor is an immune disturbance. Numerous immune cells and inflammatory factors play a role in the tumor‐immune microenvironment. However, few studies have investigated the correlation between these immunological events and clinical consequences in cervical cancer. We measured the levels of numerous inflammatory mediators and frequencies of regulatory T cells (Tregs), myeloid‐derived suppressor cells (MDSCs) and mucosal‐associated invariant T (MAIT) cells in peripheral blood (PB) of cervical cancer patients. Cervical cancer patients showed elevated production of interleukin (IL)‐18 and plasma C‐C chemokine ligand (CCL) 3/5. Meanwhile, an accumulation of C‐C chemokine receptor 5 (CCR5) monocytic (Mo)‐MDSCs and Tregs was observed. The cervical cancer group displayed increased frequencies of CD8+, CD4+and highly activated CD38+CD8+MAIT cells, and reduction of double‐negative (DN) and PD1(CD279+) DN MAIT cells. Importantly, it was demonstrated that MAIT cells were positively related to Mo‐MDSCs. Furthermore, an elevated concentration of PD1(CD279+) DN MAIT cells was significantly related to increased progression‐free survival of patients with cervical cancer. In conclusion, our study suggests that the combined action of Mo‐MDSCs and MAIT cells might be associated with the progression of cervical cancer, and the frequency of DN MAIT cells in the peripheral blood mononuclear cells was associated with the survival benefit of patients.
Insider trading in the run‐up to merger announcements. Before and after the UK's Financial Services Act 2012
Authors: Pham Rebecca , Ausloos Marcel
Published: November 2020

After the 2007/2008 financial crisis, the UK government decided that a change in regulation was required to amend the poor control of financial markets. The Financial Services Act 2012 was developed as a result in order to give more control and authority to the regulators of financial markets. Thus, the Financial Conduct Authority (FCA) succeeded the Financial Services Authority (FSA). An area requiring an improvement in regulation was insider trading. Our study examines the effectiveness of the FCA in its duty of regulating insider trading through utilising the event study methodology to assess abnormal returns in the run‐up to the first announcement of mergers. Samples of abnormal returns are examined on periods, under regulation either by the FSA or by the FCA. Practically, stock price data on the London Stock Exchange from 2008 to 2012 and from 2015 to 2019 are investigated. The results from this study determine that abnormal returns are reduced after the implementation of the Financial Services Act 2012; prices are also found to be noisier in the period before the 2012 Act. Insignificant abnormal returns are found in the run‐up to the first announcement of mergers in the 2015–2019 period. This concludes that the FCA is efficient in regulating insider trading.
The effectiveness of smartphone compassion training on stress among Swedish university students: A pilot randomized trial
Authors: Andersson Christina , Bergsten Katja Lindert , Lilliengren Peter , Norbäck Kajsa , Rask Karin , Einhorn Stefan , Osika Walter
Published: November 2020

Objective

To investigate the effects of a 6‐week smartphone compassion training intervention on mental health.

Method

Fifty‐seven Swedish university students (mean age = 25, SD = 5) reporting high levels of stress were randomized to compassion training (n = 23), mindfulness (n = 19), or waitlist (n = 15).

Result

Multilevel models indicated that both compassion and mindfulness training increased self‐compassion compared to the waitlist, while only compassion significantly reduced stress. Between‐group effect sizes for compassion compared to waitlist were large for both self‐compassion (d = 1.61) and stress (d = 0.94). Compassion and mindfulness did not differ significantly, but effect sizes were in favor of compassion. Secondary outcomes indicated positive effects on emotional awareness, while no effect was found for global psychological distress.

Conclusions

Our results suggest that compassion training via a smartphone application can improve self‐compassion and reduce stress among university students. Future studies in larger clinical samples are warranted.
The PKGIα–Rac1 pathway is a novel regulator of insulin‐dependent glucose uptake in cultured rat podocytes
Authors: Audzeyenka Irena , Rogacka Dorota , Rachubik Patrycja , Typiak Marlena , Rychłowski Michał , Angielski Stefan , Piwkowska Agnieszka
Published: November 2020

Insulin plays a major role in regulating glucose homeostasis in podocytes. Protein kinase G type Iα (PKGIα) plays an important role in regulating glucose uptake in these cells. Rac1 signaling plays an essential role in the reorganization of the actin cytoskeleton and is also essential for insulin‐stimulated glucose transport. The experiments were conducted using primary rat podocytes. We performed western blot analysis, evaluated small GTPases activity assays, measured radioactive glucose uptake, and performed immunofluorescence imaging to analyze the role of PKGIα‐Rac1 signaling in regulating podocyte function. We also utilized a small‐interfering RNA‐mediated approach to determine the role of PKGIα and Rac1 in regulating glucose uptake in podocytes. The present study investigated the influence of the PKGI pathway on the insulin‐dependent regulation of activity and cellular localization of small guanosine triphosphatases in podocytes. We found that the PKGIα‐dependent activation of Rac1 signaling induced activation of the PAK/cofilin pathway and increased insulin‐mediated glucose uptake in podocytes. The downregulation of PKGIα or Rac1 expression abolished this effect. Rac1 silencing prevented actin remodeling and GLUT4 translocation close to the cell membrane. These data provide evidence that PKGIα‐dependent activation of the Rac1 signaling pathways is a novel regulator of insulin‐mediated glucose uptake in cultured rat podocytes.