bluuebunny/crossref_metadata_2025 huggingface dataset:
Methane Detection with a Tungsten‐Calix[4]arene‐Based Conducting Polymer Embedded Sensor Array
Authors: Lu Ru‐Qiang , Luo Shao‐Xiong Lennon , He Qilin , Concellón Alberto , Swager Timothy M.
Published: November 2020

The detection of methane is important for industry, environment, and our daily life, but is made challenging by its small size, high volatility, and nonpolar nature. Herein, a tungsten‐capped calix[4]arene‐based p‐doped conducting polymer with hexafluorophosphate or perchlorate counter‐anions as a transducer is used to detect methane in dry air. The host–guest interaction between calixarene moieties within the polymer chain and methane molecules leads to the resistance variation of the polymer. The experimental limit of detection (LoD) of methane for the polymer‐based sensor is demonstrated to be less than 50 ppm at room temperature, and the extrapolated theoretical LoD of 2 ppm represents exceptional sensitivity to methane. Furthermore, the discrimination of methane from interfering volatile organic compounds is achieved by exploiting a sensor array using complementary chemiresistors and principal component analysis.
Photothermo‐Promoted Nanocatalysis Combined with H2S‐Mediated Respiration Inhibition for Efficient Cancer Therapy
Authors: Yang Zebin , Luo Yu , Hu Yanan , Liang Kaicheng , He Gao , Chen Qian , Wang Qigang , Chen Hangrong
Published: November 2020

Nanocatalytic medicine has emerged as a promising method for the specific cancer therapy by mediating the interaction between tumor microenvironment biomarkers and nanoagents. However, the produced antitumor cell killing molecules, such as reactive oxygen species (ROS), by catalysis are insufficient to inhibit tumor growth. Herein, a novel kind of polyvinyl pyrrolidone modified multifunctional iron sulfide nanoparticles (Fe1−xS‐PVP NPs) is developed via a one‐step hydrothermal method, which exhibits high photothermal (PT) conversion efficiency (η = 24%) under the irradiation of 808 nm near‐infrared laser. The increased temperature further facilitates the Fenton reaction to generate abundant •OH radicals. More importantly, under an acidic (pH = 6.5) condition within tumor environment, the Fe1−xS‐PVP NPs can in situ produce H2S gas, which is evidenced to suppress the activity of enzyme cytochrome c oxidase (COX IV) in cancer cells, contributing to inhibit the growth of tumor. Both in vitro and in vivo results demonstrate that the H2S‐mediated gas therapy in combination with PT enhanced ROS achieves excellent antitumor performance, which can open up a new approach for the design of gas‐mediated cancer treatment.
Does an Income Gap between Farm and Nonfarm Households Still Exist? The Case of the European Union
Authors: Rocchi Benedetto , Marino Maria , Severini Simone
Published: November 2020

The paper compares the income conditions of farm and nonfarm households in the whole EU and within three geographical groups of countries for the period 2008–2016. Overcoming the simple comparison of raw means of the groups, we estimate the farm/nonfarm income differentials by using Regression Adjusted and Covariate Matching techniques, which allow to control for observable characteristics among groups. Three innovative features of our analysis are that we account for the whole income of farm households (i.e. not only farm income), for the presence of in‐kind incomes from self‐consumption of produced goods and imputed rents from properties, and for the complex survey design. We find that an income differential still exists but with relevant differences across countries and along the period. Most of it is due to differences in the households’ characteristics. Hence, comparing raw means of the two groups can be misleading. Nonmonetary sources of income play a not negligible role, improving the relative position of farm households. The role of agricultural and rural policy is discussed in the light of results.
Genetic control of tumor development in malformation syndromes
Authors: Postema Floor A.M. , Oosterwijk Jan C. , Hennekam Raoul C.
Published: November 2020

One of the questions that arises frequently when caring for an individual with a malformation syndrome, is whether some form of tumor surveillance is indicated. In some syndromes there is a highly variable increased risk to develop tumors, while in others this is not the case. The risks can be hard to predict and difficult to explain to affected individuals and their families, and often also to caregivers. The queries arise especially if syndrome causing mutations are also known to occur in tumors. It needs insight in the mechanisms to understand and explain differences of tumor occurrence, and to offer optimal care to individuals with syndromes. Here we provide a short overview of the major mechanisms of the control for tumor occurrences in malformation syndromes.
Enantioselective Intermolecular Heck and Reductive Heck Reactions of Aryl Triflates, Mesylates, and Tosylates Catalyzed by Nickel
Authors: Huang Xiaolei , Teng Shenghan , Chi Yonggui Robin , Xu Wenqiang , Pu Maoping , Wu Yun‐Dong , Zhou Jianrong Steve
Published: November 2020

Nickel‐catalyzed intermolecular Heck reaction of cycloalkenes proceeds well with aryl triflates, mesylates and tosylates in excellent enantiomeric ratios. The asymmetric reductive Heck reaction also works with a 2‐cyclopentenone ketal, which is equivalent to conjugate arylation of the enone itself.
HPM‐14: A New Germanosilicate Zeolite with Interconnected Extra‐Large Pores Plus Odd‐Membered and Small Pores**
Authors: Gao Zihao Rei , Li Jian , Lin Cong , Mayoral Alvaro , Sun Junliang , Camblor Miguel A.
Published: November 2020

HPM‐14 is a new extra‐large pore zeolite synthesized using imidazolium‐based organic structure‐directing agents (SDAs), fluoride anions, and germanium and silicon as tetrahedral components of the framework. Owing to the presence of stacking disorder, the structure elucidation of HPM‐14 was challenging, and different techniques were necessary to clarify the details of the structure and to understand the nature of the disorder. The structure has been solved by three‐dimensional electron‐diffraction technique (3D ED) and consists of an intergrowth of two polymorphs possessing a three‐dimensional channel system, including an extra‐large pore opened through windows made up of sixteen tetrahedral atoms (16‐membered ring, 16MR) as well as two additional sets of odd‐membered (9MR) and small (8MR) pores. The intergrowth has been studied by scanning transmission electron microscopy (Cs‐STEM) and powder X‐ray diffraction simulations (DIFFaX), which show a large predominance of the monoclinic polymorph A.
A 34‐Electron Superatom Ag78 Cluster with Regioselective Ternary Ligands Shells and Its 2D Rhombic Superlattice Assembly
Authors: Zhang Wen‐Jing , Liu Zhen , Song Ke‐Peng , Aikens Christine M. , Zhang Shan‐Shan , Wang Zhi , Tung Chen‐Ho , Sun Di
Published: November 2020

Herein, we report a 78‐nuclei silver nanocluster (NC) [Ag78(iPrPhS)30(dppm)10Cl10]4+ (SD/Ag78a; dppm=bis‐(diphenylphosphino)methane) that was synthesized through a one‐pot reaction using [Ag(pz)]n as precursor (Hpz=pyrazole) and further characterized by X‐ray crystallography. SD/Ag78a shows a core–shell structure comprised of an all‐metallic Ag53 kernel surrounded by an Ag25 discontinuous metal–organic shell. The Ag53 kernel is an Ag13 Ino decahedron encaged by an Ag40 drum‐like shell, while the Ag25 shell consists of two Ag10S10P10Cl5 rings and five S‐Ag‐S staples. Three types of ligands regioselectively cap on the surface of the Ag78 NC, forming diverse metal–ligand interfacial structures. The NC is a closed‐shell 34‐electron superatom with +4 charge state and shows highly featured molecule‐like absorption spectra in the UV/Vis region with a maximum around 493 nm. The rhombic superlattice assembled from SD/Ag78a through intercluster C−H⋅⋅⋅π interactions can be formed by a simple drop‐casting treatment.
Effect of thermo‐oxidative aging on surface characteristics of benzoxazine and epoxy copolymer
Authors: Moghtadernejad Sara , Barjasteh Ehsan , Johnson Zachary , Stolpe Thomas , Banuelos Jose
Published: November 2020

The copolymer of bisphenol A‐based benzoxazine and cycloaliphatic epoxy resin possesses greater processability and glass‐transition temperature compared to that of benzoxazine homopolymer, making it suitable for high‐temperature aerospace applications. The aim of this work is to investigate the behavior of the copolymers under thermos‐oxidative aging conditions using the surface characterization techniques. The benzoxazine homopolymer and copolymer samples were thermally aged in an air‐circulating oven under controlled temperatures of 180 and 200°C for various periods of time up to 24 weeks. The thermo‐oxidative‐induced weight change and surface cracking were monitored for samples during the aging period. As an alternative method to characterize thermal aging, static contact angle, and contact angle hysteresis of samples were measured over time. Moreover, droplet impact tests using deionized water were performed on stationary and moving samples to investigate the effects of aging time and temperature on impact dynamics of droplets. In addition, FTIR analysis was performed to evaluate the chemical changes on the surface of samples. The results indicated the extent of degradation of aged samples increased with increasing the aging time and temperature. In addition, the copolymer of cycloaliphatic epoxy and benzoxazine showed a greater amount of thermos‐oxidative degradation than the one for benzoxazine homopolymer. More importantly, the results obtained from the surface analysis measurements (e.g., contact angle) followed a similar trend to the one obtained from the traditional aging experiments (e.g., weight change). This showed the former nondestructive and simple method can be used to monitor thermal aging of materials in service.
Wind energy conversion system under asymmetrical voltage failures: Analysis and nonlinear control
Authors: Fernández Roberto D. , Valenciaga Fernando , Peña Ricardo R.
Published: November 2020

This work presents the analysis and proposes nonlinear controls of a wind energy conversion system (WECS) to pass through symmetrical and asymmetrical voltage failures. The WECS is equipped with a nonsalient pole permanent magnet synchronous generator (PMSG) and two full converters, synchronous generator side converter (SGSC) and grid side converter (GSC), joined by a direct current (DC) link. As a consequence of the strong disturbances considered, a general strategy based on grid voltage values changes control references at SGSC and GSC. This strategy uses two flags for indicating normal grid voltages, symmetrical faults, or asymmetrical ones. Then, while control laws deal with model uncertainties and fast disturbances due to wind gusts, the strategy changes references to surpass strong, probably unbalanced, grid voltages disturbances. To assure robust properties, controllers are designed via a conjunction of Lyapunov and passivity theories. The proposed controllers and the strategy are tested under realistic wind conditions, uncertain parameters, and strong voltage disturbances.
Facile and Effective Approach Enabling the Prediction of the Dispersibility of Toothpastes With Rheological Parameters
Authors: Kim Ji Young , Bak Seongwoo , Chung Brian , Ha Wonho , Jung Yongju
Published: November 2020

The fast release kinetics of active ingredients and sensory characteristics such as the texture, flavor, and foam during tooth brushing are strongly related to the dispersibility of toothpastes. To this day, no standard method has been established to measure dispersibility of toothpastes. In this study, we demonstrate that the dispersibility can be estimated from the rheological properties. We measured various rheological properties, such as the shear viscosity (both low and high), slope of viscosities, yield stress, phase angle, complex modulus, shear strain, and recovery ratio, for eight toothpaste products using a rotational rheometer, along with the fluid viscosity using a Brookfield viscometer. To investigate the influence of each parameter on the dispersibility of the toothpastes, we performed linear regression analysis and extracted the correlation coefficients. Phase angle and shear strain exhibited significantly high correlation with the dispersibility. However, the other rheological properties and fluid viscosity had an insignificant effect on the dispersibility. Hence, it is reasonable to claim that the phase angle and shear strain could be the key indicators to assess the dispersibility of toothpastes on the basis of linear equations extracted from the regression analysis. Furthermore, the relation between the fluoride (F−) release kinetics and the toothpaste dispersibility was investigated. The linear regression and correlation analyses showed that the fluoride release kinetics is highly correlated with the dispersibility even though the formulations of the tested toothpastes vary. This suggests that the two key rheological parameters, phase angle and shear strain, can be used for the relative evaluation of the fluoride release kinetics of toothpastes. We believe that our novel, indirect method to predict dispersibility can be widely applied for the quality assurance and quality control of toothpastes manufactured in the private sector. This is because the measurements of such parameters using a rotational rheometer are commonly practiced, rapid, and highly reproducible.
Impact of sleep quality on post‐stroke anxiety in stroke patients
Authors: Xiao Meijuan , Huang Guiqian , Feng Liang , Luan Xiaoqian , Wang Qiongzhang , Ren Wenwei , Chen Siyan , He Jincai
Published: November 2020

Objective

To explore whether poor sleep is associated with post‐stroke anxiety (PSA) in Chinese patients with acute ischemic stroke (AIS) and to verify whether poor sleep is a predictor of PSA.

Methods

A total of 327 patients with AIS were enrolled and followed up for 1 month. Sleep quality within 1 month before stroke was evaluated using the Pittsburgh Sleep Quality Index (PSQI) at admission. The patients were divided into the poor sleep group (PSQI > 7, n = 76) and good sleep group (PSQI ≤ 7, n = 251). One month after stroke, patients with obvious anxiety symptoms and a Hamilton Anxiety Scale score >7 were diagnosed with PSA.

Results

Eighty‐seven patients (26.6%) were diagnosed with PSA. Compared to the good sleep quality group, the incidence of PSA in patients with poor sleep quality was higher (42.1% vs. 21.9%, p = .001). Poor sleep quality is more common in patients with PSA (35.6% vs. 18.8%, p = .001). A logistic regression analysis indicated that poor sleep quality was significantly associated with PSA (OR: 2.265, 95% CI: 1.262–4.067, p = .003). After adjusting for conventional and identified risk factors, poor sleep quality was found to be independently associated with PSA (OR: 2.676, 95% CI: 1.451–4.936, p = .001).

Conclusions

Poor sleep quality before stroke was associated with PSA and may be an independent risk factor of PSA 1 month after AIS onset.
The impact of direct environmental, social, and governance reporting: Empirical evidence in European‐listed companies in the agri‐food sector
Authors: Conca Lavinia , Manta Francesco , Morrone Domenico , Toma Pierluigi
Published: November 2020

Companies are continuously pressured for the dissemination of environmental, social, and governance (ESG) information, because of the constant debate on the issue of corporate sustainability, considered a critical and very important topic for society; despite this pressure, ESG's disclosure practices vary considerably from company to company, both in quantity and quality. The study aims to address the issue and verify the effectiveness of ESG reporting through the influence that the ESG disclosure has on profitability and value of listed European agri‐food companies. The results obtained, studying a sample of 57 European‐listed companies (EU28) in the agri‐food sector observed in the period 2010–2018, show that the ESG disclosure practices of the companies impact corporate profitability; specifically, evidence is provided for the existence of a positive relationship between profitability and disclosure practices of strictly environmental and social information and a negative effect between company market value and disclosure practices relating to governance. These results suggest that greater transparency and accountability help to improve business profitability.
Toward a circular economy: Understanding consumers' moral stance on corporations' and individuals' responsibilities in creating a circular fashion economy
Authors: Ki Chung‐Wha (Chloe) , Park Sangsoo , Ha‐Brookshire Jung E.
Published: November 2020

For long, the fashion industry has adopted the linear economy's “take‐make‐use‐throwaway” system, an approach that has adverse side effects, such as economic loss, environmental destruction, and threats to human society. To address these adverse consequences from fashion's linear system, governments and business leaders are advocating the societal need for a shift from the linear economy to the circular economy, which endorses the “take‐make‐use‐reuse” system. Despite the growing demand for changing to a circular economy in the fashion business (circular fashion [CF]), two critical issues remain understudied in the current literature. First, although academic research on CF has increased in the past 5 years, the lack of scalable CF research has hindered the industry's ability to increase its adoption of a truly circular economy. Second, although the fashion industry faces complex challenges in instituting CF in that just one supply chain member's (a fashion retailer's) commitment is not sufficient to create a truly CF without the involvement of others (consumers), there is yet no empirical research that investigates whether consumers morally support the idea of a CF and feel obliged to take part in fashion businesses' CF offerings. Thus, we investigate whether and how morally grounded traits—corporate moral responsibility (H1+), consumer moral responsibility (H2+), their interaction effect (H3), and corporate hypocrisy (H4−)—influence consumers' attitudes and engagement (H5+) toward fashion corporations' CF offerings. Our empirical evidence, using a U.S. consumer survey dataset of 351 responses, shows that all of these hypotheses are supported. The results provide important theoretical and managerial implications.
New Insights into the Impact of Ecological Factor on Bioactivities and Phytochemical Composition of Paeonia veitchii
Authors: Yuan Meng , Yan Zhen‐Guo , Sun Dao‐Yang , Luo Xiao‐Ning , Xie Li‐Hang , Li Meng‐Chen , Wang Shu , Shi Qian‐Qian , Zhang Yan‐Long
Published: November 2020

Paeonia veitchii has been widely distributed in China under different ecological types. Its roots contain diverse phytochemical constituents, which possess very high bioactivities. However, the influence of ecological factors on activities and ingredients of P. veitchii roots still remains unknown. The purpose of this research was to analyze the variation in bioactivities and phytochemical composition of P. veitchii roots upon exposure to various ecological factors. Seven P. veitchii populations collected from different regions in China were evaluated. The results of correlation analysis suggested that four major ecological factors, including average annual temperature, elevation, total potassium, and organic matter, had a strong correlation with the bioactivities of P. veitchii roots. Further, the major ecological factors were also highly correlated with the contents of naringin, gallic acid, benzoylpaeoniflorin, and paeoniflorin. The principal component analysis results supported four major metabolites as the main contributing ingredients. All populations were classified into three groups, G1, G2, and G3, through hierarchical cluster analysis. G1 showed more significant advantages in the above‐mentioned four ecological factors, four active ingredients, and bioactivities compared to the other two groups. P. veitchii roots growing at lower average annual temperature, high elevation, rich total potassium and organic matter in the soils were presumed to have relatively higher bioactivities. These data expand the study on the bioactivities and phytochemical composition of P. veitchii roots and have a guiding significance for the ecological factor selection during the cultivation process of this herbaceous peony species.
Osteogenic differentiation potential of human bone marrow‐derived mesenchymal stem cells enhanced by bacoside‐A
Authors: Ramesh Thiyagarajan
Published: November 2020

Stem cell therapy is growing rapidly to treat numerous diseases including bone‐associated diseases. Mesenchymal stem cells (MSCs) are most commonly preferred to treat bone diseases because it possesses high osteogenic potency. Though, to obtain maximum osteogenic efficiency of MSCs is challenging. Therefore, this study was planned to evaluate the osteogenic efficiency of human bone marrow derived mesenchymal stem cells (hBMSCs) by bacoside‐A. This study was investigated the activity of alkaline phosphatase (ALP) and expressions of the genes specific to osteogenic regulation mainly runt‐related transcription factor 2 (Runx2), osterix (Osx), osteocalcin (OCN) and collagen type Iα1 (Col I α1) in hBMSCs cultured under osteogenic conditions at different concentrations of bacoside‐A for 14 days. The results of this study depicted significant upregulation in the activity of ALP and expressions of osteogenic regulator genes in bacoside‐A treated cells when compared with control cells. Besides, expressions of glycogen synthase kinase‐3β (GSK‐3β) and Wnt/β‐catenin were evaluated; these expressions were also significantly increased in bacoside‐A treated cells when compared with control cells. This result provides a further supporting evidence of bacoside‐A role on osteogenesis in hBMSCs. The present study suggest that bacoside‐A will be applied to ameliorate the process of osteogenesis in hBMSCs to repair damaged bone structure during MSC‐based therapy; this will be an excellent and auspicious treatment for bone‐associated disorders including osteoporosis.

Significance of the study

Osteoporosis is a bone metabolic disorder characterized by an imbalance between the activity of osteoblastic bone formation and osteoclastic bone resorption that disrupts the bone microarchitecture. Current anti‐osteoporotic drugs are inhibiting bone resorption, but they are unable to restore the bone structure due to extreme bone remodelling process and causes numerous side effects. The finding of natural bioactive compounds with osteogenic property is very essential for osteoporosis treatment. This study was reported that bacoside‐A ameliorated osteogenic differentiation of hBMSCs through upregulation of osteogenic differentiation genes and Wnt/β‐catenin signalling pathway. This result is indicating that bacoside‐A may be useful for osteoporosis treatments.
Millisecond Allosteric Dynamics of Activated Ras Reproduced with a Slowly Hydrolyzable GTP Analogue
Authors: Chen Xiaomin , Gao Hexuan , Long Dong
Published: November 2020

The millisecond timescale dynamics of activated Ras transiently sample a low‐populated conformational state that has distinct surface property from the major state and represents a promising target for binding of small‐molecule compounds. To avoid the complications of hydrolysis, dynamics and other properties of active Ras have so far been routinely investigated by using non‐hydrolyzable GTP analogues, which, however, were previously reported to alter both the kinetics and distribution of the conformational exchange. In this study, we quantitatively measured and validated the internal dynamics of Ras complexed with a slowly hydrolyzable GTP analogue, GTPγS, which increases the lifetime of active Ras by 23 times relative to that of native GTP. It was found that GTPγS, in addition to its better mimicking of the exchange kinetics than the commonly used non‐hydrolyzable analogues GppNHp and GppCH2p, can rigorously reproduce the natural dynamics network in active Ras, thus indicating its fitness for use in the development of allosteric inhibitors.
The novel function of miR‐3195 for mutant PROK2 (c.223‐4C>A) degradation
Authors: Zhou Shasha , Li Pin
Published: November 2020

Kallmann syndrome (KS) is a rare human genetic disorder characterized by hypogonadotropic hypogonadism with the reduction or absence of olfactory sense. Mutations in multiple genes, including chemokine prokineticin‐2 (PROK2), are considered to contribute to the abnormal migration of gonadotropin‐releasing hormone neurons in the embryonic stage. However, the mechanisms of the different inheritance modes of KS have not been comprehensively determined. In this article, we present the case of one KS patient with the same mutation in PROK2 (c.223‐4C>A) as his mother. RNA sequencing analysis of his leukocytes showed a new transcript of PROK2, which contained a partial intron (192 bp) compared to those of his parents. Furthermore, we observed that hsa‐miR‐3195 was expressed at low levels in his and his father's sera compared to his mother's. Unexpectedly, hsa‐miR‐3195 was also identified to specifically target the 192 bp intron of the aberrant PROK2 transcript of this patient. We determined that high expression of hsa‐miR‐3195 could efficiently target aberrant PROK2 and stabilize the normal function of PROK2 in vitro, which provided a probable explanation for the different phenotypes of the patient and his mother with the same genotype.
Ectophosphatase activity in the triple‐negative breast cancer cell line MDA‐MB‐231
Authors: Lacerda‐Abreu Marco A. , Russo‐Abrahão Thais , Leite Tenório Aguiar Raíssa , Monteiro Robson de Queiroz , Rumjanek Franklin D. , Meyer‐Fernandes José R.
Published: November 2020

Breast cancer is one of the most common cancers in the female population worldwide, and its development is thought to be associated with genetic mutations that lead to uncontrolled and accelerated growth of breast cells. This abnormal behavior requires extra energy, and indeed, tumor cells display a rewired energy metabolism compared to normal breast cells. Inorganic phosphate (Pi) is a glycolytic substrate of glyceraldehyde‐3‐phosphate dehydrogenase and has an important role in cancer cell proliferation. For cells to obtain Pi, ectoenzymes in the plasma membrane with their catalytic site facing the extracellular environment can hydrolyze phosphorylated molecules, and this is an initial and possibly limiting step for the uptake of Pi by carriers that behave as adjuvants in the process of energy harvesting and thus partially contributes to tumor energy requirements. In this study, the activity of an ectophosphatase in MDA‐MB‐231 cells was biochemically characterized, and the results showed that the activity of this enzyme was higher in the acidic pH range and that the enzyme had a Km = 4.5 ± 0.5 mM para‐nitrophenylphosphate and a Vmax = 2280 ± 158 nM × h−1 × mg protein−1. In addition, classical acid phosphatase inhibitors, including sodium orthovanadate, decreased enzymatic activity. Sodium orthovanadate was able to inhibit ectophosphatase activity while also inhibiting cell proliferation, adhesion, and migration, which are important processes in tumor progression, especially in metastatic breast cancer MDA‐MB‐231 cells that have higher ectophosphatase activity than MCF‐7 and MCF‐10 breast cells.
Angioimmunoblastic T‐cell lymphoma after acute myeloid leukemia: Alleged common pathogenesis. A case report and literature review
Authors: Iturrate Isabel , Loscertales Javier , Fernández‐Ruiz Elena , Muñoz Patricia , López Consuelo , del Campo Luciana , Muñoz Cecilia , Alegre Adrián
Published: November 2020

The genomic landscape of AITL is characterized by mutation of epigenetic modifiers. This gene expression pattern resembles myeloid diseases and shows a potential role for hypomethylating agents as possible therapy for AITL.
A 7‐week‐old male Golden Retriever with extreme leukocytosis: A case report
Authors: Bingham Emily , Conner Bobbi , Stern Jere , Vitalo Amber , Schaer Michael
Published: November 2020

Although neoplasia should be a top concern for extreme leukocytosis in dogs, infectious causes must also be considered to avoid delays in treatment or undue recommendations for humane euthanasia. Blood film review is of paramount importance.
Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects
Authors: Kobayashi Takeshi , Kraus Hamzeh , Hansen Niels , Fyta Maria
Published: November 2020

A modeling approach for atomic‐resolution studies of sup‐ ported ionic liquid phase (SILP) catalytic systems in silica mesoporous confinement with surface hydroxyl and functional groups is proposed. First, a force field for the Ru‐based catalyst is developed. Second, its solvation behavior within a bulk two‐phase system of heptane and an IL is studied. Third, static and dynamic properties of the confined system are investigated. Using classical molecular dynamics simulations, experimentally inaccessible properties can thus be studied that are important for an optimization of a SILP system for performing a ring‐closing metathesis reaction.
Understanding the Deactivation Pathways of Iridium(III) Pyridine‐Carboxiamide Catalysts for Formic Acid Dehydrogenation
Authors: Menendez Rodriguez Gabriel , Zaccaria Francesco , Tensi Leonardo , Zuccaccia Cristiano , Belanzoni Paola , Macchioni Alceo
Published: November 2020

The degradation pathways of highly active [Cp*Ir(κ2‐N,N‐R‐pica)Cl] catalysts (pica=picolinamidate; 1 R=H, 2 R=Me) for formic acid (FA) dehydrogenation were investigated by NMR spectroscopy and DFT calculations. Under acidic conditions (1 equiv. of HNO3), 2 undergoes partial protonation of the amide moiety, inducing rapid κ2‐N,N to κ2‐N,O ligand isomerization. Consistently, DFT modeling on the simpler complex 1 showed that the κ2‐N,N key intermediate of FA dehydrogenation (INH), bearing a N‐protonated pica, can easily transform into the κ2‐N,O analogue (INH2; ΔG≠≈11 kcal mol−1, ΔG ≈−5 kcal mol−1). Intramolecular hydrogen liberation from INH2 is predicted to be rather prohibitive (ΔG≠≈26 kcal mol−1, ΔG≈23 kcal mol−1), indicating that FA dehydrogenation should involve mostly κ2‐N,N intermediates, at least at relatively high pH. Under FA dehydrogenation conditions, 2 was progressively consumed, and the vast majority of the Ir centers (58 %) were eventually found in the form of Cp*‐complexes with a pyridine‐amine ligand. This likely derived from hydrogenation of the pyridine‐carboxiamide via a hemiaminal intermediate, which could also be detected. Clear evidence for ligand hydrogenation being the main degradation pathway also for 1 was obtained, as further confirmed by spectroscopic and catalytic tests on the independently synthesized degradation product 1 c. DFT calculations confirmed that this side reaction is kinetically and thermodynamically accessible.
Visible‐Light‐Promoted Formation of C—C and C—P Bonds Derived from Evolution of Bromoalkynes under Additive‐Free Conditions: Synthesis of 1,1‐Dibromo‐1‐en‐3‐ynes and Alkynylphosphine Oxides
Authors: Xu Hailong , Chen Rui , Ruan Hongjie , Ye Ruyi , Meng Ling‐Guo
Published: November 2020

Main observation and conclusion

The controllable achievement of C—C and C—P bond formations is developed via visible‐light‐promoted bromoalkyne dimerization or its further transformation with secondary phosphine oxides. The 1,1‐dibromo‐1‐en‐3‐ynes are formed when bromoalkyne is exposed to visible‐light. While alkynylphosphine oxides are generated when bromoalkynes are mixed with secondary phosphine oxides.
The impact of serum concentration‐guided digoxin therapy on mortality of heart failure patients: A long‐term follow‐up, propensity‐matched cohort study
Authors: Muk Balázs , Vámos Máté , Bógyi Péter , Szabó Barna , Dékány Miklós , Vágány Dénes , Majoros Zsuzsanna , Borsányi Tünde , Duray Gábor Zoltán , Kiss Róbert Gábor , Nyolczas Noémi
Published: November 2020

Background

Recently published studies suggested that digoxin may increase mortality in heart failure with reduced ejection fraction (HFrEF). However, in the vast majority of former trials serum digoxin concentration (SDC) was not measured and therapy was not SDC‐guided.

Aim

To assess the impact of SDC‐guided digoxin therapy on mortality in HFrEF patients.

Methods

Data of 580 HFrEF patients were retrospectively analyzed. In patients on digoxin, SDC was measured every 3 months and digoxin dosage was SDC‐guided (target SDC: 0.5‐0.9 ng/mL). All‐cause mortality of digoxin users and nonusers was compared after propensity score matching (PSM).

Results

After 7.1 ± 4.7 years follow‐up period (FUP) all‐cause mortality of digoxin users (n = 180) was significantly higher than nonusers (n = 297) (propensity‐adjusted HR = 1.430; 95% CI = 1.134‐1.804; P = .003). Patients having SDC of 0.9 to 1.1 ng/mL (n = 60) or > 1.1 ng/mL (n = 44) at any time during the FUP had an increased risk of all‐cause mortality (HR = 1.750; 95% CI = 1.257‐2.436, P = .001 and HR = 1.687; 95% CI = 1.153‐2.466, P = .007), while patients having a maximal SDC < 0.9 ng/mL (n = 76) had similar mortality risk (HR = 1.139; 95% CI = 0.827‐1.570, P = .426), compared to digoxin nonusers.

Conclusions

According to our propensity‐matched analysis, SDC‐guided digoxin therapy was associated with increased all‐cause mortality in optimally treated HFrEF patients, especially with SDC ≥0.9 ng/mL. These results reinforce the expert opinion that digoxin in HFrEF can only be used among carefully selected patients with close SDC monitoring.
Hybrid Quinazoline 1,3,5‐Triazines as Epidermal Growth Factor Receptor (EGFR) Inhibitors with Anticancer Activity: Design, Synthesis, and Computational Study
Authors: Pathak Prateek , Rimac Hrvoje , Grishina Maria , Verma Amita , Potemkin Vladimir
Published: November 2020

We report a series of hybrid quinazoline‐1,3,5‐triazine derivatives as EGFR inhibitors, which were synthesised and tested by using a variety of in vitro, in silico, and in vivo techniques. The derivatives were found to be active against different cancer cell lines and nontoxic against normal ones, with compounds 7 c, 7 d, 7 e, and 7 j being the most potent ones. The derivatives were also evaluated for angiogenesis inhibition potency in chicken eggs, and molecular docking and dynamics simulation studies were carried out to elucidate the fundamental substituent groups essential for their bioactivity. Additionally, a SAR study of the derivatives was performed for future compound optimisation. These studies suggested that the derivatives have a high affinity towards EGFR with favourable pharmacological properties. The most active compound (7 e) was further evaluated for in vivo anticancer activity against DMBA‐induced tumours in female Sprague‐Dawley rats as well as its effects on plasma antioxidant status, biotransformation enzymes, and lipid profile. The study suggested that 7 e has lead properties against breast cancer and can serve as a starting compound for further development of anti‐EGFR compounds.
Long‐term survival of patients with relapsed/refractory acute lymphoblastic leukemia treated with blinatumomab
Authors: Topp Max S. , Gökbuget Nicola , Zugmaier Gerhard , Stein Anthony S. , Dombret Hervé , Chen Yuqi , Ribera Josep‐Maria , Bargou Ralf C. , Horst Heinz‐August , Kantarjian Hagop M.
Published: November 2020

Background

Blinatumomab is a CD19 BiTE (bispecific T‐cell engager) immuno‐oncology therapy that mediates the lysis of cells expressing CD19.

Methods

A pooled analysis of long‐term follow‐up data from 2 phase 2 studies that evaluated blinatumomab in heavily pretreated adults with Philadelphia chromosome–negative, relapsed/refractory B‐cell precursor acute lymphoblastic leukemia was conducted.

Results

A total of 259 patients were included in the analysis. The median overall survival (OS) among all patients, regardless of response, was 7.5 months (95% confidence interval [CI], 5.5‐8.5 months); the median follow‐up time for OS was 36.0 months (range, 0.3‐60.8 months). The median relapse‐free survival (RFS) among patients who achieved a complete remission (CR) or complete remission with partial hematologic recovery (CRh) in the first 2 cycles (n = 123) was 7.7 months (95% CI, 6.2‐10.0 months); the median follow‐up time for RFS was 35.0 months (range, 9.5‐59.5 months). OS and RFS plateaued with 3‐year rates of 17.7% and 23.4%, respectively. The cumulative incidence function of the time to relapse, with death not due to relapse considered a competing risk, for patients who achieved a CR/CRh within 2 cycles of treatment also plateaued with a 3‐year relapse rate of 59.3%. For patients who achieved a CR/CRh with blinatumomab followed by allogeneic hematopoietic stem cell transplantation while in continuous CR, the median OS was 18.1 months (95% CI, 10.3‐30.0 months) with a 3‐year survival rate of 37.2%.

Conclusions

These data suggest that long‐term survival is possible after blinatumomab therapy.

Lay Summary

Immuno‐oncology therapies such as blinatumomab activate the patient's own immune system to kill cancer cells.

This study combined follow‐up data from 2 blinatumomab‐related clinical trials to evaluate long‐term survival in patients with relapsed and/or refractory B‐cell precursor acute lymphoblastic leukemia at high risk for unfavorable outcomes.

Among patients who achieved a deep response with blinatumomab, one‐third lived 3 years or longer. These findings suggest that long‐term survival is possible after treatment with blinatumomab.
Energy Relay Enhances Switching Efficiency in a Dendrimer–Azobenzene Supramolecular Assembly with an Anion–π Motif
Authors: Rahaman Sk. Atiur , Sahid Hossain Munshi , Hatai Joydev , Bandyopadhyay Subhajit
Published: November 2020

Transformation of light energy into chemical energy through supramolecular assemblies is a major pathway for energy harvesting in natural systems. An anionic azobenzene photoswitch assembled with a light‐absorbing dendrimer via non‐covalent interactions such as anion‐π motifs transfer the absorbed light to the bound photoswitch. The energy transfer was used fortrans→cisphotoisomerization of the photoswitchable system. The photoisomerization rate in the dendrimer−azobenzene assembly was found to be faster compared to the azobenzene itself.
Theoretical Study on Singlet Fission Dynamics in Pentacene Ring‐Shaped Aggregate Models with Different Configurations
Authors: Miyamoto Hajime , Nakano Masayoshi
Published: November 2020

The front cover artwork is provided by the Nakano group at the Graduate School of Engineering Science, Osaka University (Japan). The image shows the singlet fission (SF) of pentacene J‐ and H‐ring‐shaped aggregates. Their SF rates exhibit mutually different size dependences, which are explained by relative relaxation factor and point group symmetry analysis. Read the full text of the Article at 10.1002/cptc.2020000089.
Performance of Ventana SP263 PD‐L1 assay in endobronchial ultrasound guided‐fine‐needle aspiration derived non‐small‐cell lung carcinoma samples
Authors: Chauhan Aastha , Siegel Lianne , Freese Rebecca , Racila Emilian , Stewart Jimmie , Amin Khalid
Published: November 2020

Background

Introduction of programmed death‐ligand 1 (PD‐L1) inhibitors has significantly changed the treatment landscape of non‐small‐cell lung carcinomas (NSCLC). Since endobronchial ultrasound guided fine‐needle aspiration (EBUS FNA) has become the primary diagnostic and staging modality for NSCLC, this study was pursued to determine the adequacy of Ventana SP263 PD‐L1 assay in cytology cell blocks.

Design

Fifty NSCLC cases with cytology and corresponding histology specimens obtained between 2014 and 2018 were identified. After assessing for adequacy (100 or more tumor cells), forty cases were selected for Ventana SP263 PD‐L1 immunohistochemistry (IHC) assay and assessed for tumor proportion scores (TPS) and staining intensity scores (SIS) and analyzed for concordance.

Results

Of the 40 matched pairs 33 (82.5%) showed concordant PD‐L1 expression. On cytology, 32 cases were positive (8 high‐expressors and 24 low‐expressors) of which 27 were concordant and 5 discordant with matched histology specimens. On histology, 29 cases were positive (7 high‐expressor and 22 low‐expressors) while 11 cases were negative for PD‐L1 expression of which 6 had concordant negative cytology. The intraclass correlation coefficients (ICC) for TPS was 0.81 with 95% confidence interval (0.68, 0.9) and for the SIS, it was 0.78 with 95% CI (0.62, 0.88), both considered as having excellent agreement.

Conclusion

With an overall concordance rate of 82.5% between cytology and histology specimen, this study demonstrates the feasibility of PD‐L1 IHC with SP263 clone on cytology samples of NSCLC and adds to a growing body of evidence validating the use of cytology cell blocks for PD‐L1 expression testing.
Where’s wallaby? Using public records and media reports to describe the status of red‐necked wallabies in Britain
Authors: English Holly M. , Caravaggi Anthony
Published: November 2020

Investigating the range and population dynamics of introduced species provides insight into species behavior, habitat preferences, and potential of becoming established. Here, we show the current population status of the red‐necked wallaby (Notamacropus rufogriseus) in Britain based on records from an eleven‐year period (2008–2018). Records were obtained from Local Environmental Records Centres (LERCs), the National Biodiversity Network (NBN), and popular media. All records were mapped and compared to a historical distribution map (1940–2007), derived from published data. A total of 95 confirmed wallaby sightings were recorded between 2008 and 2018, of which 64 came from media sources, 18 from Local Environmental Records Centres (LERCs), seven from the National Biodiversity Network (NBN), and six from the published literature (Yalden, Br. Wildl., 24, 2013, 169). The greatest density of wallaby sightings was in southern England, with the Chiltern Hills Area of Outstanding Natural Beauty a particular hot spot (n = 11). More sightings were recorded in August than in any other month. Much of the species’ ecology and responses to British biota and anthropogenic pressures are unknown, and therefore, further research is warranted. The methods used here are widely applicable to other non‐native species, particularly those that the public are more likely to report and could be an important supplement to existing studies of conservation and management relevance.
A test for meiotic drive in hybrids between Australian and Timor zebra finches
Authors: Knief Ulrich , Forstmeier Wolfgang , Pei Yifan , Wolf Jochen , Kempenaers Bart
Published: November 2020

Meiotic drivers have been proposed as a potent evolutionary force underlying genetic and phenotypic variation, genome structure, and also speciation. Due to their strong selective advantage, they are expected to rapidly spread through a population despite potentially detrimental effects on organismal fitness. Once fixed, autosomal drivers are cryptic within populations and only become visible in between‐population crosses lacking the driver or corresponding suppressor. However, the assumed ubiquity of meiotic drivers has rarely been assessed in crosses between populations or species. Here we test for meiotic drive in hybrid embryos and offspring of Timor and Australian zebra finches—subspecies that have evolved in isolation for about two million years—using 38,541 informative transmissions of 56 markers linked to either centromeres or distal chromosome ends. We did not find evidence for meiotic driver loci on specific chromosomes. However, we observed a weak overall transmission bias toward Timor alleles at centromeres in females (transmission probability of Australian alleles of 47%, nominalp = 6 × 10–5). While this is in line with the centromere drive theory, it goes against the expectation that the subspecies with the larger effective population size (i.e., the Australian zebra finch) should have evolved the more potent meiotic drivers. We thus caution against interpreting our finding as definite evidence for centromeric drive. Yet, weak centromeric meiotic drivers may be more common than generally anticipated and we encourage further studies that are designed to detect also small effect meiotic drivers.
Pathophysiological role of fatty acid‐binding protein 4 in Asian patients with heart failure and preserved ejection fraction
Authors: Harada Tomonari , Sunaga Hiroaki , Sorimachi Hidemi , Yoshida Kuniko , Kato Toshimitsu , Kurosawa Koji , Nagasaka Takashi , Koitabashi Norimichi , Iso Tatsuya , Kurabayashi Masahiko , Obokata Masaru
Published: November 2020

Aims

Systemic metabolic impairment is the key pathophysiology of heart failure (HF) with preserved ejection fraction (HFpEF). Fatty acid‐binding protein 4 (FABP4) is highly expressed in adipocytes and secreted in response to lipolytic signals. We hypothesized that circulating FABP4 levels would be elevated in patients with HFpEF, would correlate with cardiac structural and functional abnormalities, and could predict clinical outcomes.

Methods and results

Serum FABP4 measurements and echocardiography were performed in patients with HFpEF (n = 92) and those with coronary artery disease free of HF (n = 20). Patients were prospectively followed‐up for a composite endpoint of all‐cause mortality or HF hospitalization. Compared with patients with coronary artery disease, those with HFpEF had higher FABP4 levels [12.5 (9.1–21.0) vs. 43.5 (24.6–77.4) ng/mL, P < 0.0001]. FABP4 levels were associated with cardiac remodelling (left ventricular mass index: r = 0.29, P = 0.002; left atrial volume index: r = 0.40, P < 0.0001), left ventricular systolic and diastolic dysfunction (global longitudinal strain: r = −0.24, P = 0.01; E/e′ ratio: r = 0.29, P = 0.002; and N‐terminal pro‐B‐type natriuretic peptide: r = 0.62, P < 0.0001), and right ventricular dysfunction (tricuspid annular plane systolic excursion: r = −0.43, P < 0.0001). During a median follow‐up of 9.1 months, there were 28 primary endpoints in the HFpEF cohort. Event‐free survival was significantly decreased in patients with FABP4 levels ≥43.5 ng/mL than in those with FABP4 levels <43.5 ng/mL (P = 0.003).

Conclusions

Serum FABP4 levels were increased in HFpEF and were associated with cardiac remodelling and dysfunction, and poor outcomes. Thus, FABP4 could be a potential biomarker in the complex pathophysiology of HFpEF.
High Capacity and Rate Capability Binder‐less Ternary Transition Metal‐organic Framework as Anode Material for Lithium‐ion Battery
Authors: Mohd Zain Nurul Khairiyyah , Karuppiah Chelladurai , Misnon Izan Izwan , Das Santanu , Ikechukwu Ozoemena Kenneth , Yang Chun‐Chen , Jose Rajan
Published: November 2020

A novel metal‐organic framework (MOF) composition containing three cations (CoCuNi−MOF) grown directly on nickel foam substrate has been evaluated for its use as an anode material for lithium ion batteries (LIB) and benchmarked the performance with its single cation MOF counterparts. Equimolar concentrations of cobalt, copper, and nickel and 1,4‐benzenedicarboxylic acid are used as metal centers and organic linker, respectively, for synthesis of CoCuNi−MOF. The morphology, chemical structure, and electrochemical properties of the materials are studied and analyzed for their suitability for lithium ion storage. The cyclability performance of CoCuNi−MOF exhibit good behavior with retaining ∼490 (±3) and ∼396 (±3) mA⋅h⋅g−1 at ∼200 and ∼500 mA⋅g−1, respectively. During rate capability evaluation, CoCuNi−MOF proved to be the best material compared to its single component MOF: CoCuNi−MOF retained an average capacity of ∼565 (±3) mA⋅h⋅g−1 at current density as high as 1000 mA⋅g−1. The positive attributes of CoCuNi−MOF are shown to arise from the synergistic effect of the three transition metals. The output from this work is expected to provide useful insight into the design of new MOFs electrode for LIBs with high specific capacity and improved cycle stability.