bluuebunny/crossref_metadata_2025 huggingface dataset:
Exploring Phase Stability and Properties of I‐II2‐III‐VI4 Quaternary Chalcogenides
Authors: Shi Wencong , Khabibullin Artem R. , Woods Lilia M.
Published: May 2020

A recently discovered class of quaternary chalcogenides with the I‐II2‐III‐VI4 (I = Cu, Ag; II = Zn, Cd; III = Al, Ga, In; VI = S, Se, Te) chemical formula is considered using electronic structure calculations. Through cross‐cation substitution and maintaining the octet rule, these materials can be obtained from the simpler II‐VI zinc blende systems giving five possible structural phases; stannite, kesterite, primitive mixed CuAu, wurtzite‐stannite, and wurtzite‐kesterite. Here, 36 possible chemical compositions are calculated within these phases and the most stable structure is found for each material. By analyzing the lattice parameters, energy band structures, and other characteristics, different property trends of this new class of materials are presented. The electronic properties show that these materials can exhibit semiconductor to semimetal behavior depending on the phase and chemical compositions. Comparisons with other materials from the related I2‐II‐IV‐VI4 systems, which are widely explored, allow for further fundamental knowledge of chalcogenide systems to be built and for the exploration of their suitability for practical applications.
Probing Coulomb Interactions on Charge Transport in Few‐Layer Organic Crystalline Semiconductors by the Gated van der Pauw Method
Authors: Jiang Sai , Qian Jun , Wang Qijing , Duan Yiwei , Guo Jianhang , Zhang Bowen , Sun Huabin , Wang Xinran , Liu Chuan , Shi Yi , Li Yun
Published: May 2020

A general understanding of the nature of the charge motions at the organic/dielectric interface requires an accurate examination on the influence from the Coulomb interactions among carriers. However, difficulties on this substantial issue are due to complicated interpretation and extraction of the intrinsic electrical parameters for the organic films. Here, the carrier transport in highly ordered, few‐layer organic crystalline semiconductors is studied by a geometry‐independent gated van der Pauw method, confining the charge carrier distribution at the precision of molecular layers and minimizing the effects of extrinsic factors. The characteristics of carrier transport are varied in different film layers and show nonideal features. The Fröhlich polaron model well explains the features and suggests that the Coulomb interactions among carriers should be considered at a high carrier density, which is manifested by the characteristic parameter 〈ξ 〉/2 measuring the extra potential for polaron transport. This understanding of the physical process between Coulomb interactions and polaron transport in organic crystalline semiconductors can enable promising strategies for achieving more ideal transistor performance and new device physics.
Visualization of Light Elements using 4D STEM: The Layered‐to‐Rock Salt Phase Transition in LiNiO2 Cathode Material
Authors: Ahmed Shamail , Bianchini Matteo , Pokle Anuj , Munde Manveer Singh , Hartmann Pascal , Brezesinski Torsten , Beyer Andreas , Janek Jürgen , Volz Kerstin
Published: May 2020

The layered oxide LiNiO2 (LNO) has been extensively investigated as a cathode active material for lithium‐ion batteries. Despite LNO's high gravimetric capacity, instability issues hinder its commercialization. It suffers from capacity loss during electrochemical cycling and is difficult to synthesize without defects. This is related to poor structural stability, leading to decomposition into the parent rock‐salt‐type oxide. In order to understand such phase transformations and to develop measures to inhibit them, the development of techniques able to image all atoms is crucial. In this study, the use of a fast, pixelated detector and 4D imaging in scanning transmission electron microscopy are explored to tackle this challenge. Selecting specific angular regions in the diffraction patterns and calculating virtual annular bright‐field images significantly enhances the contrast of the lithium atoms, such that all atoms are visible even in realistic samples. The developed technique is applied to image the layered‐to‐rock salt phase transition region. The data show that in this region, nickel atoms are in tetrahedral positions and the oxygen atoms are asymmetrically distributed. Taken together, the results shed light on the phase transformation mechanism at the atomic scale and can guide future research toward stabilizing LNO.
Surgical management of achalasia
Authors: Nurczyk Kamil , Patti Marco G.
Published: May 2020

Esophageal achalasia is a primary esophageal motility disorder characterized by lack of peristalsis and by incomplete or absent relaxation of the lower esophageal sphincter in response to swallowing. The cause of the disease is unknown. The goal of treatment is to eliminate the functional outflow obstruction at the level of the gastroesophageal junction, therefore allowing emptying of the esophagus into the stomach. They include the laparoscopic Heller myotomy with partial fundoplication, pneumatic dilatation, and peroral endoscopic myotomy. Esophagectomy is considered as a last resort for patients who have failed prior therapeutic attempts. In this evidence and experience‐based review, we will illustrate the technique and results of the surgical treatment of esophageal achalasia and compare it to the other available treatment modalities.
The dependence of evaporation and crystallization kinetics on dynamic and thermal background
Authors: Misyura Sergey
Published: May 2020

In technical problems there is often the need to simultaneously describe both non‐stationary evaporation and non‐stationary crystallization of droplets and films. Poor wettability of the wall and high heat fluxes lead to the film rupture and the formation of pools, dry spots, droplets. To date, there are no well‐developed methods for calculating crystallization and evaporation in the presence of the factors. Evaporation and crystallization of a drop are shown to fundamentally differ from those of a thin layer. The rate of evaporation prior to crystallization controls the crystallization kinetics. The evaporation and crystallization rates for the film (under identical conditions) are significantly higher than for the drop. The difference in the thickness of the diffusion and dynamic boundary layers affects the evaporation rate of an aquatic salt solution. For correct simulation of evaporation, it is necessary to take into account the thicknesses of the thermal, diffusion and concentration boundary layers.
Impact of detectable measurable residual disease on umbilical cord blood transplantation
Authors: Baron Frédéric , Labopin Myriam , Ruggeri Annalisa , Sierra Jorge , Robinson Stephen , Labussière‐Wallet Hélène , Potter Michael , Ribera Josep‐Maria , Deconinck Eric , Rambaldi Alessandro , Rohrlich Pierre‐Simon , de Revel Thierry , Gluckman Eliane , Nagler Arnon , Mohty Mohamad
Published: May 2020

The impact of measurable residual disease (MRD) on cord blood transplantation (CBT) outcomes has remained debated. To address this issue, we assessed the impact of measurable MRD at CBT on outcomes in large cohort of patients with acute leukemia. Inclusion criteria included adult patients with acute myeloid (AML) or acute lymphoblastic leukemia (ALL), CBT as first allo‐HCT in first or second complete remission (CR) at transplantation, and known MRD status at the time of CBT. Data from 506 patients were included in the analysis. Among them, 317 patients had AML and 189 had ALL. Positive MRD was reported in 169 (33%) patients while the remaining 337 patients were MRD negative at CBT. At 2 years, relapse incidence was 18% in patients with MRD negativity vs 33% in those with MRD positivity at transplantation (P < .001). Two‐year leukemia‐free survival (LFS) and overall survival (OS) were 57% and 60%, respectively, in MRD negative patients, vs 38% (P < .001) and 48% (P = .004), respectively, in those with MRD positivity. There was no interaction between the impact of MRD on OS and LFS and diagnosis (ie, ALL vs AML), single or double CBT, and reduced‐intensity or myeloablative conditioning. On multivariate analysis, MRD positivity was associated with a higher risk of relapse (HR = 1.8, P = .003), comparable non‐relapse mortality (P = .44), worse LFS (HR = 1.4, P = .008) and a trend towards worse OS (HR = 1.3, P = .065). In conclusion, these data suggest that novel strategies that are aiming to achieve MRD negativity at CBT are needed for leukemic patients with positive MRD pre‐CBT.
Fulminant myocarditis following recurrent generalized erythrokeratoderma in a child with a heterozygous GJA1 variant
Authors: Kobayashi Hironobu , Shiohama Tadashi , Nakashima Mitsuko , Saitsu Hirotomo , Suga Yasushi , Ebata Ryota , Shimojo Naoki
Published: May 2020

Pathogenic germline variants in the gap junction protein alpha 1 (GJA1) gene have been identified in several congenital disorders affecting cutaneous, skeletal, and cardiac tissues. Here, we describe a 12‐year‐old patient with a GJA1 c.113G>A, p.(Gly38Glu) variant, who presented with fulminant myocarditis following recurrent generalized erythrokeratoderma. His mother and younger sister had the same clinical manifestations with the same GJA1 variant, but did not have cardiac dysfunction. GJA1 variants have been reported in patients with congenital cardiac malformations, while acute myocarditis in GJA1‐related disorders has not been reported so far.
Parent perceptions, beliefs, and fears around genetic treatments and cures for children with Angelman syndrome
Authors: Adams Dawn , Roche Laura , Heussler Helen
Published: May 2020

Genetic therapies have shown recent promise in alleviating some of the cognitive issues associated with some genetic disorders; however, these therapies may come with significant health and socio‐ethical concerns, particularly when they involve child participants. Little is known about what parents of children with genetic disorders think about genetic therapies, or about their knowledge of how genetic‐based therapy might treat their child's symptoms. Forty‐two parents of children with Angelman syndrome (AS) and 27 parents of a mixed etiology comparison group completed an online survey reporting on their perceptions of, and priorities for, genetic therapy. Almost all parents of children with AS (95%) and the comparison group (89%) agreed that treatments aiming to reduce symptoms associated with their child's syndrome were positive. However, significantly more parents of children with AS (95%) than the comparison group (56%) felt that genetic treatment trials aiming to “cure” their child should be a research priority. AS parent priorities for the focus of clinical trials were neurology/seizures, communication skills, and motor skills/mobility. For the comparison group, the priorities were IQ, immune response, and expressive speech. Parents of both groups did not want treatments to change their child's personality or their happiness. Global assumptions cannot be made about targets for therapy between syndromes, about parental understanding of genetics, or about research evidence across syndromes. This study highlights the need for true family and patient engagement in all stages of the research design and treatment evaluation.
Transition‐Metal‐Free, Visible‐Light‐Mediated N‐acylation: An Efficient Route to Amides in Water
Authors: Xu Yiwen , Xu Xiuzhi , Wu Bin , Gan Chenling , Lin Xiaoyan , Wang Jin , Ke Fang
Published: May 2020

A visible‐light‐catalyzed radical N‐acylation of amines with carboxylic acids was achieved by means of eosin Y as the photocatalyst under aqueous medium without any transition‐metal‐based catalytic systems. The new method takes advantages of visible‐light photocatalysis to generate the amides under mild conditions. A variety of amides have been synthesized in good to excellent yields. Moreover, the strategy was successfully applied in the preparation of paracetamol.
Long noncoding RNA MAGI2‐AS3/miR‐218‐5p/GDPD5/SEC61A1 axis drives cellular proliferation and migration and confers cisplatin resistance in nasopharyngeal carcinoma
Authors: Cao Cheng , Zhou Shao , Hu Jiandao
Published: May 2020

Background

Nasopharyngeal carcinoma (NPC), a subclass of neck and head cancers, is the predominant cause of cancer‐associated death globally. LncRNA MAGI2‐AS3 has been previously reported to be associated with multiple cancers, but its molecular mechanism in NPC has not been fully explained. Hence, the purpose of this study is to identify the role and regulatory mechanism of MAGI2‐AS3 in NPC.

Methods

Reverse‐transcription quantitative polymerase chain reaction (RT‐qPCR) and Western blot (WB) were employed to examine gene levels. The biologic function of MAGI2‐AS3 in NPC was estimated by cell counting, EdU, Transwell, and WB assays. Luciferase reporter and radioimmunoprecipitation (RIP) assays were carried out to determine the combination between miR‐218‐5p and MAGI2‐AS3, GDPD5, and SEC61A1.

Results

MAGI2‐AS3 is expressed at a high level in NPC cell lines. Moreover, MAGI2‐AS3 knockdown‐suppressed NPC progression in vitro and in vivo. Furthermore, MAGI2‐AS3 functioned as a competing endogenous RNA (ceRNA) by sponging miR‐218‐5p to increase the expression of GDPD5 in NPC. Importantly, it was found that MAGI2‐AS3 regulated NPC progression and cisplatin resistance via modulating GDPD5. In addition, MAGI2‐AS3 could also promote the proliferation and migration in NPC cells by regulating SEC61A1.

Conclusion

MAGI2‐AS3/miR‐218‐5p/GDPD5/SEC61A1 axis drove cell proliferation, migration, and epithelial‐mesenchymal transition, and conferred cisplatin resistance in NPC, which may provide a novel insight into the development of NPC.
Beyond Frameworks: Structuring Reticular Materials across Nano‐, Meso‐, and Bulk Regimes
Authors: Haase Frederik , Hirschle Patrick , Freund Ralph , Furukawa Shuhei , Ji Zhe , Wuttke Stefan
Published: May 2020

Reticular materials are of high interest for diverse applications, ranging from catalysis and separation to gas storage and drug delivery. These open, extended frameworks can be tailored to the intended application through crystal‐structure design. Implementing these materials in application settings, however, requires structuring beyond their lattices, to interface the functionality at the molecular level effectively with the macroscopic world. To overcome this barrier, efforts in expressing structural control across molecular, nano‐, meso‐, and bulk regimes is the essential next step. In this Review, we give an overview of recent advances in using self‐assembly as well as externally controlled tools to manufacture reticular materials over all the length scales. We predict that major research advances in deploying these two approaches will facilitate the use of reticular materials in addressing major needs of society.
Faceted Branched Nickel Nanoparticles with Tunable Branch Length for High‐Activity Electrocatalytic Oxidation of Biomass
Authors: Poerwoprajitno Agus R. , Gloag Lucy , Watt John , Cychy Steffen , Cheong Soshan , Kumar Priyank V. , Benedetti Tania M. , Deng Chen , Wu Kuang‐Hsu , Marjo Christopher E. , Huber Dale L. , Muhler Martin , Gooding J. Justin , Schuhmann Wolfgang , Wang Da‐Wei , Tilley Richard D.
Published: May 2020

Controlling the formation of nanosized branched nanoparticles with high uniformity is one of the major challenges in synthesizing nanocatalysts with improved activity and stability. Using a cubic‐core hexagonal‐branch mechanism to form highly monodisperse branched nanoparticles, we vary the length of the nickel branches. Lengthening the nickel branches, with their high coverage of active facets, is shown to improve activity for electrocatalytic oxidation of 5‐hydroxymethylfurfural (HMF), as an example for biomass conversion.
gem‐Diol‐Type Intermediate in the Activation of a Ketone on Sn‐β Zeolite as Studied by Solid‐State NMR Spectroscopy
Authors: Qi Guodong , Chu Yueying , Wang Qiang , Wang Xingxing , Li Yi , Trébosc Julien , Lafon Olivier , Xu Jun , Deng Feng
Published: May 2020

Lewis acid zeolites have found increasing application in the field of biomass conversion, in which the selective transformation of carbonyl‐containing molecules is of particular importance due to their relevance in organic synthesis. Mechanistic insight into the activation of carbonyl groups on Lewis acid sites is challenging and critical for the understanding of the catalytic process, which requires the identification of reaction intermediates. Here we report the observation of a stable surface gem‐diol‐type species in the activation of acetone on Sn‐β zeolite. 13C, 119Sn, and 13C–119Sn double‐resonance NMR spectroscopic studies demonstrate that only the open Sn site ((SiO)3Sn‐OH) on Sn‐β is responsible for the formation of the surface species. 13C MAS NMR experiments together with density functional theory calculations suggest that the gem‐diol‐type species exhibits high reactivity and can serve as an active intermediate in the Meerwein—Ponndorf–Verley–Oppenauer (MPVO) reaction of acetone with cyclohexanol. The gem‐diol‐type species offers an energy‐preferable pathway for the direct carbon‐to‐carbon hydrogen transfer between ketone and alcohol. The results provide new insights into the transformation of carbonyl‐containing molecules catalyzed by Lewis acid zeolites.
Novel flower‐like Sn–Cu and cactus‐like Sn–Ag nanocatalysts for photo catalytically removal of toxic pollutant
Authors: Mawlud Riyadh Zendin , Ahmed Sangar S. , Mortazavi‐Derazkola Sobhan , Amiri Omid , Salehi Zahra , Mahmood Peshawa H.
Published: May 2020

In this study, dendrite‐like Sn nanocomposites were achieved by engineering the synthesis parameters. The dendritic Sn nanostructures show higher photocatalytic activity compared to nanoplate Sn and hierarchical Sn nanostructures. Flower‐like Sn–Cu and cactus‐like Sn–Ag nanostructures were prepared to improve the photocatalytic activity of Sn nanostructures. Adding Cu and Ag improved the photocatalytic activity of Sn by 24% and 46%, respectively. The photodegradation results revealed that the cactus‐like Sn–Ag has a high degradation rate (5.3 × 10−4 mmol L−1 min−1) compared to the Sn nanostructures (2.9 × 10−4 mmol L−1 min−1). This work provides new insight into the design of highly efficient photocatalysts by engineering the morphology.
Toponyms from 3000 years ago? Implications for the history and structure of the Yolŋu social formation in north‐east Arnhem Land
Authors: MORPHY FRANCES , MORPHY HOWARD , FAULKNER PATRICK , BARBER MARCUS
Published: May 2020

The paper focuses on a set of toponyms found on the coast of Blue Mud Bay in northern Australia, in an area today occupied by Yolŋu (Murngin) peoples. In the first part of the paper, we present an analysis, based on geomorphological, archaeological, anthropological and linguistic evidence, to suggest that these toponyms have been in place for at least 3000 years, and that they are early Yolŋu toponyms. We then argue that certain social practices and cultural mechanisms, which continue today, work to form a complex, multi‐media and multi‐sensory archive of names‐in‐place, within the frame of a robust system of intergenerational transmission. It is plausible that such a system has considerable time‐depth. Yolŋu oral histories suggest, indeed, that Blue Mud Bay was the origin point from which Yolŋu‐Matha languages and Yolngu forms of kinship and governance then spread inland to the north, west and south.
Au Nanoparticles Modified with Pt, Ru and SnO2 as Electrocatalysts for Ethanol Oxidation Reaction in Acids
Authors: Siddharth Kumar , Xing Zelong , Xiao Fei , Zhu Shangqian , Zhang Lili , Pan Feng , Shao Minhua
Published: May 2020

The anodic reaction in direct ethanol fuel cells (DEFCs), ethanol oxidation reaction (EOR) faces challenges, such as incomplete electrooxidation of ethanol and high cost of the most efficient electrocatalyst, Pt in acidic media at low temperature. In this study, core‐shell electrocatalysts with an Au core and Pt‐based shell (Au@Pt) are developed. The Au core size and Pt shell thickness play an important role in the EOR activity. The Au size of 2.8 nm and one layer of Pt provide the most optimized performance, having 6 times higher peak current density in contrast to commercial Pt/C. SnO2 as a support also enhances the EOR activity of Au@Pt by 1.73 times. Further modifying the Pt shell with Ru atoms achieve the highest EOR current density that is 15 and 2.5 times of Pt/C and Au@Pt. Our results suggest the importance of surface modification in rational design of advanced electrocatalysts.
From Toddlerhood to Adolescence, Trajectories and Predictors of Outcome: Long‐Term Follow‐Up Study in Autism Spectrum Disorder
Authors: Zachor Ditza A. , Ben‐Itzchak Esther
Published: May 2020

This study is one of a very few prospective long‐term studies in autism spectrum disorder (ASD). The study compared outcome trajectories in three adolescent groups (T2): “best outcome” (BO, n = 11) did not meet cut‐off points for ASD and IQ scores ≥85; high functioning (HF‐ASD, n = 14); and lower functioning (LF‐ASD, n = 43). Additionally, the study searched for characteristics at toddlerhood (T1) that may predict belonging to the above groups. The study included 68 adolescents (63 males) diagnosed with ASD at toddlerhood (mean age: 13:10 years), mean follow‐up time was 11:7 years. Participants underwent comprehensive assessments at T1 and T2. Different trajectories were found for the three defined groups. The BO group improved significantly in cognitive ability, autism severity, and adaptive skills in comparison to no improvement for the LF‐ASD group or partial progress for the HF‐ASD group. At toddlerhood, better cognition and less severe autism social affect symptoms were generally associated with a better outcome. Early social behaviors including better “pointing,” “facial expression directed to others,” “showing,” and “response to joint attention” were associated with membership in the BO group. In addition, the BO group had the lowest prevalence of significant T2 inattention and anxiety symptoms. No significant differences between the three outcome groups were noted in the birth and prevalence of medical problems. Higher cognitive ability and better T1 showing and pointing behaviors predicted better outcome. The study points to the change in autism severity over time and to the prognostic value of early developmental abilities, social engagement behaviors, and the existence of comorbidities. Autism Res 2020, 13: 1130‐1143. © 2020 International Society for Autism Research and Wiley Periodicals LLC.

Lay Summary

This long‐term study compared characteristics of toddlers diagnosed with autism spectrum disorder (ASD) in three outcome groups in adolescence: best outcome (BO‐average IQ/not meeting criteria for ASD), high‐functioning ASD, and low‐functioning ASD (LF‐ASD). At toddlerhood, the BO group displayed less severe autism symptoms, mostly in sharing interests, compared to the LF‐ASD group. The BO group had fewer inattention and anxiety symptoms than the two ASD groups. Additionally, early cognitive level and social engagement behaviors predicted outcome in ASD.
A note on the interpretation of tree‐based regression models
Authors: Gottard Anna , Vannucci Giulia , Marchetti Giovanni Maria
Published: May 2020

Tree‐based models are a popular tool for predicting a response given a set of explanatory variables when the regression function is characterized by a certain degree of complexity. Sometimes, they are also used to identify important variables and for variable selection. We show that if the generating model contains chains of direct and indirect effects, then the typical variable importance measures suggest selecting as important mainly the background variables, which have a strong indirect effect, disregarding the variables that directly influence the response. This is attributable mainly to the variable choice in the first steps of the algorithm selecting the splitting variable and to the greedy nature of such search. This pitfall could be relevant when using tree‐based algorithms for understanding the underlying generating process, for population segmentation and for causal inference.
Crispr/Cas9‐mediated cleavages facilitate homologous recombination during genetic engineering of a large chromosomal region
Authors: Zhang Fan , Cheng De , Wang Shuwen , Zhu Jiyue
Published: May 2020

Homologous recombination over large genomic regions is difficult to achieve due to low efficiencies. Here, we report the successful engineering of a humanized mTert allele, hmTert, in the mouse genome by replacing an 18.1‐kb genomic region around the mTert gene with a recombinant fragment of over 45.5 kb, using homologous recombination facilitated by the Crispr/Cas9 technology, in mouse embryonic stem cells (mESCs). In our experiments, with DNA double‐strand breaks (DSBs) generated by Crispr/Cas9 system, the homologous recombination efficiency was up to 11% and 16% in two mESC lines TC1 and v6.5, respectively. Overall, we obtained a total of 27 mESC clones with heterozygous hmTert/mTert alleles and three clones with homozygous hmTert alleles. DSBs induced by Crispr/Cas9 cleavages also caused high rates of genomic DNA deletions and mutations at single‐guide RNA target sites. Our results indicated that the Crispr/Cas9 system significantly increased the efficiency of homologous recombination‐mediated gene editing over a large genomic region in mammalian cells, and also caused frequent mutations at unedited target sites. Overall, this strategy provides an efficient and feasible way for manipulating large chromosomal regions.
Method development and validation for simultaneous determination of ebastine and its active metabolite carebastine in human plasma by liquid chromatography–tandem mass spectrometry and its application to a clinical pharmacokinetic study in healthy Chinese volunteers
Authors: Phiri Margaret , Li Duo , Li Tengfei , Ji Shunli , Ling Tang , Li Xianjing , Gao Huaye , Ding Li , Shu Chang
Published: May 2020

A simple LC–tandem mass spectrometry (MS/MS) method to determine ebastine and carebastine (active metabolite) in human plasma was developed and validated. Analytes and internal standards were precipitated by protein precipitation and separated on Synergi Hydro‐RP 80A column (4 μm, 50 mm × 2.0 mm; Phenomenex) by gradient elution with mobile phase A comprising 0.1% formic acid in 5 mm ammonium acetate (NH4Ac) and B comprising 100% methanol at a flow rate 0.4 mL/min. Ions were detected in positive multiple reaction monitoring mode, and they exhibited linearity over concentration range 0.01–8.0 and 1.00–300 ng/mL for ebastine and carebastine, respectively. A clinical pharmacokinetic study was conducted in healthy Chinese volunteers under fasting and fed conditions after a single oral administration of 10 mg ebastine. The maximum plasma concentration (Cmax), time to Cmax (Tmax) and elimination half‐life for ebastine were 0.679 ± 0.762 ng/mL, 1.67 ± 1.43 h and 7.86 ± 6.18 h, respectively, whereas these for carebastine were 143 ± 68.4 ng/mL, 5.00 ± 2.00 h and 17.4 ± 4.97 h, respectively under fasting conditions; the corresponding values under fed conditions were 4.13 ± 2.53 ng/mL, 3.18 ± 1.09 h and 21.6 ± 7.77 h for ebastine and 176 ± 68.4 ng/mL, 6.14 ± 2.0 h and 20.0 ± 4.97 h for carebastine.
LC‐APCI‐MS/MS assay for quantitation of ethyl esters of eicosapentaenoic acid and docosahexaenoic acid in human plasma and its application in a pharmacokinetic study
Authors: Li Le , Xia Ying , Zhao Shunbo , Ding Li , Ji Shunli
Published: May 2020

A simple and specific LC–MS/MS method was developed and validated for the determination of ethyl ester of eicosapentaenoic acid (EPAEE) and ethyl ester of docosahexaenoic acid (DHAEE). After deproteinized with acetonitrile, the plasma samples were separated on a C18 column using a gradient elution system consisted of methanol and 1.0 mM ammonium acetate in water. The detection used an atmospheric‐pressure chemical ionization ion source in positive mode with multiple reaction monitoring for the quantitation of EPAEE and DHAEE. The acceptable linearity was achieved over the concentration ranges of 1.00~1000 ng/mL for EPAEE and 2.50~2500 ng/mL for DHAEE. The method was successfully applied to a pharmacokinetic study of EPAEE and DHAEE in healthy Chinese volunteers after the oral administration of 4 g omega‐3‐acid ethyl esters 90 soft capsule. The pharmacokinetic profiles of EPAEE and DHAEE were observed for the first time in Chinese volunteers, which reached a maximum concentration of 499 ± 243 ng/mL and 1596 ± 476 ng/mL for EPAEE and DHAEE, respectively. The areas under the plasma concentration–time curve were 1290 ± 765 ng/mL·h for EPAEE and 4369 ± 1680 ng/mL·h for DHAEE, respectively.
Physicochemical evaluation of new tetrahydroacridine and iodobenzoic acid hybrids as the next step in the design of potential drugs for treating Alzheimer's disease
Authors: Kręcisz Paweł , Czarnecka Kamila , Szymański Paweł
Published: May 2020

Tacrine derivatives containing iodobenzoic acid were developed as a novel multitarget‐directed ligand and find potential application in the treatment of Alzheimer's disease. The aim of this study is to perform a physicochemical profile of this series. Experimental log P and pKa values were determined and compared with those already calculated. The results indicated better values of the tested compounds than the values predicted using computer software. The stability report was obtained using the developed HPLC method. The stability assay in different environment conditions provided information about the photosensitivity of these compounds and a proper method for the storage of this series of compounds.
Circular RNA hsa_circ_0085131 is involved in cisplatin‐resistance of non‐small‐cell lung cancer cells by regulating autophagy
Authors: Kong Rui
Published: May 2020

Non‐small‐cell lung carcinoma (NSCLC) continues to top the list of cancer mortalities worldwide. The role of circular RNAs (circRNAs) in tumorigenesis has been increasingly appreciated, although it is relatively unexplored in NSCLC. Herein, we reported the role of hsa_circ_0085131 in NSCLC. In the present study, NSCLC tumor specimens exhibited a higher hsa_circ_0085131 level in comparison to para‐tumor samples. And the higher level of hsa_circ_0085131 was associated with recurrence and poorer survival of NSCLC. Moreover, hsa_circ_0085131 promoted cell proliferation and cisplatin (DDP)‐resistance. Furthermore, hsa_circ_0085131 regulated cell DDP‐resistance by modulating autophagy. Hsa_circ_0085131 acted as a competing endogenous RNA of miR‐654‐5p to release autophagy‐associated factor ATG7 expression, thereby promoting cell chemoresistance. In conclusion, hsa_circ_0085131 enhances DDP‐resistance of NSCLC cells through sequestering miR‐654‐5p to upregulate ATG7, leading to cell autophagy. Therefore, these findings advocate targeting the hsa_circ_0085131/miR‐654‐5p/ATG7 axis as a potential therapeutic option for patients with NSCLC who are resistant to DDP.
Electrical impedance tomography reveals pathophysiology of neonatal pneumothorax during NAVA
Authors: Kallio Merja , Rahtu Marika , van Kaam Anton H. , Bayford Richard , Rimensberger Peter C. , Frerichs Inéz
Published: May 2020

Pneumothorax is a potentially life‐threatening complication of neonatal respiratory distress syndrome (RDS). We describe a case of a tension pneumothorax that occurred during neurally adjusted ventilatory assist (NAVA) in a preterm infant suffering from RDS. The infant was included in a multicenter study examining the role of electrical impedance tomography (EIT) in intensive care and therefore continuously monitored with this imaging method. The attending physicians were blinded for EIT findings but offline analysis revealed the potential of EIT to clarify the underlying cause of this complication, which in this case was heterogeneous lung disease resulting in uneven ventilation distribution. Instantaneous increase in end‐expiratory lung impedance on the affected side was observed at time of the air leak. Real‐time bedside availability of EIT data could have modified the treatment decisions made.
Active fixation coronary sinus lead in a patient with persistence of left superior vena cava
Authors: Caravati Fabrizio , Golino Michele , Damiani Giulia , Oliviero Giada , Vecchi Andrea Lorenzo , Giuntini Chiara , Paganini Edoardo Maria , De Ponti Roberto
Published: May 2020

In patients with PLSVC, the use of an active fixation lead (like the Medtronic “Attain Stability”) on the coronary sinus can lead to a successful and safe cardiac resynchronization, facilitating its positioning with a low long‐term displacement rate.
Metal‐Free Cycloaddition of Epoxides and Carbon Dioxide Catalyzed by Triazole‐Bridged Bisphenol
Authors: Hao Yanhong , Yuan Dan , Yao Yingming
Published: May 2020

1,2,3‐triazole‐bridged bisphenol has been developed as organocatalyst in the coupling of CO2 and epoxides. In the absence of halide co‐catalyst, halomethyl‐substituted epoxides reacted with 1 bar CO2, while a series of aryl‐substituted epoxides were transformed into cyclic carbonates in 57–95 % yields at 120 °C and 10 bar pressure. 1,2,3‐triazole‐bridged bisphenol is thus among the most efficient organocatalysts that are active in the absence of both metal and halide. For alkyl‐substituted epoxides, good yields of 80–95 % were obtained under 1 bar CO2 in the presence of halide. The bisphenol was recycled 14 times in the presence of halide, and 5 times in the absence of halide. The two hydroxyl groups of bisphenol are proposed to work synergistically in the catalytic cycle.
Lanthanum‐Based Perovskites for Catalytic Oxygen Evolution Reaction
Authors: Dias Jeferson A. , Andrade Marcos A. S. , Santos Hugo L. S. , Morelli Márcio R. , Mascaro Lucia H.
Published: May 2020

Lanthanum‐based perovskites have been gaining attention in recent years as cost‐attractive and efficient catalysts for the oxygen evolution reaction (OER). Showing a simplified LaBO3 stoichiometry (B=transition metal cation), the structure and composition of the perovskites play key roles in their electrocatalytic performance. This paper aims to review the physicochemical concepts, structures, and recent advances on kinetic parameters for lanthanum‐based perovskites for catalytic OER. First, advances on mechanisms and descriptors that govern general perovskites will be discussed in detail. Next, the current results for lanthanum cobaltite (LaCoO3), nickelate (LaNiO3), ferrite (LaFeO3), manganite (LaMnO3), and their derivations will be provided. Moreover, the existing results on less explored lanthanum perovskites for catalytic OER (LaCrO3, LaCuO3, LaVO3, and LaTiO3) will be also presented. The impacts of structural defects, orbital occupancy, materials morphology, and composition on the perovskite electrocatalytic performance will be assessed for each case. Finally, emerging trends for lanthanum‐based perovskites will be provided.
A Tubular Electrochemical Reactor for Slurry Electrodes
Authors: Percin Korcan , Zoellner Oliver , Rall Deniz , Wessling Matthias
Published: May 2020

The research on electrochemical reactors is mostly limited to planarly designed modules. In this study, we compare a tubular and a planar electrochemical reactor for the utilization of the slurry electrodes. Cylindrical formed geometries demonstrate a higher surface‐to‐volume ratio, which may be favorable in terms of current density and volumetric power density. A tubular shaped electrochemical reactor is designed with conductive static mixers to promote the slurry particle mixing, and the vanadium redox flow battery is selected as a showcase application. The new tubular design presents similar cell resistances to the previously designed planar battery and shows increased discharge polarization behavior up to 100 mA cm−2. The volumetric power density reaches up to 30 mW cm−3, which is two times higher than that of the planar one. The battery performance is further investigated and 85 % coulombic, 70 % voltage and 60 % energy efficiency is found at 15 mA cm−2 with 15 wt.% slurry content.
Regioselective Intramolecular Allene Amidation Enabled by an EDA Complex**
Authors: Liu Lu , Ward Robert M. , Schomaker Jennifer M.
Published: May 2020

The addition of radicals to unsaturated precursors is a powerful tool for the synthesis of both carbo‐ and heterocyclic organic building blocks. The recent advent of mild ways to generate N‐centered radicals has reignited interest in exploiting highly regio‐, chemo‐, and stereoselective transformations that employ these reactive intermediates. While the additions of aminyl, iminyl, and amidyl radicals to alkenes and alkynes have been well‐studied, analogous additions to allenes are scarce. Allenes offer several attractive features, including potential for selective amidation at three distinct sites via judicious choice of precursor or radical source, the opportunity for axial‐to‐point chirality transfer, and productive trapping of vinyl or allyl radical intermediates to diversify functionality in the products. In this article, we report a regioselective addition of amidyl radicals to allenes to furnish an array of valuable N‐heterocycle scaffolds.
Randomized double‐blind cross‐over trial of bath additive containing tannic acid in patients with atopic dermatitis
Authors: Takahagi Shunsuke , Harada Naoe , Kamegashira Akiko , Suzuki Shigeru , Shindo Hajime , Kanatani Hirotoshi , Tanaka Akio , Mizuno Hayato , Hide Michihiro
Published: May 2020

Skin care against aggravating factors is important to prevent skin lesions from flare‐up in the treatment of atopic dermatitis (AD). Tannic acid (TA), a natural polyphenolic and protein‐denaturing agent, has activity to denature antigens relevant to the AD flare. To assess the efficacy of a bath additive containing TA (TA‐bath additive) on pruritus of AD, we carried out a randomized double‐blind trial, in which 21 patients with AD completed the blinded sequential treatments with the TA‐bath additive and a bath additive without TA (placebo‐bath additive) in a cross‐over manner. A significant improvement of pruritus was observed in the afternoon and night by using the TA‐bath additive and in the afternoon by the placebo‐bath additive in patients with AD. No superiority of the TA‐bath additive to the placebo was revealed in the overall patient cohort. However, the added TA in the bath additive exerted its efficacy especially on itch at night in patients with mild‐to‐moderate disease. Bathing by using the series of the bath additive with TA and that without TA improved AD skin lesions throughout this study. No adverse effects related to the use of the TA‐ and placebo‐bath additives were observed. In conclusion, the bath additive containing TA may help skin care of patients with itch and skin lesions of the mild AD.
Rheology and processing of polytetrafluoroethylene (PTFE) paste
Authors: Tomkovic Tanja , Hatzikiriakos Savvas G.
Published: May 2020

This is a review article on the paste extrusion of polytetrafluoroethylene (PTFE). The article begins with an overall presentation of the process. Important aspects related to this process are the physical properties of PTFE, its rheology, the morphological changes occurring during flow (fibrillation) that play a critical role on the dimensional stability of the final products, the geometrical characteristics, and types of dies used and temperature. PTFE is a compressible, zero Poisson's ratio material, and the mechanical properties of extrudates after extrusion are also discussed in view of fibrillation and Poisson's ratio.
The use of student experiments in inclusive chemistry classes – chemistry teachers’ perspectives on chances and challenges
Authors: Pawlak Felix , Groß Katharina
Published: May 2020

Mit der gesetzlichen Verankerung der inklusiven Beschulung an allgemeinbildenden Schulen werden Chemielehrer*innen vor neue Herausforderungen im Unterricht gestellt. Die seit langem sowohl in der chemiedidaktischen Forschung als auch in der alltäglichen Schulpraxis anerkannte Entwicklungs‐, Lern‐ und Leistungsheterogenität von Schüler*innen tritt im Zuge der Inklusion verstärkt in den Mittelpunkt von (Chemie‐) Unterricht. Neben der Erforschung von angemessenen Lerngelegenheiten für Schüler*innen in einem inklusiven Chemieunterricht gilt es, die Lehrenden der inklusiven Praxis in den Blick zu nehmen, da diese die entscheidenden Akteure in der Umsetzung eines inklusiven Chemieunterrichts sind. Der vorliegende Beitrag stellt eine Untersuchung vor, in der die Sichtweisen von Chemielehrenden zum Einsatz von Schülerexperimenten im inklusiven Chemieunterricht erhoben werden. Dabei werden Chancen und Herausforderungen für die Umsetzung eines inklusiven experimentellen Chemieunterrichts deutlich, die zu entsprechenden Konsequenzen in der universitären Ausbildung angehender Chemielehrender führen.
The degradable performance of bile‐duct stent based on a continuum damage model: A finite element analysis
Authors: Ni Xiaoyu , Zhang Yanhong , Pan Changwang
Published: May 2020

Biomedical magnesium alloy stents have become a hot bed of research focus in interventional therapy for nonvascular diseases. In this study, a numerical model for a balloon‐expandable bile duct stent made of magnesium alloy with laser sculpture is developed to predict the effects of the degradation of the stent on the biomechanical behavior in the stent‐bile duct coupling system. Based on a continuum damage model, the degradable model of the stent is built to understand its performance in an idealized bile duct as it is subject to corrosion over time. The degradation model developed in this study addresses the uniform corrosion and pitting corrosion. By means of the secondary development function of commercial numerical software ANSYS, the finite element analysis procedures were written to control the degradation process based on the technology of element “birth and death,” and it is shown how the three‐dimensional model and approach give the possibility of analyzing for the degradation mechanism of a magnesium alloy stent in the bile duct or other nonvascular cavities.
Theoretical and Experimental Studies on the Near‐Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye: Photoinduced Hydrolysis by Radical Anion Generation
Authors: Kobayashi Masato , Harada Mei , Takakura Hideo , Ando Kanta , Goto Yuto , Tsuneda Takao , Ogawa Mikako , Taketsugu Tetsuya
Published: May 2020

Ligand release from IR700, a silicon phthalocyanine dye used in near‐infrared (NIR) photoimmunotherapy, initiates cancer cell death after NIR absorption, although its photochemical mechanism has remained unclear. This theoretical study reveals that the direct Si‐ligand dissociation by NIR light is difficult to activate because of the high dissociation energy even in excited states, i. e., >1.30 eV. Instead, irradiation generates the IR700 radical anion, leading to acid‐base reactions with nearby water molecules (i. e., calculated pKb for the radical anion is 7.7) to produce hydrophobic ligand‐released dyes. This suggests two possibilities: (1) water molecules participate in ligand release and (2) light is not required for Si–ligand dissociation as formation of the IR700 radical anion is sufficient. Experimental evidence confirmed possibility (1) by using 18O‐labeled water as the solvent, while (2) is supported by the pH dependence of ligand exchange, providing a complete description of the Si‐ligand bond dissociation mechanism.
Reactive Extraction Enhanced by Synergic Microwave Heating: Furfural Yield Boost in Biphasic Systems
Authors: Ricciardi Luca , Verboom Willem , Lange Jean‐Paul , Huskens Jurriaan
Published: May 2020

Reactive extraction is an emerging operation in the industry, particularly in biorefining. Here, reactive extraction was demonstrated, enhanced by microwave irradiation to selectively heat the reactive phase (for efficient reaction) without unduly heating the extractive phase (for efficient extraction). These conditions aimed at maximizing the asymmetries in dielectric constants and volumes of the reaction and extraction phases, which resulted in an asymmetric thermal response of the two phases. The efficiency improvement was demonstrated by dehydrating xylose (5 wt % in water) to furfural with an optimal yield of approximately 80 mol % compared with 60–65 mol % under conventional biphasic conditions, which corresponds to approximately 50 % reduction of byproducts.
Synthesis of Dicarboxylic Acids from Aqueous Solutions of Diols with Hydrogen Evolution Catalyzed by an Iridium Complex
Authors: Toyooka Genki , Fujita Ken‐ichi
Published: May 2020

A catalytic system for the synthesis of dicarboxylic acids from aqueous solutions of diols accompanied by the evolution of hydrogen was developed. An iridium complex bearing a functional bipyridonate ligand with N,N‐dimethylamino substituents exhibited a high catalytic performance for this type of dehydrogenative reaction. For example, adipic acid was synthesized from an aqueous solution of 1,6‐hexanediol in 97 % yield accompanied by the evolution of four equivalents of hydrogen by the present catalytic system. It should be noted that the simultaneous production of industrially important dicarboxylic acids and hydrogen, which is useful as an energy carrier, was achieved. In addition, the selective dehydrogenative oxidation of vicinal diols to give α‐hydroxycarboxylic acids was also accomplished.
Electrochemical Selective Recovery of Heavy Metal Vanadium Oxyanion from Continuously Flowing Aqueous Streams
Authors: Hemmatifar Ali , Ozbek Nil , Halliday Cameron , Hatton T. Alan
Published: May 2020

An electrochemical flow cell with redox‐active electrodes was used for selective removal and recovery of vanadium(V) oxyanions from aqueous streams. The cell relies on intrinsic affinity of the redox‐active polymer poly(vinyl)ferrocene (PVFc) and demonstrates selectivity of >10 towards vanadium compared to a background electrolyte in 40‐fold abundance. We demonstrate highly selective vanadium removal in the presence of various competing anions (i.e., fluoride, bromide, nitrate, and sulfate). Surface elemental analysis reveals significant correlation between PVFc moieties and vanadium‐rich regions after adsorption, corroborating the central role of PVFc modulation on vanadium separation. We further propose a vanadium speciation mechanism in which high and low pH environments during adsorption and desorption steps favor formation of, respectively, H2VO3−/ HVO42− and H2VO3−/ H3VO4/ VO2+. Results have implications for the development and optimization of flow devices, as per our observations, excessively low pH environments during desorption can lead to subsequent re‐adsorption of cationic vanadium(V).
Energy‐efficient multihop routing in WSN using the hybrid optimization algorithm
Authors: Vinitha Aljapur , Rukmini Mulpuri Santhi Sri , Sunehra Dhiraj
Published: May 2020

The technical growth in the field of the wireless sensor networks (WSNs) has resulted in the process of collecting and forwarding the massive data between the nodes, which was a major challenge to the WSNs as it is associated with greater energy loss and delay. This resulted in the establishment of a routing protocol for the optimal selection of the multipath to progress the routing in WSNs. This paper proposes an energy‐efficient routing in WSNs using the hybrid optimization algorithm, cat–salp swarm algorithm (C‐SSA), which chooses the optimal hops in progressing the routing. Initially, the cluster heads (CHs) are selected using the low‐energy adaptive clustering hierarchy (LEACH) protocol that minimizes the traffic in the network. The CHs are engaged in the multihop routing, and the selection of the optimal paths is based on the proposed hybrid optimization, which chooses the optimal hops based on the energy constraints, such as energy, delay, intercluster distance, intracluster distance, link lifetime, delay, and distance. The simulation results prove that the proposed routing protocol acquired minimal delay of 0.3165 with 50 nodes and two hops, maximal energy of 0.1521 with 50 nodes and three hops, maximal number of the alive nodes as 39 with 100 nodes and two hops, and average throughput of 0.9379 with 100 nodes and three hops.