bluuebunny/crossref_metadata_2025 huggingface dataset:
In Situ Electric‐Induced Switchable Transparency and Wettability on Laser‐Ablated Bioinspired Paraffin‐Impregnated Slippery Surfaces
Authors: Chen Chao , Huang Zhouchen , Zhu Suwan , Liu Bingrui , Li Jiawen , Hu Yanlei , Wu Dong , Chu Jiaru
Published: May 2021

Switchable wetting and optical properties on a surface is synergistically realized by mechanical or temperature stimulus. Unfortunately, in situ controllable wettability together with programmable transparency on 2D/3D surfaces is rarely explored. Herein, Joule‐heat‐responsive paraffin‐impregnated slippery surface (JR‐PISS) is reported by the incorporation of lubricant paraffin, superhydrophobic micropillar‐arrayed elastomeric membrane, and embedded transparent silver nanowire thin‐film heater. Owing to its good flexibility, in situ controllable locomotion for diverse liquids on planar/curved JR‐PISS is unfolded by alternately applying/discharging low electric‐trigger of 6 V. Simultaneously, optical visibility can be reversibly converted between opaque and transparent modes. The switching principle is that in the presence of Joule‐heat, solid paraffin would be melt and swell within 20 s to enable a slippery surface for decreasing light scattering and frictional force derived from contact angle hysteresis (FCAH). Once Joule‐heat is discharged, undulating rough surface would reconfigure by cold‐shrinkage of paraffin within 8 s to render light blockage and high FCAH. Upon its portable merit, in situ thermal management, programmable visibility, as well as steering functionalized droplets by electric‐activated JR‐PISSs are successfully deployed. Compared with previous Nepenthes‐inspired slippery surfaces, the current JR‐PISS is more competent for in situ harnessing optical and wetting properties on‐demand.
Magnetic‐Sensitive Crack Sensor with Ultrahigh Sensitivity at Room Temperature by Depositing Graphene Nanosheets upon a Flexible Magnetic Film
Authors: Huang Jianyu , Ma Zheng , Wu Zhenhua , Peng Linghui , Su Bin
Published: May 2021

Flexible magnetic field sensors attract significant interests in magnetic detection and flexible electronics. However, two challenges, low sensitivity, and limited working range, impede their practical application. Herein, a new type of magnetic‐sensitive crack sensor (M‐CS) by depositing graphene nanosheets upon a flexible magnetic film through a facial infrared drying technique is reported. The M‐CS exhibits an ultrahigh sensitivity (relative resistance change up to 4.0 × 1010) toward a moderate magnetic field of 43 mT at room temperature. In addition, the M‐CS shows a long cycling stability over 10 000 cycles. Such a superior sensitivity is attributed to physically cutting/recovering the pathways of electron transport through nanosheets’ separation/contact. Diverse experimental parameters, such as the concentration of graphene solution and the thickness of bottom magnetic substrates, have been tailored to improve the magnetic sensitivity of M‐CS. Furthermore, the array of M‐CSs with different relative resistance change can be used as the cipher key to recognize aimed magnetic signal without contact. It is believed that the M‐CS with an ultrahigh magnetic sensitivity at operational condition and long‐term stability could benefit the development of magneto‐sensitive sensors, and exploit the application of 2D materials in flexible electronic devices.
Recent Advances and Prospects of Fiber‐Shaped Rechargeable Aqueous Alkaline Batteries
Authors: Yang Jiao , Chen Jingwei , Wang Zhe , Wang Zhixun , Zhang Qichong , He Bing , Chen Mengxiao , Kang Lixing , Qi Miao , Zhang Ting , Zhang Haozhe , Chen Ming , Shum Ping , Wei Lei
Published: May 2021

The prosperity in portable and wearable electronics has stimulated researchers to develop safe, environmentally friendly, and efficient energy‐storage technologies. Increased efforts have recently been made to fabricate high‐performance rechargeable aqueous alkaline batteries (RAABs) as the frontrunner to complement and even replace the dominant lithium‐ion batteries for large‐scale energy storage due to the limited lithium resources and the use of flammable and toxic organic electrolyte. Compared with the conventional planar RAABs, fiber‐shaped RAABs (FRAABs) manifest several intriguing features, such as miniaturization, adaptability, and weavability, making them an attractive candidate to power wearable and portable electronics. Herein, an overview of the recent progress in FRAABs by categories of fiber‐shaped aqueous rechargeable Zn‐based batteries, Fe−Ni batteries, and Bi−Ni batteries, with respect to the active electrode materials, device configurations, and battery properties, is comprehensively presented. Finally, the remaining challenges and possible solutions are emphasized as a useful guide for the further development of FRAABs.
Reaction of winter wheat and barley cultivars to Fusarium pseudograminearum‐inoculated fields in the dryland Pacific Northwest, USA
Authors: Hagerty Christina H. , Lutcher Larry , McLaughlin Katherine , Hayes Patrick , Garland‐Campbell Kim , Paulitz Timothy , Graebner Ryan C. , Kroese Duncan
Published: May 2021

Fusarium crown rot (FCR) of winter wheat (Triticum aestivum L.), caused by Fusarium pseudograminearm and Fusarium culmorum, is a yield‐limiting disease in arid wheat‐producing areas of the inland Pacific Northwest. Foliar fungicide applications and currently available seed treatments do not control FCR. Alternative crops that provide a rotational benefit to reduce disease are not economically feasible. Major‐gene resistance is unavailable, but there is preliminary evidence that some wheat and barley (Hordeum vulgare L.) cultivars are more resistant than others. We followed up on preliminary work by growing 14 varieties of winter wheat, planted with in‐furrow FCR inoculum, in 2018 and 2019 in Morrow County, Oregon—one of the world's driest wheat producing regions. Two barley cultivars were added to the experiment during the second year of research. Evaluations of cultivar resistance were made by conducting aboveground visual assessments by counting whiteheads, prematurely senesced wheat heads that are indicative of FCR infection. Whitehead count information was correlated with yield and grain volume weight data. Maximum whitehead counts were measured in plots of the FCR‐susceptible check cultivar ‘Stephens’. There was no evidence of a cultivar‐specific relationship between whitehead count and corresponding values for yield and grain volume weight. There was limited evidence that some cultivars have the capacity to compensate for effects of disease.
Impact of mid‐season sugarcane aphid infestation from blooming to harvest on forage sorghum yield and silage nutritive value
Authors: Bell Jourdan M. , Bynum Ed , Porter Patrick
Published: May 2021

Forage sorghum (Sorghum bicolorL.) grown for silage production is frequently infested by the sugarcane aphid (SCA;Melanaphis sacchari[Zehntner] [Hemiptera: Aphididae]). The objective of this study was to establish first‐time action thresholds for SCA infestation, leaf feeding, honeydew, and/or dead leaves. In this 2‐yr Texas High Plains study, we quantified the impact of varying densities of SCA and subsequent damage beginning at boot stage to yields and silage nutritive value of a susceptible forage sorghum hybrid (Pioneer 841F) by using untreated controls and different insecticide treatments (lambda cyhalothrin, chlorpyrifos, malathion, and flupyradifurone). Aphid damage occurred from boot to flowering growth stages. Damaging infestations continued until harvest in 2017, but SCA densities declined sharply after peaking at the beginning milk growth stage (BMS) in 2019. Damage levels were significantly correlated to increases in aphid densities at BMS (R2 = .91) in 2017 and at 50% bloom (R2 = .83) and BMS (R2 = .86) in 2019. Yield losses increased with increasing damage at the BMS in 2017 (R2 = .82) and 2019 (R2 = .42). Reductions in nutritive value were correlated to yield reductions. Results indicate that SCA infestations should be controlled when ≥20% of the leaf area is infested and damaged at BMS to prevent yield and nutritive value losses in the fresh and ensiled forage. Based on this work, an action threshold for forage sorghums to minimize losses to yield, nutritive value, and economic returns is presented.
Syndromic neurodevelopmental disorder associated with de novo variants in DDX23
Authors: Burns William , Bird Lynne M. , Heron Delphine , Keren Boris , Ramachandra Divya , Thiffault Isabelle , Del Viso Florencia , Amudhavalli Shivarajan , Engleman Kendra , Parenti Ilaria , Kaiser Frank J. , Wierzba Jolanta , Riedhammer Korbinian M. , Liptay Susanne , Zadeh Neda , Porrmann Joseph , Fischer Andrea , Gößwein Sophie , McLaughlin Heather M. , Telegrafi Aida , Langley Katherine G. , Steet Richard , Louie Raymond J. , Lyons Michael J.
Published: May 2021

The DEAD/DEAH box RNA helicases are a superfamily of proteins involved in the processing and transportation of RNA within the cell. A growing literature supports this family of proteins as contributing to various types of human disorders from neurodevelopmental disorders to syndromes with multiple congenital anomalies. This article presents a cohort of nine unrelated individuals with de novo missense alterations in DDX23 (Dead‐Box Helicase 23). The gene is ubiquitously expressed and functions in RNA splicing, maintenance of genome stability, and the sensing of double‐stranded RNA. Our cohort of patients, gathered through GeneMatcher, exhibited features including tone abnormalities, global developmental delay, facial dysmorphism, autism spectrum disorder, and seizures. Additionally, there were a variety of other findings in the skeletal, renal, ocular, and cardiac systems. The missense alterations all occurred within a highly conserved RecA‐like domain of the protein, and are located within or proximal to the DEAD box sequence. The individuals presented in this article provide evidence of a syndrome related to alterations in DDX23 characterized predominantly by atypical neurodevelopment.
The Decline of Dialogue: The Rise of Caucus‐Only Mediation And the Disappearance of the Joint Session
Authors: Galton Eric , Love Lela , Weiss Jerry
Published: May 2021

It had been a very painful dispute and then lawsuit. Now a mediation was ahead. The inside counsel to a large shipping company enjoyed the train ride to Boston from New York City, filled with the expectation that an emotionally wrenching, vicious and troubling conflict might get resolved in mediation.
Virtual Arbitration: Fad Or New Normal?
Authors: Feit Norman
Published: May 2021

The pandemic‐prompted shift to virtual arbitral proceedings has inspired protocols and spirited debate concerning technology nuances, integrity of the proceedings, and even fundamental fairness, particularly where witness confrontation must be accomplished remotely.
A Novel Multisystem Proteinopathy Caused by a Missense ANXA11 Variant
Authors: Leoni Tauana Bernardes , González‐Salazar Carelis , Rezende Thiago Junqueira R. , Hernández Ana Luisa C. , Mattos Alexandre Hilário B. , Coimbra Neto Antônio Rodrigues , da Graça Felipe Franco , Gonçalves João Pedro Nunes , Martinez Alberto R.M. , Taniguti Lucas , Kitajima João Paulo , Kok Fernando , Rogério Fábio , da Silva André Macedo Serafim , de Oliveira Alexandre Leite Rodrigues , Zanoteli Edmar , Nucci Anamarli , França Marcondes C.
Published: May 2021

Objective

Protein misfolding plays a central role not only in amyotrophic lateral sclerosis (ALS), but also in other conditions, such as frontotemporal dementia (FTD), inclusion body myopathy (hIBM) or Paget's disease of bone. The concept of multisystem proteinopathies (MSP) was created to account for those rare families that segregate at least 2 out of these 4 conditions in the same pedigree. The calcium‐dependent phospholipid‐binding protein annexin A11 was recently associated to ALS in European pedigrees. Herein, we describe in detail 3 Brazilian families presenting hIBM (isolated or in combination with ALS/FTD) caused by the novel p.D40Y change in the gene encoding annexin A11 (ANXA11).

Methods

We collected clinical, genetic, pathological and skeletal muscle imaging from 11 affected subjects. Neuroimaging was also obtained from 8 patients and 8 matched controls.

Results

Clinico‐radiological phenotype of this novel hIBM reveals a slowly progressive predominant limb‐girdle syndrome, but with frequent axial (ptosis/dropped head) and distal (medial gastrocnemius) involvement as well. Muscle pathology identified numerous rimmed vacuoles with positive annexin A11, TDP‐43 and p62 inclusions, but no inflammation. Central nervous system was also involved: two patients had FTD, but diffusion tensor imaging uncovered multiple areas of cerebral white matter damage in the whole group (including the corticospinal tracts and frontal subcortical regions).

Interpretation

These findings expand the phenotypic spectrum related to ANXA11. This gene should be considered the cause of a novel multisystem proteinopathy (MSP type 6), rather than just ALS. ANN NEUROL 2021;90:239–252
Colorimetric Metal‐Free Detection of Carbon Monoxide: Reversible CO Uptake by a BNB Frustrated Lewis Pair
Authors: Zheng Xiongfei , Zulkifly Ili , Heilmann Andreas , McManus Caitilín , Aldridge Simon
Published: May 2021

We report two BNB‐type frustrated Lewis pairs which feature an acceptor‐donor‐acceptor functionalized cavity, and which differ in the nature of the B‐bound fluoroaryl group (C6F5 vs. C6H3(CF3)2‐3,5, Arf). These receptor systems are capable of capturing gaseous CO, and in the case of the ‐BArf2 system this can be shown to occur in reversible fashion at/above room temperature. For both systems, the binding event is accompanied by migration of one of the aryl substituents to the electrophilic carbon of the CO guest. Experiments utilizing an additional equivalent of PtBu3 allow the initially formed (non‐migrated) CO adduct to be identified and trapped (via demethylation), while also establishing the reversibility of the B‐to‐C migration process. When partnered with the slightly less Lewis acidic ‐BArf2 substituent, this reversibility allows for release of the captured carbon monoxide in the temperature range 40–70 °C, and the possibility for CO sensing, making use of the associated colourless to orange/red colour change.
Acid‐ and base‐catalyzedepoxy‐phenolthermosets from catechol, resorcinol and hydroquinone: Astructure–propertystudy
Authors: Roy Choudhury Shreya , Houston Katelyn R. , Mason Dawn , Dingemans Theo J.
Published: May 2021

In order to better understand the design rules of epoxy–phenol thermosets we will report on the chemistry and (thermo)mechanical properties of cured epoxy–phenol thermoset films.Ortho‐,meta‐andpara‐isomers of dihydroxybenzene (DHB) were reacted with the diglycidyl ether of bisphenol A (DGEBA) in the presence of an acid catalyst or triphenylphosphine (PPh3). The glass transition temperatures (Tg) of the cross‐linked films decreases in the order ofmeta‐ (Tg = 115°C) > ortho‐(Tg = 102°C) > para‐DHB (Tg = 96°C) as measured by differential scanning calorimetry. Uniaxial tensile testing of cross‐linked films showed excellent stress–strain behavior. The average ultimate strength values ranged from 65 to 82 MPa and the average values of the strain‐at‐break ranged from 4.8% to 6.9% at 25°C for all cross‐linked films. When a PPh3was used, the network properties were profoundly different. The base catalyzed thermoset of DGEBA andmeta‐DHB shows aTgof 85°C, which is 30°C lower than theTgof the acid‐catalyzed analog. Tensile films appear to be more ductile, as they exhibit a strain‐at‐break of 20%. The results of this study confirm that simple dihydroxybenzene hardeners can be used to prepare cross‐linked films with excellent thermomechanical properties.
Comparative study of the external auditory canal in humans and large mammals
Authors: Wang Jun , He Aijuan , Yin Dongming , Zhu Yaying , Zhou Guangdong , Zhang Tianyu
Published: May 2021

Given the limited source of human external auditory canal (EAC) skin, animal experiments remain an important approach for studying functional EAC reconstruction. However, differences between humans and animals in terms of the general EAC structure, histological characteristics of EAC skin, and cell markers of its specific glands in cartilaginous EAC skin remain unknown. We compared the characteristics of the EAC between humans and large animals, as a basis for appropriate animal model selection. Temporal bone computed tomography was used to compare the EACs of humans, goats, pigs, and dogs. EAC skin samples were harvested and their histological characteristics evaluated. The skin's ultrastructure and the histological structure of specific glands and cell markers related to cell phenotype and function were further identified. The EAC structure in goats was similar to that in humans in terms of diameter, length, and cartilaginous segment ratio of the EAC, while that of pigs and dogs differed markedly. Furthermore, histological evaluation showed that there were abundant ceruminous and sebaceous glands in the goat's cartilaginous skin, while dogs and pigs showed notably fewer of these glands in cartilaginous skin than humans. Nevertheless, ceruminous glands in all species studied showed similar expression of cell biomarkers and secretion function. Goats might have advantages in terms of surgery and reconstruction of the functional EAC skin compared to dogs and pigs and can be a useful candidate for ceruminous gland cell sources.
Design, synthesis, and molecular docking study of novel quinoline‐based bis‐chalcones as potential antitumor agents
Authors: Insuasty Daniel , García Stephanie , Abonia Rodrigo , Insuasty Braulio , Quiroga Jairo , Nogueras Manuel , Cobo Justo , Borosky Gabriela L. , Laali Kenneth K.
Published: May 2021

A novel series of quinoline‐based symmetrical and unsymmetrical bis‐chalcones was synthesized via a Claisen–Schmidt condensation reaction between 3‐formyl‐quinoline/quinolone derivatives with acetone or arylidene acetones, respectively, by using KOH/MeOH/H2O as a reaction medium. Twelve of the obtained compounds were evaluated for their in vitro cytotoxic activity against 60 different human cancer cell lines according to the National Cancer Institute protocol. Among the screened compounds, the symmetrical N‐butyl bis‐quinolinyl‐chalcone 14g and the unsymmetrical quinolinyl‐bis‐chalcone 17o bearing a 7‐chloro‐substitution on the N‐benzylquinoline moiety and 4‐hydroxy‐3‐methoxy substituent on the phenyl ring, respectively, exhibited the highest overall cytotoxicity against the evaluated cell lines with a GI50 range of 0.16–5.45 µM, with HCT‐116 (GI50 = 0.16) and HT29 (GI50 = 0.42 μM) (colon cancer) representing best‐case scenarios. Notably, several GI50 values for these compounds were lower than those of the reference drugs doxorubicin and 5‐FU. Docking studies performed on selected derivatives yielded very good binding energies in the active site of proteins that participate in key carcinogenic pathways.
YouTube‐based course orientation videos delivered prior to matriculation fail to alleviate medical student anxiety about anatomy
Authors: Attardi Stefanie M. , Gould Douglas J. , Pratt Rebecca L. , Roach Victoria A.
Published: May 2021

Gross anatomy is a source of anxiety for matriculating medical students due to the large volume of information presented in a truncated timeline, and because it may be their first exposure to human cadavers. This study aimed to assess if video‐based resources would affect matriculating medical students' anatomy state anxiety levels. Videos were designed to be short, YouTube‐based units that served to provide orientation information about the anatomy course, dissection facilities, and available study resources to dispel anxiety around beginning their anatomy studies. To evaluate the impact of the videos, students in two consecutive matriculating years (2018 and 2019) completed the validated State‐Trait Anxiety Inventory and a demographic questionnaire. The 2019 cohort (n = 118) served as the experimental group with access to the videos; while the 2018 cohort (n = 120) without video access served as a historical control. Analyses revealed that the groups were equivalent in terms of trait anxiety (P = 0.854) and anatomy state anxiety even when student video exposure was controlled (P = 0.495). Anatomy state anxiety was only significantly lower in students with prior formal anatomy exposure (P = 0.006). Further inquiry into students' prior anatomy experience identified that individuals with post‐secondary dissection experience were significantly less anxious than those without formal anatomical experience (P = 0.023). These results may serve as a cautionary tale to educators; while preference for video‐based instructional materials is prevalent in the literature, videos delivered on public social media platforms fail to prepare students for the psychological impact of studying human anatomy.
Effect of buscopan, a compound that alleviates cramps, on the developing nervous system of the chick embryo
Authors: Ertekin Ayşe , Atay Emre , Bozkurt Erhan , Aslan Esra
Published: May 2021

Background

Buscopan is used to treat stomach cramps including those resulting from irritable bowel syndrome, bladder cramps, and pain related to menstruation. Its pregnancy category is determined as C. It has been shown in experimental animal studies that the drug has a negative effect on the embryo, but sufficient and well‐controlled studies have not been conducted in humans. The aim of this study is to investigate effects of buscopan on the development of the neural tube (NT) in chick embryos.

Methods

Sixty specific pathogen‐free (SPF) fertilized eggs were used. SPF eggs were placed in an incubator and divided into six groups at 28 hr of incubation. Five different doses (low to high) of buscopan were injected sub‐blastodermally. At the end of 48 hr, the embryos were evaluated morphologically and histopathologically. The argyrophilic nucleolar‐organizing region (AgNOR) method was used in this study to determine the proliferation activity of cells in NT development in chick embryos. AgNOR number and total AgNOR area/nuclear area (TAA/NA) were detected for each embryo.

Results

Depending on the dose, the embryo's crown‐rump length and somite number decreased (p < .05). Significant differences were detected among all groups for mean AgNOR number (p < .05) and TAA/NA ratio (p < .05).

Conclusions

Considering the average count of AgNOR cells and TAA/NA ratio, it was found that there was a decrease in cell division depending on the dose. It was determined that buscopan treatment on chick embryos adversely affected early nervous system and NT development.
Substrate‐activated expression of a biosynthetic pathway in Escherichia coli
Authors: Ni Cynthia , Fox Kevin J. , Prather Kristala L. J.
Published: May 2021

Microbes can facilitate production of valuable chemicals more sustainably than traditional chemical processes in many cases: they utilize renewable feedstocks, require less energy intensive process conditions, and perform a variety of chemical reactions using endogenous or heterologous enzymes. In response to the metabolic burden imposed by production pathways, chemical inducers are frequently used to initiate gene expression after the cells have reached sufficient density. While chemically inducible promoters are a common research tool used for pathway expression, they introduce a compound extrinsic to the process along with the associated costs. We developed an expression control system for a biosynthetic pathway for the production of d‐glyceric acid that utilizes galacturonate as both the inducer and the substrate, thereby eliminating the need for an extrinsic chemical inducer.

Activation of expression in response to the feed is actuated by a galacturonate‐responsive transcription factor biosensor. We constructed variants of the galacturonate biosensor with a heterologous transcription factor and cognate hybrid promoter, and selected for the best performer through fluorescence characterization. We showed that native E. coli regulatory systems do not interact with our biosensor and favorable biosensor response exists in the presence and absence of galacturonate consumption. We then employed the control circuit to regulate the expression of the heterologous genes of a biosynthetic pathway for the production d‐glyceric acid that was previously developed in our lab. Productivity via substrate‐induction with our control circuit was comparable to IPTG‐controlled induction and significantly outperformed a constitutive expression control, producing 2.13 ± 0.03 g L−1 d‐glyceric acid within 6 h of galacturonate substrate addition.

This work demonstrated feed‐activated pathway expression to be an attractive control strategy for more readily scalable microbial biosynthesis.
Naming CHO cells for bio‐manufacturing: Genome plasticity and variant phenotypes of cell populations in bioreactors question the relevance of old names
Authors: Wurm Maria J. , Wurm Florian M.
Published: May 2021

Chinese Hamster Ovary [CHO] cells are the workhorse for production of modern biopharmaceuticals. They are however immortalized cells with a high propensity for genetic change. Judging from published culture records, CHO cell populations have undergone hundreds of population doublings since their origin in the late 1950s. Different cell populations were established and named from 1 to 3 decades after their generation, such as CHO‐Pro–, CHO‐K1, CHO‐DG44, CHO‐S, CHO‐DUK, CHO‐DXB‐11 to indicate origin and certain phenotypic features. These names are commonly used in scientific publications still today. This article discusses the relevance of such names. We argue that they provide a false sense of identity. To substantiate this, we provide the long (and poorly recorded) history of CHO cells as well as their highly complex genetics. Finally, we suggest an alternative naming system for CHO cells which provides more relevant information. While the implementation of a new naming convention will require substantial discussions among members of the relevant community, it should improve interpretation and comparability between laboratories. This, in turn will help scientific communities and industrial users to attain and further the full potential of CHO cells.
Design, Synthesis, Antibacterial Evaluation and Molecular Docking Studies of Some Newer Baenzothiazole Containing Aryl and Alkaryl Hydrazides
Authors: Gurram Swarupa Rani , Azam Mohammed Afzal
Published: May 2021

The alarming rise of bacterial resistance is occurring worldwide and endangering the efficacy of antibiotics. Therefore, development of new and efficient antibacterial agents remains paramount. In the present work, we designed and synthesized a series of N′‐(1,3‐benzothiazol‐2‐yl)‐substituted aryl/aralkyl hydrazidesC1–C27and evaluated themin vitrofor their antibacterial activity. Among all tested compounds,C10,C15, andC24showed potent activity againstStaphylococcus aureusATCC 43300 (MRSA). Minimum bactericidal concentration studies of synthesized compounds are performed against selected bacterial strains. Time kill kinetics showed that the compoundsC10andC15possess bactericidal activity against MRSA ATCC 43300, while compoundC24possess bactericidal activity againstS. aureusNCIM 5022. In the extra‐precision docking, compoundsC1–C27exhibited interactions mainly with the N‐terminal and central domains ofS. aureusGyrB catalytic pocket. Binding free energy (ΔGbind) of compoundsC1–C27/3U2K complexes were computed by MM‐GBSA approach. Free energy components indicated Coulomb energy term as favorable for binding, while van der Waals and electrostatic solvation energy terms strongly disfavored the binding. ADMET properties of synthesized compoundsC1–C27are also computed.
Spotlight on the Effect of Electrolyte Composition on the Potential of Maximum Entropy: Supporting Electrolytes Are Not Always Inert
Authors: Ding Xing , Garlyyev Batyr , Watzele Sebastian A. , Kobina Sarpey Theophilus , Bandarenka Aliaksandr S.
Published: May 2021

The influence of electrolyte pH, the presence of alkali metal cations (Na+, K+), and the presence of O2 on the interfacial water structure of polycrystalline gold electrodes has been experimentally studied in detail. The potential of maximum entropy (PME) was determined by the laser‐induced current transient (LICT) technique. Our results demonstrate that increasing the electrolyte pH and introducing O2 shift the PME to more positive potentials. Interestingly, the PME exhibits a higher sensitivity to the pH change in the presence of K+ than Na+. Altering the pH of the K2SO4 solution from 4 to 6 can cause a drastic shift in the PME. These findings reveal that, for example, K2SO4 and Na2SO4 cannot be considered as equal supporting electrolytes: it is not a viable assumption. This can likely be extrapolated to other common “inert” supporting electrolytes. Beyond this, knowledge about the near‐ideal electrolyte composition can be used to optimize electrochemical devices such as electrolyzers, fuel cells, batteries, and supercapacitors.
Development of diffuse large B‐cell lymphoma during dupilumab treatment in a patient with atopic dermatitis: A case report
Authors: Uchida Hideaki , Kamata Masahiro , Nagata Mayumi , Fukaya Saki , Hayashi Kotaro , Fukuyasu Atsuko , Tanaka Takamitsu , Ishikawa Takeko , Ohnishi Takamitsu , Mitsuhashi Kenjiro , Tada Yayoi
Published: May 2021

This case report describes a 44‐year‐old male patient with atopic dermatitis who developed malignant lymphoma (diffuse large B‐cell lymphoma) during the dupilumab treatment.
Tropfenbewegung und Stofftransport in technischen Flüssig/flüssig‐Systemen. Teil 2: Auswirkung von Grenzflächeneffekten und Verunreinigungen
Authors: Schulz Joschka M. , Petzold Marc , Böhm Lutz , Kraume Matthias
Published: May 2021

Fluiddynamik und Stofftransportprozessen kommt bei der Dimensionierung von Flüssig/flüssig‐Kontaktapparaten eine entscheidende Bedeutung zu. Die Vorhersage von Betriebsparametern wird durch Schwarm‐ und Grenzflächeneffekte maßgeblich erschwert. Anhand von Einzeltropfenuntersuchungen kann eine grundlegende Vorhersage für fluiddynamisches Verhalten und Stofftransportleistung auf Basis einfacher Experimente und zahlreicher publizierter Korrelationen und Theorien getroffen werden. Im ersten Teil wurden die Grundlagen zur Beschreibung der Fluiddynamik und des Stofftransports für den Fall unbeeinflusster Grenzflächen erläutert. Hier wird nun ein Überblick über relevante Grenzflächenphänomene und den Einfluss verschiedener Stoffklassen gegeben, die als Begleitkomponenten oder Verunreinigung für technische Systeme üblich sind.
Removal of Cefdinir from Water Using Waste Material‐Derived Activated Biochar as a Rapid, Effective, and Sustainable Adsorbent
Authors: Gümüş Dilek , Yumak Tuğrul , Gümüş Fatih
Published: May 2021

Cefdinir adsorption onto non‐activated biochar (WL‐BC) and activated biochars (WL‐BC‐H, WL‐BC‐OH) prepared from waste biomass (WL) is comparatively investigated in view of adsorption factors, adsorption isotherms and adsorption kinetics. Batch experiments are conducted to assess the effects of pH, adsorption time and initial antibiotic concentration. Various advanced techniques are applied to characterize the prepared biochars (BCs). Characterization of the new BCs reveal that the activation process do not have a significant effect on the chemical structure of activated carbons, but it increases the surface area up to eight times. The equilibrium data are simulated with the Langmuir adsorption model indicating monolayer adsorption for both activated biochars WL‐BC and WL‐BC‐H. However, the adsorption isotherm for WL‐BC‐OH is represented well by the Freundlich model, which shows that multilayer adsorption took place. The kinetic data are analyzed using various kinetic models. The maximum adsorption capacity of the activated biochar is approximately tenfold in comparison to the non‐activated biochar. Additionally, the real wastewater experiments with treated campus wastewater show that the adsorptive performance of the activated biochar is not affected by other ions. Consequently, BCs derived from defatted laurel leaves could be effective and eco‐friendly adsorbents for removing cefdinir from wastewater.
Non‐Dissociative Activation of Chemisorbed Dinitrogen on One or Two Vanadium Atoms Supported by a Mo6S8 Cluster
Authors: Wang Ya‐Ya , Ding Xun‐Lei , Israel Gurti Joseph , Chen Yan , Li Wei , Wang Xin , Wang Wen‐Jie , Deng Jia‐Jun
Published: May 2021

Adsorption of N2 on Mo6S8q_Vx clusters (x=0, 1, 2; q=0, ±1) were systematically studied by density functional theory calculations with dispersion corrections. It was found that the N2 can be chemisorbed and undergo non‐dissociative activation on single or double metal atoms. The adsorption and activation are influenced by metal types (V or Mo), N2 coordination modes and charge states of the clusters. Particularly, anionic Mo6S8−_V2 clusters have remarkable ability to fix and activate N2. In Mo6S8−_V2, two V atoms prefer to adsorb on two adjacent S−Mo−S hollow sites, leading to the formation of a supported V…V unit. The N2 is bridged side‐on coordinated with these two V atoms with high adsorption energy and significant charge transfer. The bond order, bond length and vibration frequency of the adsorbed N2 are close to those of a N−N single bond.
Nutrient uptake behavior of peanut under optimum fertilization management in China
Authors: Wang Xiya , Lv Jilong , He Ping , Ciampitti Ignacio Antonio , Qiu Shaojun , Xu Xinpeng , Zhao Shicheng
Published: May 2021

Balanced fertilization is one of the most critical management factors for attaining high yields. Assessing pod yield and plant nutrient demand can provide theoretical guidance for fertilization management of high yielding peanut (Arachis hypogaea L.). Following this rationale, a large dataset was collected from field experiments (n = 313) across the main peanut planting regions of China for a period spanning from 2000 to 2019 to evaluate nutrient uptake behavior of peanut under current optimum fertilization management. Across the entire dataset, the results showed that average peanut pod yield and harvest index (HI) were 4.5 Mg ha−1 and .54, respectively. The average peanut nitrogen (N), phosphorus (P), and potassium (K) requirements were of 48, 7.1, and 21 kg Mg−1 pod yield, respectively. Across five ranges of pod yields (<3, 3–4, 4–5, 5–6, and >6 Mg ha−1), both nutrient uptake and HI increased with increasing pod yield. The N and K requirements (kg Mg−1) decreased with increasing pod yield, respectively, mainly due to reductions in pod N and K concentrations. The P requirement increased with yield, attributed to an increase in straw P concentration as P luxury uptake occurs under high pod yield.
Perovskites on Ice: An Additive‐Free Approach to Increase the Shelf‐Life of Triple‐Cation Perovskite Precursor Solutions
Authors: O'Kane Mary E. , Smith Joel A. , Alanazi Tarek I. , Cassella Elena J. , Game Onkar , van Meurs Sandra , Lidzey David G.
Published: May 2021

Invited for this month′s cover is the group of David Lidzey at the University of Sheffield. The image shows a futuristic view of large‐scale perovskite solar cell (PSC) manufacture. This includes a high‐volume roll‐to‐roll printing facility and cold‐storage of PSC precursor solutions in large industrial fridges. The Full Paper itself is available at 10.1002/cssc.202100332.
An active common‐noise canceler combined with feedback control
Authors: Ohara Shunsuke , Ogasawara Satoshi , Takemoto Masatsugu , Orikawa Koji , Yamamoto Yushin
Published: May 2021

This paper describes the methods for improving the performance of an active common‐noise canceler (ACC) that suppresses the common‐mode (CM) voltage generated by inverters. Whereas the already proposed ACC (ACC0) compatible with space vector pulse width modulation requires two emitter follower circuits, this paper proposes an improved ACC (ACC1) that requires a single emitter follower. In addition, an ACC (ACC2) that improves the CM voltage suppression performance by adding a feedback circuit to ACC1 is also proposed. The experimental results show that ACC1 improved the CM voltage attenuation by −10 dB compared to ACC0, and ACC2 improved the CM voltage attenuation by −20 dB compared to ACC1. ACC2 has a large CM voltage attenuation of up to −53 dB in the wide frequency range from 100 kHz to 5 MHz.
Iron deficiency contributes to resistance to endogenous erythropoietin in anaemic heart failure patients
Authors: Tkaczyszyn Michał , Comín‐Colet Josep , Voors Adriaan A. , van Veldhuisen Dirk J. , Enjuanes Cristina , Moliner Pedro , Drozd Marcin , Sierpiński Radosław , Rozentryt Piotr , Nowak Jolanta , Suchocki Tomasz , Banasiak Waldemar , Ponikowski Piotr , van der Meer Peter , Jankowska Ewa A.
Published: May 2021

Aims

Abnormal endogenous erythropoietin (EPO) constitutes an important cause of anaemia in chronic diseases. We analysed the relationships between iron deficiency (ID) and the adequacy of endogenous EPO in anaemic heart failure (HF) patients, and the impact of abnormal EPO on 12‐month mortality.

Methods and results

We investigated 435 anaemic HF patients (age: 74 ± 10 years; males: 60%; New York Heart Association class I or II: 39%; left ventricular ejection fraction: 43 ± 17%). Patients with EPO higher than expected for a given haemoglobin were considered EPO‐resistant whereas those with EPO lower than expected ‐ EPO‐deficient. ID was defined as serum ferritin <100 µg/L or 100–299 µg/L with transferrin saturation <20%. EPO‐resistant patients (22%) had more advanced HF whereas those with EPO deficiency (57%) were more frequently females and had worse renal function. Lower serum ferritin (indicating depleted body iron stores) was related to higher EPO observed/predicted ratio when adjusted for significant clinical confounders, including C‐reactive protein. One year all‐cause mortality was 28% in patients with EPO resistance compared to 17% in patients with EPO deficiency and 10% in patients with adequate EPO (log‐rank test for the comparison EPO resistance vs. adequate EPO: P = 0.02). When adjusted for other prognosticators, there was still a trend towards increased 12‐month mortality in patients with higher EPO level.

Conclusion

Anaemic HF patients with endogenous EPO deficiency vs. resistance have different clinical and laboratory characteristics. In such patients, ID contributes to EPO resistance independently of inflammation.
Ammonothermal Synthesis and Characterization of First Amidozincate Hydroxides
Authors: Kunkel Sebastian , Brinschwitz Kai L. , Richter Theresia M. M. , Niewa Rainer
Published: May 2021

The first alkali metal amidozincate hydroxides Na3[Zn(NH2)4](OH) and Na3[Zn(NH2)3](OH)2were obtained from supercritical ammonia under ammonobasic conditions at 823 K and 250 MPa, and 623 K and 159 MPa, respectively. Crystal structures have been refined against single crystal X‐ray diffraction intensity data. Coordination environments of the cations as well as the rather open crystal structure and low density of Na3[Zn(NH2)4](OH) suggest the initial formation of a monoammoniate, prior loss of ammonia during depressurizing and recovery of the product. While Na3[Zn(NH2)4](OH) contains mutually isolated amidozincate ions next to hydroxide ions, Na3[Zn(NH2)3](OH)2is the first amidozincate realizing a condensation of the complex anionic substructure so far. Both compounds are regarded possible intermediates in an ammonothermal zinc nitride synthesis and give insights into the action of impurities during ammonothermal processes. Raman spectroscopic measurements support the assignment of amide and hydroxide groups.
An Enzyme‐free Electrochemical H2O2 Sensor Based on a Nickel Metal‐organic Framework Nanosheet Array
Authors: Liu Xiao , Xiang Mei‐Hao , Zhang Xinyue , Li Qin , Liu Xiaoya , Zhang Wenjing , Qin Xia , Qu Fengli
Published: May 2021

In this work, we reported the development of a nickel metal‐organic framework nanosheet array on Ti‐mesh (Ni‐MOF/TM) as an enzyme‐free electrochemical sensing platform for H2O2 determination. The as‐obtained sensor exhibited outstanding detection properties of H2O2, which might be gifted from the large specific surface area, abundant active sites of Ni‐MOF nanoarrays. The sensor displayed a good linear range (0.8 μM–4.6×103 μM), a detection limit as low as 0.26 μM, a high sensitivity (307.5 μA mM−1 cm−2), and a rapid response. Moreover, this enzyme‐free sensor is promising for point‐of‐care (POC) testing of H2O2 in human serum attribute to the excellent performance of Ni‐MOF and the simple preparation process of the sensor.
Hybrid analysis and modeling, eclecticism, and multifidelity computing toward digital twin revolution
Authors: San Omer , Rasheed Adil , Kvamsdal Trond
Published: May 2021

Most modeling approaches lie in either of the two categories: physics‐based or data‐driven. Recently, a third approach which is a combination of these deterministic and statistical models is emerging for scientific applications. To leverage these developments, our aim in this perspective paper is centered around exploring numerous principle concepts to address the challenges of (i) trustworthiness and generalizability in developing data‐driven models to shed light on understanding the fundamental trade‐offs in their accuracy and efficiency and (ii) seamless integration of interface learning and multifidelity coupling approaches that transfer and represent information between different entities, particularly when different scales are governed by different physics, each operating on a different level of abstraction. Addressing these challenges could enable the revolution of digital twin technologies for scientific and engineering applications.
AfHNS fellowship: Model to improve access to head and neck cancer care in Africa and developing countries
Authors: Fagan Johannes J. , Otiti Jeff , Onakoya Paul A. , Diom Evelyne , Konney Anna , Gebeyehu Melesse , Aswani Joyce , Baidoo Kenneth , Koch Wayne M.
Published: May 2021

Background

Head and neck cancers occur predominantly in developing countries where access to care is poor. Sub‐Saharan Africa has <20 head and neck surgeons for >1 billion people and has only two fellowship training programs.

Methods and results

The AfHNS Head and Neck Fellowship is being introduced to accelerate training of African surgeons to improve access to resource appropriate cancer care. By avoiding fixed time‐in‐training and single training sites, training can be offered at multiple centers in Africa, even with lower patient volumes. It also creates opportunities for accredited international surgical outreach programs to contribute to training.

Conclusions

Having prescribed reading and appropriate Entrustable Professional Activities that are assessed through Workplace Based Assessment, and having a summative virtual oral examination ensures that fellows are fit‐for‐purpose to practice in an African resource‐constrained setting. Other developing countries are encouraged to adopt a similar approach to expanding head and neck cancer services.
A matched pair analysis of oncological outcomes in human papillomavirus‐negative oropharyngeal squamous cell carcinoma: Transoral surgery versus radiotherapy or concurrent chemoradiation
Authors: Thakar Alok , Panda Smriti , Kakkar Aanchal , Singh Vishwajeet , Singh Chirom Amit , Sharma Atul , Bhasker Suman , Krishnamurthy Padmavathi , Sharma Suresh C.
Published: May 2021

Background

With the termination of RTOG 1221, there remains a lacuna regarding the optimal treatment for human papillomavirus (HPV)‐negative oropharyngeal squamous cell carcinoma (OPSCC).

Methods

Matched pair analysis with propensity score matching (PSM) between Arm I (transoral surgery [TOS] + risk‐stratified adjuvant treatment) and Arm II (nonsurgical treatment − radiation/chemoradiation) in HPV(−) OPSCC.

Results

Unmatched comparison of Arm I (n = 57) and Arm II (n = 89) indicated significantly better overall survival (OS) and disease‐free survival (DFS) for Arm I. PSM by matched pairs (n = 48, 24 each arm) indicated 5‐year OS at 80% and 72.1%, respectively, for Arm I and II (p > 0.05) and corresponding DFS at 65.3% and 33.4% (p > 0.05). Subgroup analysis did not demonstrate statistical difference in outcomes in stage II and III, but stage IV tumors had significantly better outcomes in Arm I than Arm II (4‐year OS: 100% vs. 21%, p = 0.04; DFS: 75% vs. 14.3%, p = 0.04).

Conclusions

TOS +/− adjuvant was found to have oncological outcomes at par with nonsurgical modalities in stage I–III OPSCC, whereas a distinct survival advantage was noted in case of stage IV tumors.
Improved high‐resolution global and regionalized isoscapes of δ18O, δ2H and d‐excess in precipitation
Authors: Terzer‐Wassmuth Stefan , Wassenaar Leonard I. , Welker Jeffrey M. , Araguás‐Araguás Luis J.
Published: May 2021

Patterns of δ18O and δ2H in Earth's precipitation provide essential scientific data for use in hydrological, climatological, ecological and forensic research. Insufficient global spatial data coverage promulgated the use of gridded datasets employing geostatistical techniques (isoscapes) for spatiotemporally coherent isotope predictions. Cluster‐based isoscape regionalization combines the advantages of local or regional prediction calibrations into a global framework. Here we present a revision of a Regionalized Cluster‐Based Water Isotope Prediction model (RCWIP2) incorporating new isotope data having extensive spatial coverage and a wider array of predictor variables combined with high‐resolution gridded climatic data. We introduced coupling of δ18O and δ2H (e.g., d‐excess constrained) in the model predictions to prevent runaway isoscapes when each isotope is modelled separately and cross‐checked observed versus modelled d‐excess values. We improved model error quantification by adopting full uncertainty propagation in all calculations. RCWIP2 improved the RMSE over previous isoscape models by ca. 0.3 ‰ for δ18O and 2.5 ‰ for δ2H with an uncertainty <1.0 ‰ for δ18O and < 8 ‰ for δ2H for most regions of the world. The determination of the relative importance of each predictor variable in each ecoclimatic zone is a new approach to identify previously unrecognized climatic drivers on mean annual precipitation δ18O and δ2H. The improved RCWIP2 isoscape grids and maps (season, monthly, annual, regional) are available for download at https://isotopehydrologynetwork.iaea.org.