bluuebunny/crossref_metadata_2025 huggingface dataset:
Optoelectronic Synapses Based on Photo‐Induced Doping in MoS2/h‐BN Field‐Effect Transistors
Authors: Xu Mengjian , Xu Tengfei , Yu Anqi , Wang Hailu , Wang Hao , Zubair Muhammad , Luo Man , Shan Chongxin , Guo Xuguang , Wang Fang , Hu Weida , Zhu Yiming
Published: July 2021

Synaptic device is an important component in artificial neural networks. Electrically‐controlled long‐term depression (LTD) is demonstrated in three‐terminal photonic synaptic devices, which is useful for improving the efficiency of artificial neural networks. The mechanism of the three‐terminal photonic synaptic device is similar to that of the photo‐induced doping effect. Photo‐assisted carrier transport and recombination are expected to accelerate the LTD process. However, the effects of photon illumination on LTD are not investigated. Here, the effects of electrical stimulation and photo‐stimulation on the long‐term plasticity (LTP) and LTD process of photonic synaptic devices based on MoS2/h‐BN field‐effect transistors (FETs) are systemically investigated. The influences of gate dielectric layer on the photo‐induced doping are explored. The non‐volatile and electrically‐erasable properties of photo‐induced doping in MoS2/h‐BN FETs are due to the van der Waals energy barrier at the MoS2/h‐BN interface. The synaptic functions of LTP and LTD can be mimicked by the photo‐induced doping effect. The LTD process will be accelerated with the applications of positive gate voltage and laser illumination, which improves the speed of information processing. These results presented in this paper are useful for realizing high‐performance synaptic devices based on the photo‐induced doping effect.
Hydrogel Coating Enabling Mechanically Friendly, Step‐Index, Functionalized Optical Fiber
Authors: Liu Binhong , Zhu Heng , Zhao Donghao , Nian Guodong , Qu Shaoxing , Yang Wei
Published: July 2021

Modern medicine, including minimally invasive surgeries, relies on optical fibers to efficiently transmit light into the human body. However, existing optical fibers exhibit poor mechanical compatibility with tissues and insufficient functionality. Herein is shown that a thin layer of hydrogel coating simultaneously improves the performance of optical fibers mechanically, optically, and functionally. By involving the hydrogel as a mechanically friendly skin, the optical fiber achieves surface tissue‐like softness and low friction, without compromising its bulk properties. With high transparency and low refractive index, the hydrogel coating helps form a step‐index profile for low‐loss light transmission. Furthermore, versatile functionalities by hydrogel‐coated optical fibers, like fluorescence generation, photothermal effect, pH sensing, and drug delivery, are conceptually demonstrated. This simple coating/core design that can easily incorporate extraordinary biocompatibility, extreme physical properties, and advanced functionality of hydrogels, will encourage more opportunities for the development of optical fibers in biomedical applications.
B(C6F5)3‐Catalyzed Hydroarylation of Terminal Alkynes with Phenols
Authors: Zhou Jiaming , Huang Jin , Lu Changhui , Jiang Huanfeng , Huang Liangbin
Published: July 2021

We developed a B(C6F5)3 catalyzed hydroarylation of terminal alkynes with various phenols at room temperature without adding any additives, leading to the synthesis of 2‐gem‐vinylphenols with good regio‐selectivity. Those transformations featured a broad substrate scope with moderate yields. Mechanism studies indicated that those transformations proceeded through the activation of phenol by B(C6F5)3 with subsequent protonation of alkyne/Friedel‐Crafts‐type reaction.

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Copper‐Catalyzed One‐Pot Cascade Cyclization for the Synthesis of Isoindolo[2,1‐a]quinoxalines
Authors: Li Ling , Liu Zhen‐Ting , Hu Xiang‐Ping
Published: July 2021

A copper‐catalyzed one‐pot cascade cyclization of 2‐(1‐(acetyloxy)propargyl)benzaldehydes with o‐phenylenediamines for an access to substituted isoindolo[2,1‐a]quinoxalines has been developed. The reaction features readily available starting materials, simple operational procedure, and broad substrate scopes. Under optimal conditions, various isoindolo[2,1‐a]quinoxalines were afforded in 41–88% yields.

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Solar Light Activation of Persulfate by TiO2/Fe2O3 Layered Composite Films for Degradation of Amoxicillin: Degradation Mechanism, Matrix Effects, and Toxicity Assessments
Authors: dela Rosa Francis M. , Papac Josipa , Garcia‐Ballesteros Sara , Kovačić Marin , Katančić Zvonimir , Kušić Hrvoje , Božić Ana Lončarić
Published: July 2021

In this study, sandwich‐type composites made of commercial TiO2‐P25 and α‐Fe2O3 are obtained by spin coating thin films with different layer configurations, namely: i) TiO2 layer over α‐Fe2O3 (TiO2@α‐Fe2O3), ii) α‐Fe2O3 layer over TiO2 (α‐Fe2O3@TiO2), and iii) physically mixed 50% (w/w) of TiO2/Fe2O3. Photocatalytic activity under simulated solar irradiation of the aforementioned composites and their pure components is investigated for the degradation of amoxicillin (AMX) in the presence and absence of persulfate (PS). In both cases, TiO2@α‐Fe2O3 sandwich‐type achieve the highest degradation rates of AMX and a marked effect of PS addition on the AMX degradation rate is noted. The influence of pH and PS concentration on AMX degradation rate is established by means of experimental design and response surface modeling. The AMX degradation pathway is studied by means of reactive oxygen species scavenging and identification of intermediates by liquid chromatography with tandem mass spectrometry. Their evolution is directly correlated with an increased toxicity assessed by Daphnia magna and Vibrio fischeri assays. Furthermore, biodegradability changes are correlated with the mineralization profile of AMX solution. The influence of water matrix constituents (Cl−, CO32−, NO3−, PO43− and Suwannee river natural organic matter) on AMX degradation is established as well.
Releasing Nanocapsules for High‐Throughput Printing of Stable Perovskite Solar Cells
Authors: Huang Zengqi , Hu Xiaotian , Zhao Zhipeng , Meng Xiangchuan , Su Meng , Xue Tangyue , Chi Jimei , Xie Hongfei , Cai Zheren , Chen Yiwang , Li Lin , Song Yanlin
Published: July 2021

Perovskite solar cells (PSCs) are promising photovoltaic technologies due to their impressive power conversion efficiency (PCE) and low‐temperature fabrication process, while it is still challenging to print uniform perovskite film with high crystalline quality over a module size. Here, a printable and stable perovskite nanocapsules ink to realize the high‐throughput printing of large‐area, highly uniform perovskite films with micron grain size is reported. It is discovered that the releasing effect of these perovskite nanocapsules promotes homogeneous nucleation by diffusion‐controlled growth due to the steady‐state diffusion of the solute in solution. Remarkably, the printed PSCs and 25 cm2 modules achieve power conversion efficiencies of 22.10% and 16.12%, respectively. They exhibit negligible efficiency loss after continuous operation for over 1000 h under AM1.5 illumination, and excellent thermal (85 °C) stability with over 87% of the initial efficiency after aging for 500 h. This perovskite nanocapsules ink is expected to facilitate the high‐yield fabrication of perovskite photovoltaics.
Insights into influence mechanism of polymeric excipients on dissolution of drug formulations: A molecular interaction‐based theoretical model analysis and prediction
Authors: Ji Yuanhui , Hao Dule , Luebbert Christian , Sadowski Gabriele
Published: July 2021

This study provides an analysis of the dissolution mechanism of poorly water‐soluble drugs, indomethacin (IND) and naproxen (NAP), from polyvinyl acetate (PVAc) and polyvinylpyrrolidone/vinyl acetate 64 (PVPVA 64) formulations under the combination of the Perturbed‐Chain Statistical Associating Fluid Theory (PC‐SAFT) and a chemical‐potential‐gradient model. Moreover, the dissolution kinetics of both drugs from these polymeric formulations were modeled in conformity with the in vitro experimental data obtained by means of a rotating disk system (USP II). The combination of the thermodynamic model PC‐SAFT and a chemical‐potential‐gradient model was demonstrated to be an efficient approach to explain the drug dissolution mechanism from the drug/PVAc and PVPVA 64 formulations. These results have implications in reducing experimental time and resources for the sustained dissolution kinetics profile determination without compromising accuracy, in particular for the system of the drug/PVAc formulation when obtaining continuous drug dissolution in this work.
High‐frequency formation of bubble with short length in a capillary embedded step T‐junction microdevice
Authors: Sheng Lin , Chen Yuchao , Deng Jian , Luo Guangsheng
Published: July 2021

The performances of slug flow gas–liquid reactors are mostly determined by slug length, especially for the high gas–liquid flow rate ratio condition. This work is the first time to report the short bubble generated with high frequency in a capillary embedded step T‐junction microdevice. The aspect ratio of bubble could be around 0.5 with a frequency higher than 750 s−1 when the gas–liquid flow rate ratio is even higher than 5. The specific surface area of the generated gas–liquid microdispersion system is larger than 10,400 m2/m3. The short bubble formation process includes two periods, and its formation mechanism is mainly because of the relatively higher pressure drop in the step T‐junction, which provides a much higher breakup force for the squeezing flow. Finally, two models are developed to predict the bubble frequency and volume. This work provides a highly promising dispersion technology for the gas–liquid process intensification in microreactors.
Frequency of carriers for rare recessive Mendelian diseases in a Brazilian cohort of 320 patients
Authors: Quaio Caio Robledo D'Angioli Costa , Chung Christine Hsiaoyun , Perazzio Sandro Felix , Dutra Aurelio Pimenta , Moreira Caroline Monaco , Filho Gil Monteiro Novo , Sacramento‐Bobotis Patricia Rossi , Penna Michele Groenner , de Souza Rafaela Rogerio Floriano , Cintra Vivian Pedigone , Carnavalli Juliana Emilia Prior , da Silva Rafael Alves , Paixão Daniele , Baratela Wagner Antonio da Rosa , Olivati Caroline , Spolador Gustavo Marquezani , Santos Monize Nakamoto Provisor , Pintao Maria Carolina , Fornari Alexandre Ricardo dos Santos , Burger Matheus , Ramalho Rodrigo Fernandes , Pereira Otavio Jose Eulalio , e Ferreira Elisa Napolitano , Mitne‐Neto Miguel , Kim Chong Ae
Published: July 2021

Several Mendelian disorders follow an autosomal recessive inheritance pattern. Epidemiological information on many inherited disorders may be useful to guide health policies for rare diseases, but it is often inadequate, particularly in developing countries. We aimed to calculate the carrier frequencies of rare autosomal recessive Mendelian diseases in a cohort of Brazilian patients using whole exome sequencing (WES). We reviewed the molecular findings of WES from 320 symptomatic patients who had carrier status for recessive diseases. Using the Hardy–Weinberg equation, we estimated recessive disease frequencies (q2) considering the respective carrier frequencies (2pq) observed in our study. We calculated the sensitivity of carrier screening tests based on lists of genes from five different clinical laboratories that offer them in Brazil. A total of 425 occurrences of 351 rare variants were reported in 278 different genes from 230 patients (71.9%). Almost half (48.8%) were carriers of at least one heterozygous pathogenic/likely pathogenic variant for rare metabolic disorders, while 25.9% of epilepsy, 18.1% of intellectual disabilities, 15.6% of skeletal disorders, 10.9% immune disorders, and 9.1% of hearing loss. We estimated that an average of 67% of the variants would not have been detected by carrier screening panels. The combined frequencies of autosomal recessive diseases were estimated to be 26.39/10,000 (or ~0.26%). This study shows the potential research utility of WES to determine carrier status, which may be a possible strategy to evaluate the clinical and social burden of recessive diseases at the population level and guide the optimization of carrier screening panels.
Social strategies used by dispersing males to integrate into a new group in Tibetan macaques (Macaca thibetana)
Authors: Xia Dong‐Po , Garber Paul A. , Sun Lixing , Sun Binghua , Wang Xi , Li Jin‐Hua
Published: July 2021

In group‐living mammals, an individual's fitness depends, in part, on the quality of social relationships it has with others. Among species of nonhuman primates in which one sex is philopatric, individuals of that sex often develop strong social bonds and alliances with closely related kin. Less is known regarding the social processes used by dispersing adults to form stable bonds with nonkin in their new group. From May to December 2009, April to August 2010, September to December 2011, and February to May 2012, we collected data on grooming interactions in wild Tibetan macaques (Macaca thibetana), a female philopatric species, at Mt. Huangshan, China. Our goal was to compare social interactions and bond formation between resident males, recent immigrant males, and resident females. Our results indicate that recent immigrant males formed stable partner relationships with a small number of resident females and groomed these females more frequently or for longer than they received grooming. In contrast, resident males switched female grooming partners more frequently, received more grooming than they gave, and formed relationships with a greater number of female partners. We argue that the ability of recent immigrant male Tibetan macaques to maintain strong and persistent social bonds with a small set of resident adult females is a primary factor that enables them to establish residence in a new multimale–multifemale group. The present study provides new and important insights into the integrated social strategies used by dispersing males and resident females to maintain group stability.
Palladium complexes derived from benzoylthiourea ligands: Synthesis, crystal structure, and catalytic application in Suzuki C–C coupling reactions
Authors: Solmaz Ummuhan , Gumus Ilkay , Yilmaz Mustafa Kemal , Ince Simay , Arslan Hakan
Published: July 2021

[PdCl2(HL1‐κS)2] and [PdCl2(HL2‐κS)2] complexes were formed from neutral monodentate modes of HL1 and HL2 ligands, which are coordinated to the palladium(II) center, respectively. [Pd(L1‐κ2S,O)2] and [Pd(L2‐κ2S,O)2] complexes were obtained by recrystallization of corresponding [PdCl2(HL1‐κS)2] and [PdCl2(HL2‐κS)2] complexes as anionic bidentate coordination modes. All palladium(II) complexes were characterized by elemental analysis, FT‐IR, and NMR (1H and 13C) techniques. The molecular structure of [Pd(L1‐κ2S,O)2] and [Pd(L2‐κ2S,O)2] was also confirmed by single‐crystal X‐ray diffraction method. The roles and behaviors of the prepared four palladium(II) complexes in catalytic investigations for the Suzuki C–C coupling reaction were examined for the first time. The complexes acted as the excellent catalyst precursor and showed highly catalytic activity for the Suzuki C–C coupling reaction of various arylhalides with phenylboronic acid at low catalyst loading (0.01 mol%).
Beyond the classic sensory systems: Characteristics of the sense of time of harbor seals (Phoca vitulina) assessed in a visual temporal discrimination and a bisection task
Authors: Heinrich Tamara , Lappe Alexander , Hanke Frederike D.
Published: July 2021

Beyond the classic sensory systems, the sense of time is most likely involved from foraging to navigation. As a prerequisite for assessing the role time is playing in different behavioral contexts, we further characterized the sense of time of a harbor seal in this study. Supra‐second time intervals were presented to the seal in a temporal discrimination and a temporal bisection task. During temporal discrimination, the seal needed to discriminate between a standard time interval (STI) and a longer comparison interval. In the bisection task, the seal learnt to discriminate two STIs. Subsequently, it indicated its subjective perception of test time intervals as resembling either the short or long STI more. The seal, although unexperienced regarding timing experiments, learnt both tasks fast. Depending on task, time interval or duration ratio, it achieved a high temporal sensitivity with Weber fractions ranging from 0.11 to 0.26. In the bisection task, the prerequisites for the Scalar Expectancy Theory including a constant Weber fraction, the bisection point lying close to the geometric mean of the STIs, and no significant influence of the STI pair condition on the probability of a long response were met for STIs with a ratio of 1:2, but not with a ratio of 1:4. In conclusion, the harbor seal's sense of time allows precise and complex judgments of time intervals. Cross‐species comparisons suggest that principles commonly found to govern timing performance can also be discerned in harbor seals.
Nuna Nalluyuituq (The Land Remembers): Remembering landscapes and refining methodologies through community‐based remote sensing in the Yukon‐Kuskokwim Delta, Southwest Alaska
Authors: Lim Jonathan S. , Gleason Sean , Jones Warren , Church Willard
Published: July 2021

The following article outlines a collaborative, multidisciplinary approach to remote sensing in Southwest Alaska's Yukon‐Kuskokwim (Y‐K) Delta that combines ethnographic inquiry and remote sensing to monitor, detect and preserve cultural resources for Alaskan Native communities. Because distinctive vegetation differences are readily visible on cultural sites during the summer months, the analysis of multispectral imagery obtained from remote sensing is particularly useful. In turn, we demonstrate the efficacy of this protocol on pre‐contact settlement sites along the Ayakulik River system on Kodiak Island using a normalized difference vegetation index (NDVI) raster of the study area. Here, support vector machine (SVM) supervised classification was highly effective at identifying spectral patterns associated with anthropogenic activity while ethnographic data helped rule out false‐positive cases. In addition, we provide the results of a 2019 archaeological prospection survey carried out in conjunction with the ongoing Nunalleq Project in Quinhagak, Alaska, to further highlight the value of ethnographic data collection, ethnobotanical surveys and unmanned aerial vehicle (UAV)‐based spectroscopy alongside SVM supervised classification. Finally, we propose three suggestions for future research on Yup'ik landscapes in the Y‐K Delta regarding citizen science, language preservation and the use of collaborative online maps for community‐based decision making.
Construction and characterization of novel bifunctional fusion proteins composed of alcohol dehydrogenase and NADH oxidase with efficient oxidized cofactor regeneration
Authors: Wu Xi , Zhang Chong , Xing Xin‐Hui , Yun Zhenyu , Zhao Lin , Wu Qi
Published: July 2021

To tune the efficiency of oxidized cofactor recycling between alcohol dehydrogenase (ADH) and NADH oxidase (NOX) for the production of aromatic chiral alcohols, we designed and constructed four novel bifunctional fusion proteins composed of thermostable ADH and NOX from Thermococcus kodakarensis KOD1. ADH was linked to the N‐ or C‐terminus of NOX with a typical rigid linker (EAAAK)3 and a flexible linker (GGGGS)3, respectively. Compared with the parental enzymes, the NOX moieties in the four fusion proteins exhibited higher specific activities (141%–282%), while the ADH moieties exhibited varying levels of specific activity (69%–167%). All fusion proteins showed decreased affinities toward the cofactors, with increased Km values toward NADH (159%–406%) and NAD+ (202%–372%). In the enantioselective oxidation of (RS)‐1‐phenylethanol coupled with cofactor regeneration, the four fusion proteins displayed different positive and negative effects on the recycling efficiency of the oxidized cofactor. The two fusion proteins composed of NOX at the N‐terminus exhibited higher total turnover numbers than the corresponding mixtures of individual enzymes with equal activities, particularly at low cofactor concentrations. These findings suggest high cofactor recycling efficiencies of the fusion proteins with appropriate design and their potential application in the biosynthesis of chiral alcohols.
Subclassification estimation of the weighted average treatment effect
Authors: Choi Byeong Yeob
Published: July 2021

Weighting and subclassification are popular approaches using propensity scores (PSs) for estimation of causal effects. Weighting is appealing in that it gives consistent estimators for various causal estimands if appropriate weights are well defined and the PS model is correctly specified. Subclassification is known to be more robust to model misspecification than weighting, but its application to diverse causal estimands is limited. In this article, we propose generalized stratum weights to implement subclassification estimators for various causal estimands. These weights include stratum weights for the average treatment effect (ATE) of the overall population and those for the ATE of the treated as special cases. For this, we incorporate strata into the expression of the weighted average treatment effect (WATE). Particularly, we identify stratum weights for the ATE for the overlap population (ATO), for which the weighting estimator is known to be most efficient among the class of WATE estimators. We show that the identified stratum weights for ATO are equivalent to the optimal stratum weights, which are the inverse variances of the stratum‐specific estimators. Simulation studies demonstrate that the proposed subclassification estimator for ATO is more robust to model misspecification than the weighting estimator for ATO. We also propose augmented subclassification estimators, which are shown to be less biased than the subclassification estimators when only the outcome model is correctly specified. The practical utility of the proposed methods is illustrated in a study of right heart catheterization.
Kinetics of Asian and African Zika virus lineages over single‐cycle and multi‐cycle growth in culture: Gene expression, cell killing, virus production, and mathematical modeling
Authors: Shi Huicheng , Yin John
Published: July 2021

Since 2014, an Asian lineage of Zika virus has caused outbreaks, and it has been associated with neurological disorders in adults and congenital defects in newborns. The resulting threat of the Zika virus to human health has prompted the development of new vaccines, which have yet to be approved for human use. Vaccines based on the attenuated or chemically inactivated virus will require large‐scale production of the intact virus to meet potential global demands. Intact viruses are produced by infecting cultures of susceptible cells, a dynamic process that spans from hours to days and has yet to be optimized. Here, we infected Vero cells adhesively cultured in well‐plates with two Zika virus strains: a recently isolated strain from the Asian lineage, and a cell‐culture‐adapted strain from the African lineage. At different time points post‐infection, virus particles in the supernatant were quantified; further, microscopy images were used to quantify cell density and the proportion of cells expressing viral protein. These measurements were performed across multiple replicate samples of one‐step infections every four hours over 60 h and for multi‐step infections every four to 24 h over 144 h, generating a rich data set. For each set of data, mathematical models were developed to estimate parameters associated with cell infection and virus production. The African‐lineage strain was found to produce a 14‐fold higher yield than the Asian‐lineage strain in one‐step growth and a sevenfold higher titer in multi‐step growth, suggesting a benefit of cell‐culture adaptation for developing a vaccine strain. We found that image‐based measurements were critical for discriminating among different models, and different parameters for the two strains could account for the experimentally observed differences. An exponential‐distributed delay model performed best in accounting for multi‐step infection of the Asian strain, and it highlighted the significant sensitivity of virus titer to the rate of viral degradation, with implications for optimization of vaccine production. More broadly, this study highlights how image‐based measurements can contribute to the discrimination of virus‐culture models for the optimal production of inactivated and attenuated whole‐virus vaccines.
Successful rechallenge with cetuximab after progression with nivolumab for recurrent cervical lymph node metastasis from carcinoma of the tongue
Authors: Asada Yasuyuki , Teramura Chitoshi , Wada Takuma , Machida Yoshisato , Koshinuma Shinya , Yamamoto Gaku
Published: July 2021

We can infer that the immunostimulatory effect of nivolumab and reactivation of cetuximab enhance the antitumor effect of the therapy.
Cyclopia with proboscis: A rare congenital anomaly
Authors: Kunwar Asma , Shrestha Bibek Man , Shrestha Suraj , Paudyal Pooja , Rawal Suniti
Published: July 2021

Cyclopia with a proboscis, a rare congenital anomaly, and a severe form of holoprosencephaly occur as a result of incomplete separation of prosencephalon into two halves of hemispheres during organogenesis. A prenatal anomaly scan can help in the early detection of the condition and timely termination of the pregnancy.
Adverse reaction of methylprednisolone pulse therapy: Acute respiratory distress syndrome
Authors: Ashtari Fereshteh , Soltani Rasool , Shokouhi Shervin , Rismanbaf Ali , Hajiahmadi Somayeh , Hakamifard Atousa
Published: July 2021

Methylprednisolone pulse therapy has significant anti‐inflammatory effects in multiple sclerosis. Acute respiratory distress syndrome as a probable adverse effect of methylprednisolone pulse therapy in MS patients should be considered.
Tailgut cyst: 2 case reports
Authors: Kardoun Nizar , Hadrich Zied , Akrout Amira , Harbi Houssem , Boujelben Salah , Mzali Rafik
Published: July 2021

Tailgut cysts, or retrorectal cystic hamartomas, are rare congenital developmental lesions. It is a benign lesion, but there is a risk of degeneration, so surgical resection is necessary.
Transcutaneous ultrasound: An adjunct way to evaluate the intra–false vocal cord pathology—learning from a case of laryngeal Rosai‐Dorfman disease
Authors: Wang Cheng‐Ping , Chen Tseng‐Cheng
Published: July 2021

In clinical practice, it is sometimes difficult to evaluate the intra–false vocal fold lesion. Transcutaneous ultrasound can be an option to evaluate the soft tissue lesion within the right false vocal cord in a 65‐year‐old man with laryngeal Rosai‐Dorfman disease presenting with hoarseness and right false cord swelling.
Effects of nanopores and sulfur doping on hierarchically bunched carbon fibers to protect lithium metal anode
Authors: Jung Ji In , Park Sunwoo , Ha Son , Cho Se Youn , Jin Hyoung‐Joon , Yun Young Soo
Published: July 2021

Studies on three‐dimensional structured carbon templates have focused on how to guide homogeneous lithium metal nucleation and growth for lithium metal anodes (LMAs). However, there is still insufficient evidence for a key factor to achieve their high electrochemical performance. Here, the effects of nanopores and sulfur doping on carbon‐based nanoporous host (CNH) electrode materials for LMAs were investigated using natural polymer‐derived CNHs. Homogeneous pore‐filling behaviors of lithium metal in the nanopores of the CNH electrode materials were first observed by ex situ scanning electron microscopy analysis, where the protective lithium metal nucleation and growth process led to significantly high Coulombic efficiency (CE) of ~99.4% and stable 600 cycles. In addition, a comparison study of CNH and sulfur‐doped CNH (S‐CNH) electrodes, which differ only in the presence or absence of sulfur, revealed that sulfur doping can cause lower electrochemical series resistance, higher CE value, and better cycling stability in a wide range of current densities and number of cycles. Moreover, S‐CNH‐based LMAs showed high electrochemical performance in full‐cell Li–S battery tests using a sulfur copolymer cathode, where a high energy density of 1370 W h kgelectrode−1 and an excellent power density of 4120 W kgelectrode−1 were obtained.
Design of Stimuli‐Responsive Dynamic Covalent Delivery Systems for Volatile Compounds (Part 2): Fragrance‐Releasing Cleavable Surfactants in Functional Perfumery Applications
Authors: Tchakalova Vera , Lutz Eric , Lamboley Serge , Moulin Emilie , Benczédi Daniel , Giuseppone Nicolas , Herrmann Andreas
Published: July 2021

Amphiphilic imines prepared by condensation of a hydrophobic fragrance aldehyde with a hydrophilic amine derived from a poly(propylene oxide) and poly(ethylene oxide) diblock copolymer were investigated as cleavable surfactant profragrances in applications of functional perfumery. In water, the cleavable surfactants assemble into micelles that allow solubilization of perfume molecules that are not covalently attached to the surfactant. Dynamic headspace analysis on a glass surface showed that solubilized perfume molecules evaporated in a similar manner in the presence of the cleavable surfactant as compared with a non‐cleavable reference surfactant. Under application conditions, the cleavable surfactant imine hydrolysed to release the covalently linked fragrance aldehyde. The profragrances were stable during storage in aqueous media, and upon dilution showed a blooming effect for the hydrolytical fragrance release and a more balanced performance of a solubilized perfume by retaining the more volatile fragrances and boosting the evaporation of the less volatile fragrances.
An investigation on the bubbly flow of a Venturi channel based on the population balance model
Authors: Ding Guodong , Chen Jiaqing , Li Zhenlin , Cai Xiaolei , Ji Yipeng
Published: July 2021

In this paper, the bubbly flow characteristics of a Venturi channel was revealed by using the population balance model (PBM) within the framework of computational fluid dynamics (CFD) numerical simulation and focused on the bubble size distribution and pressure drop △P of different regions. The simulation results indicated that bubble breakup mainly occurred in the diverging section of the Venturi channel, and the average diameter of the daughter bubbles davg in the sidewall region was much smaller than that in the central region. Through the correlational analysis between the bubble size distribution and turbulent flow field, the bubble breakup in the diverging section was positively related to the turbulent flow. Considering the influence of geometric parameters on davg and △P, the davg decreased and △P increased with the increasing of the diverging angle β. As the throat diameter D increased, the davg increased and △P decreased gradually. In order to quantify the bubble breakup characteristics, the concept of bubble breakup ratio τ is introduced and defined as the ratio of inlet average bubble diameter di to the outlet average bubble diameter do. Through dimensionless transformation, the fitting relationship between τ or △P and angle ratio a was Sinusoidal function (SINE), respectively, and was Boltzmann with the throat length‐diameter ratio b. Due to the relationship of first‐order linear function between τ and △P, the bubble breakup ratio can be obtained by measuring the pressure drop of the Venturi tube, which was significant to the practical engineering application.
Discovery of GPR183 Agonists Based on an Antagonist Scaffold
Authors: Kjær Viktoria M. S. , Ieremias Loukas , Daugvilaite Viktorija , Lückmann Michael , Frimurer Thomas M. , Ulven Trond , Rosenkilde Mette M. , Våbenø Jon
Published: July 2021

The G protein‐coupled receptor GPR183/EBI2, which is activated by oxysterols, is a therapeutic target for inflammatory and metabolic diseases where both antagonists and agonists are of potential interest. Using the piperazine diamide core of the known GPR183 antagonist (E)‐3‐(4‐bromophenyl)‐1‐(4‐(4‐methoxybenzoyl)piperazin‐1‐yl)prop‐2‐en‐1‐one (NIBR189) as starting point, we identified and sourced 79 structurally related compounds that were commercially available. In vitro screening of this compound collection using a Ca2+ mobilization assay resulted in the identification of 10 compounds with agonist properties. To enable establishment of initial structure‐activity relationship trends, these were supplemented with five in‐house compounds, two of which were also shown to be GPR183 agonists. Taken together, our findings suggest that the agonist activity of this compound series is dictated by the substitution pattern of one of the two distal phenyl rings, which functions as a molecular efficacy‐switch.
Gold(I) and Gold(III) N‐Heterocyclic Carbene Complexes as Antibacterial Agents and Inhibitors of Bacterial Thioredoxin Reductase
Authors: Büssing Rolf , Karge Bianka , Lippmann Petra , Jones Peter G. , Brönstrup Mark , Ott Ingo
Published: July 2021

A series of (NHC)Au(I)Cl monocarbene complexes and their gold(III) analogues (NHC)Au(III)Cl3 were prepared and investigated as antibacterial agents and inhibitors of bacterial TrxR. The complexes showed stronger antibacterial effects against the Gram‐positive MRSA and E. faecium strains than against several Gram‐negative bacteria. All complexes were efficient inhibitors of bacterial thioredoxin reductase, indicating that inhibition of this enzyme might be involved in their mechanism of action. The efficacy of gold(I) and gold(III) analogues was comparable in most of the assays. The cytotoxicity of the gold NHC compounds against cancer and human cells was overall weaker than the activity against the Gram‐positive bacteria, suggesting that their optimization as antibacterials warrants further investigation.
Effect of Pantoprazole on the Absorption of Hydroxychloroquinea A Randomized Drug‐Drug Interaction Trial in Healthy Adults
Authors: Stoll Felicitas , Blank Antje , Mikus Gerd , Czock David , Foerster Kathrin I. , Hermann Simon , Gümüs Katja , Muhareb Amin , Hummler Simone , Sauter Max , Weiss Johanna , Burhenne Jürgen , Haefeli Walter E.
Published: July 2021

Hydroxychloroquine as a weak basic compound with two amines is strongly enriched in cell compartments with low pH, suggesting that modification of gastric pH by coadministered proton pump inhibitors might reduce its solubility and absorption and thus its efficacy in patients. We addressed this question in a single‐center, open‐label, randomized, parallel drug‐drug interaction trial in healthy adults (EudraCT No. 2020‐001470‐30). All participants received a single oral dose of 400‐mg hydroxychloroquine, and one group additionally received 40 mg of pantoprazole once daily for 9 days dosed to steady state. Whole‐blood samples were collected for 72 hours, and hydroxychloroquine was quantified by liquid chromatography–tandem mass spectrometry. Primary endpoints were whole‐blood hydroxychloroquine areas under the concentration‐time curve from 0 to 72 hours (AUC0‐72h) and peak concentrations (Cmax). Unpaired 2‐sided t‐tests of the log transformed pharmacokinetic parameters were performed to compare both groups. Twenty‐four participants (12 per group) were included. Hydroxychloroquine AUC0‐72h and Cmax did not differ between groups without and with pantoprazole (arithmetic mean; AUC0‐72h, 7649 ng/ml • h, and 8429 ng/ml • h, P = .50; Cmax, 448 ng/mL and 451.5 ng/mL, P = .96, respectively). Pantoprazole did not alter hydroxychloroquine absorption, indicating that proton pump inhibitors do not affect its bioavailability.
Interviewing anorexia: How do individuals given a diagnosis of anorexia nervosa experience Voice Dialogue with their eating disorder voice? A qualitative analysis
Authors: Chua Natalie , Serpell Lucy , Burnett‐Stuart Sarah , Pugh Matthew
Published: July 2021

A proportion of individuals given an eating disorder diagnosis describe the experience of an eating disorder ‘voice’ (EDV). However, methods for working with this experience are currently lacking. Voice Dialogue (Stone & Stone, 1989) involves direct communication between a facilitator and parts of the self to increase awareness, understanding, and separation from inner voices. Adapted forms of this method have shown promise in working with voices in psychosis. This study aimed to explore the experience and acceptability of Voice Dialogue amongst individuals with anorexia nervosa who experience an EDV. Nine women participated in a semistructured interview following a single Voice Dialogue session. Interview transcripts were analysed using interpretative phenomenological analysis (IPA). Three overarching themes were identified as follows: (i) “separating from the EDV”; (ii) “better understanding of the EDV”; and (iii) “hopeful, motivated, and afraid of recovery”. The majority of participants found Voice Dialogue acceptable and helpful for exploring their EDV. Whilst preliminary, the results suggest that Voice Dialogue has potential in terms of helping individuals establish a more constructive relationship with their EDV and motivating change. Further research is needed to build upon these findings. Implications for addressing the EDV using voice‐focused interventions are explored.
The Posology of Dupilumab in Pediatric Patients With Atopic Dermatitis
Authors: Kamal Mohamed A. , Kovalenko Pavel , Kosloski Matthew P. , Srinivasan Kamal , Zhang Yi , Rajadhyaksha Manoj , Lai Ching‐Ha , Kanamaluru Vanaja , Xu Christine , Sun Xian , Simpson Eric L. , Paller Amy S. , Siegfried Elaine C. , Shumel Brad , Bansal Ashish , Al‐Huniti Nidal , Davis John D.
Published: July 2021

Dupilumab demonstrated efficacy with an acceptable safety profile in two randomized, double‐blind, placebo‐controlled, parallel‐group, phase III trials in adolescents (12–17 years; LIBERTY AD ADOL) and children (6–11 years; LIBERTY AD PEDS) with atopic dermatitis (AD) treated for 16 weeks. Here, we present the pharmacokinetic profiles and exposure‐response (E‐R) relationships of dupilumab that guided the posology in these populations. A total of 251 adolescent patients with moderate‐to‐severe AD were randomized to subcutaneous dupilumab monotherapy every 2 weeks (q2w; 200 mg q2w, baseline weight < 60 kg; 300 mg q2w, ≥ 60 kg), dupilumab 300 mg every 4 weeks (q4w; non‐weight tiered), or placebo; 367 children with severe AD were randomized to dupilumab q2w (100 mg q2w, baseline weight < 30 kg; 200 mg q2w, ≥ 30 kg), dupilumab 300 mg q4w, or placebo. Children received concomitant topical corticosteroids in addition to dupilumab, and loading doses were administered at the start of therapy. Mean dupilumab trough concentrations at week 16 for weight subcategories in each dosing regimen were compared with adult exposures for the approved dupilumab 300 mg q2w regimen. Positive E‐R relationships were demonstrated between dupilumab trough concentrations and AD outcome measures across patient populations and regimens; no relationship was observed with treatment‐emergent conjunctivitis. Based on these analyses, a weight‐tiered posology was proposed for adolescents (200/300 mg q2w in patients 30–< 60 kg/≥ 60 kg) and children (300 mg q4w in patients 15–< 30 kg, 200 mg q2w in patients 30–< 60 kg) with moderate‐to‐severe AD.
Uncovering the genetic diversity of yams (Dioscorea spp.) in China by combining phenotypic trait and molecular marker analyses
Authors: Cao Tianxu , Sun Jingyu , Shan Nan , Chen Xin , Wang Putao , Zhu Qianglong , Xiao Yao , Zhang Hongyu , Zhou Qinghong , Huang Yingjin
Published: July 2021

Yam is an important edible tuber and root plant worldwide; China as one of the native places of yams has many diverse local resources. The goal of this study was to clarify the genetic diversity of the commonly cultivated yam landraces and the genetic relationship between the main yam species in China. In this study, 26 phenotypic traits of 112 yam accessions from 21 provinces in China were evaluated, and 24 simple sequence repeat (SSR) and 29 sequence‐related amplified polymorphism (SRAP) markers were used for the genetic diversity analysis. Phenotypic traits revealed that Dioscorea opposita had the highest genetic diversity, followed by D. alata, D. persimilis, D. fordii, and D. esculenta. Among the 26 phenotypic traits, the Shannon diversity indexes of leaf shape, petiole color, and stem color were high, and the range in the variation of tuber‐related traits in the underground part was higher than that in the aboveground part. All accessions were divided into six groups by phenotypic trait clustering, which was also supported by principal component analysis (PCA). Molecular marker analysis showed that SSR and SRAP markers had good amplification effects and could effectively and accurately evaluate the genetic variation of yam. The unweighted pair‐group method with arithmetic means analysis based on SSR‐SRAP marker data showed that the 112 accessions were also divided into six groups, similar to the phenotypic trait results. The results of PCA and population structure analysis based on SSR‐SRAP data also produced similar results. In addition, the analysis of the origin and genetic relationship of yam indicated that the species D. opposita may have originated from China. These results demonstrate the genetic diversity and distinctness among the widely cultivated species of Chinese yam and provide a theoretical reference for the classification, breeding, germplasm innovation, utilization, and variety protection of Chinese yam resources.
Transcriptomic response of Daphnia magna to nitrogen‐ or phosphorus‐limited diet
Authors: Xu Zhimeng , Li Yingdong , Li Meng , Liu Hongbin
Published: July 2021

Effects of nutrient‐imbalanced diet on the growth and fitness of zooplankton were widely reported as key issues to aquatic ecology. However, little is known about the molecular mechanisms driving the physiological changes of zooplankton under nutrient stress.

In this study, we investigated the physiological fitness and transcriptomic response of Daphnia magna when exposed to nitrogen (N)‐limited or phosphorus (P)‐limited algal diet (Chlamydomonas reinhardtii) compared to regular algae (N and P saturated).

D. magna showed higher ingestion rates and overexpression of genes encoding digestive enzymes when fed with either N‐limited or P‐limited algae, reflecting the compensatory feeding. Under P‐limitation, both growth rate and reproduction rate of D. magna were greatly reduced, which could be attributed to the downregulated genes within the pathways of cell cycle and DNA replication. Growth rate of D. magna under N‐limitation was similar to normal group, which could be explained by the high methylation level (by degradation of methionine) supporting the body development.

Phenotypic changes of D. magna under nutrient stress were explained by gene and pathway regulations from transcriptome data. Generally, D. magna invested more on growth under N‐limitation but kept maintenance (e.g., cell structure and defense to external stress) in priority under P‐limitation. Post‐translational modifications (e.g., methylation and protein folding) were important for D. magna to deal with nutrient constrains.

This study reveals the fundamental mechanisms of zooplankton in dealing with elemental imbalanced diet and sheds light on the transfer of energy and nutrient in aquatic ecosystems.
Comparing spiraling‐ and transport‐based approaches to estimate in‐stream nutrient uptake length from pulse additions
Authors: Finkler Nícolas Reinaldo , Gücker Björn , Boëchat Iola Gonçalves , Tromboni Flavia , Thomas Steven Arnold , Mendes Ludmilson Abritta , Lima Daniel Moura Fontes , Covino Tim , Emanuelson Karin , Ponce de León Claudia , Fernandes Cunha Davi Gasparini
Published: July 2021

The distance that a nutrient travels as a solute before its removal from the stream water column is known as the uptake length (SW), which is a functional indicator of environmental quality and integrity. Among nutrient enrichment methods, instantaneous nutrient addition (e.g., slug or pulse) have been proposed as an alternative to plateau and labeled nutrient approaches. Two approaches have been commonly used to estimate SW and its associated metrics (i.e., areal uptake rate, U; and uptake velocity, Vf) from pulse additions: the spiraling approach, based on the longitudinal variation in nutrient concentrations, and the transport modeling approach, based on the advective and dispersive transport of solutes. However, little is known in how the choice of such analytical methods impacts the estimation of stream uptake parameters and the conclusions we draw from them. Here, we estimated the SW and Vf of ammonium‐nitrogen (NH4‐N) and soluble reactive phosphorus (SRP) from 16 pulsed additions conducted in four low‐order streams in southeastern Brazil. We compared metrics estimated by the Tracer Additions for Spiraling Curve Characterization (TASCC) and the One‐Dimensional Transport with Inflow and Storage (OTIS) methods, based on the spiraling‐ and transport‐based approaches, respectively. The TASCC:OTIS SW ratio averaged 0.71 for NH4‐N and 1.01 for SRP, whereas the mean of TASCC:OTIS Vf ratio was 2.04 for NH4‐N and 1.03 for SRP. The results showed that both SW and Vf estimates differed significantly between methods for NH4‐N, but no statistical differences were observed in SRP estimates. In our study, we highlighted the significant effects of transient storage and variable nutrient concentration on pulsed enrichments. Such information should be considered when choosing which method is appropriate to use for a particular site. Differences between modeling approaches must be addressed when comparing methods to expand our knowledge on broad temporal and spatial patterns of in‐stream nutrient uptake.
Space use and interactions of two introduced mesopredators, European red fox and feral cat, in an arid landscape
Authors: Roshier David A. , Carter Andrew
Published: July 2021

Introduced mammalian predators are drivers of species decline and extinction globally. The successful management and control of introduced mammalian predators is dependent on some knowledge of space use and movements in order to target a population and monitor outcomes. In Australia, these tasks are made complex as there is more than one significant introduced mammalian predator, namely the European red fox Vulpes vulpes and feral cat Felis catus, the landscapes are vast, and individual‐level interactions between predators are little studied. The impact of these two introduced predators is large and a significant factor in the extinction of many of the country’s small‐ to medium‐sized mammals, either regionally or globally. In a three‐year study, we used high‐frequency location data, the deployment of the latest GPS tracking technologies, and recent advances in statistical modeling to examine how these two species distributed themselves in space, the degree to which individual distributions overlapped, intra‐ and interspecific interactions, and temporal patterns of activity in an arid landscape. In the absence of an apex predator, the two introduced mesopredators showed large differences in how they distribute themselves across the landscape and interact with conspecifics. The red fox mostly occupies defined territories, while most feral cats roam apparently independent of each other with occasional periods of frequent interaction with conspecifics of either sex. Intraspecific attraction was strongest in cats, while interspecific avoidance was observed in both directions. The home ranges of feral cats that were range‐resident were 3–3.5 times larger than foxes in the same landscape. Notably, we observed long‐distance movements in feral cats and some were displaced up to 164 km from their point of release. A greater portion of the feral cat population were non‐sedentary and therefore likely less amenable to local control efforts than foxes. Given the different patterns of distribution in time and space, the reliable monitoring of population trends or estimates of abundance will necessarily differ in extent, intensity, or duration for the same level of precision and/or require a different method for monitoring each population.