bluuebunny/crossref_metadata_2025 huggingface dataset:
-adic characterization of minimal ternary dendric shifts
Authors: GHEERAERT FRANCE , LEJEUNE MARIE , LEROY JULIEN
Published: September 2021

Dendric shifts are defined by combinatorial restrictions of the extensions of the words in their languages. This family generalizes well-known families of shifts such as Sturmian shifts, Arnoux–Rauzy shifts and codings of interval exchange transformations. It is known that any minimal dendric shift has a primitive$\mathcal {S}$-adic representation where the morphisms in$\mathcal {S}$are positive tame automorphisms of the free group generated by the alphabet. In this paper, we investigate those$\mathcal {S}$-adic representations, heading towards an$\mathcal {S}$-adic characterization of this family. We obtain such a characterization in the ternary case, involving a directed graph with two vertices.
Smelling Things: Essential Oils and Essentialism in Contemporary American Spirituality
Authors: Ganga Kieffer Kira
Published: September 2021

Contemporary yogis, evangelical Christians, and witches have incorporated essential oils and their aromas into practices as diverse as yoga, meditation, prayer, Bible reading, anointing, and spellcasting in the United States over the past forty years. These groups often view each other with alarm, yet they tread common ground in utilizing essential oils to intensify varied spiritual practices. This article answers two related questions. How do spiritually diverse practitioners justify using the same consumer products to amplify their practices, and why are essential oils considered sacred by these same consumers? Drawing from a diverse archive of essential oil use guides, marketing materials, and social media posts, I argue that spiritual “oilers” are (1) perennialists who mythologize ancient uses of scent to authenticate their postmodern embodied practices, and (2) essentialists who believe that essential oils contain universal, transcendent properties. Consequently, oilers’ beliefs and practices blur classifications between traditions and sharpen our attention to the importance of the sense of smell in contemporary spirituality. This project contributes to studies of spirituality and consumerism by offering a comparative analysis of how three groups use smell, via essential oils, to intensify their individual spiritual practices as well as their collective identities as oilers.
Why Non-Democracy Engages with Western Democracy-Promotion Programs
Authors: Cho Sungmin
Published: September 2021

Between the mid-1990s and the mid-2010s, the Chinese government was distinctly open to the Western offer of democracy-assistance programs. It cooperated with a number of Western organizations to improve the rule of law, village elections, administrative capacity, and civil society in China. Why did the Chinese government engage with democracy promoters who tried to develop these democratic attributes within China? The author argues that the government intended to use Western aid to its advantage. The Chinese Communist Party had launched governance reforms to strengthen its regime legitimacy, and Chinese officials found that Western democracy assistance could be used to facilitate their own governance-reform programs. The article traces the process of how the government’s strategic intention translated into policies of selective openness, and includes evidence from firsthand interviews, propaganda materials, and research by Chinese experts. The findings show how democracy promoters and authoritarian leaders have different expectations of the effects of limited democratic reform within nondemocratic systems. Empirically, reflecting on the so-called golden years of China’s engagement with the West sheds new light on the Chinese Communist Party’s survival strategy through authoritarian legitimation.
AN ANALYTICAL APPROXIMATION FORMULA FOR THE PRICING OF CREDIT DEFAULT SWAPS WITH REGIME SWITCHING
Authors: HE XIN-JIANG , LIN SHA
Published: September 2021

We derive an analytical approximation for the price of a credit default swap (CDS) contract under a regime-switching Black–Scholes model. To achieve this, we first derive a general formula for the CDS price, and establish the relationship between the unknown no-default probability and the price of a down-and-out binary option written on the same reference asset. Then we present a two-step procedure: the first step assumes that all the future information of the Markov chain is known at the current time and presents an approximation for the conditional price under a time-dependent Black–Scholes model, based on which the second step derives the target option pricing formula written in a Fourier cosine series. The efficiency and accuracy of the newly derived formula are demonstrated through numerical experiments.
Astrobiology in Europe, 20 years of expectations
Authors: Brack André
Published: September 2021

During 20 years, the European astrobiologists collaborated within EANA, the European Astrobiology Network Association, to help European researchers developing astrobiology programmes to share their knowledge, to foster their cooperation, to attract young scientists to this quickly evolving interactive field of research, and to explain astrobiology to the public at large. The experiment of Stanley Miller in 1953 launched the ambitious hope that chemists would be able to shed light on the origins of life by recreating a simple life form in a test tube. However, the dream has not yet been accomplished, despite the great volume of effort and innovation put forward by the scientific community.
Factors associated with surrogate families’ life-sustaining treatment preferences for patients at home or in a geriatric health service facility: A cross-sectional study
Authors: Shaku Fumio , Tsutsumi Madoka , Nakamura Asumi , Takagi Hiroshi , Otsuka Takahiro , Maruoka Shuichiro
Published: September 2021

Objective

Recently, end-of-life preference in palliative care has been gaining attention in Japan. The Ministry of Health, Labor, and Welfare established the Japanese basic policy in November 2018. Patients’ decision-making is recommended; however, patients with dementia or other disorders cannot make such decisions by themselves. Thus, healthcare providers may contact surrogates and consider their backgrounds for better decision-making. Hence, the preferences of home caregivers’ and geriatric health service facility (GHSF) residents’ families on patient life-sustaining treatment (LST) were investigated.

Method

This cross-sectional study involved home caregivers’ and GHSF residents’ families in Japan. We distributed 925 self-reported questionnaires comprising items, such as the number of people living together, care duration, comprehension of doctor's explanations, the Patient Health Questionnaire (PHQ)-9 and Short Form (SF)-8, and families’ LST preference for patients.

Results

In all, 619 valid responses were obtained [242 men and 377 women (309 in the HOME Caregivers Group, response rate = 61.1%; 310 in the GHSF Group, response rate = 74.0%)]. LST preference was significantly associated with sex, the number of people living together, care duration, and comprehension of doctors’ explanations in the HOME Caregivers Group but was not significantly associated with the GHSF Group. Furthermore, PHQ-9/SF-8 scores were not significantly associated with LST preference.

Significance of results

There were many differences in opinions about LST preference between home caregivers’ and GHSF residents’ families. The results suggested that the burden of nursing care was greater and harder in home caregiver families, and these factors may be related to the LST preference for a patient.
Stratosphere‐Troposphere Exchange of Air Masses and Ozone Concentrations Based on Reanalyses and Observations
Authors: Wang Mingcheng , Fu Qiang
Published: September 2021

This study estimates the stratosphere–troposphere exchange (STE) of air masses and ozone concentrations averaged over 2007 to 2010 using the Modern Era Retrospective‐Analyses for Research and Applications 2 (MERRA2) and ERA5 reanalyses, and observations. The latter includes Microwave Limb Sounder (MLS) for ozone, MLS and Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) for temperatures, and A‐Train measurements for diabatic heating. The extratropical downward ozone fluxes are 538 Tg year−1 from the ERA5 reanalysis, 543 Tg year−1 from the MERRA2 reanalysis, and 528–539 Tg year−1 from the observations, consistent with previous studies. Previous studies, however, did not consider tropical upward ozone flux. Here we show that the tropical upward ozone flux is 183–193 Tg year−1, which compensates about 35% of the extratropical downward ozone fluxes and should not be neglected. After considering the tropical upward ozone flux, the global ozone STE is 346 Tg year−1 from the ERA5 reanalysis, 360 Tg year−1 from the MERRA2 reanalysis, and 336–346 Tg year−1 from the observations. Those estimates (347 ± 12 Tg year−1) can be used as the contribution of ozone STE to the tropospheric ozone budget. We also investigate cloud radiative effects on the STE of air mass and ozone. At 380 K, cloud radiative effects enhance downward fluxes in the extratropics from both reanalyses and observation, but reduce and enhance upward fluxes in the tropics from reanalyses and observation, respectively. The discrepancy in the tropics is related to the tropical tropopause layer thin cirrus that is missing in the reanalyses. We find that cloud radiative effects enhance the global ozone STE by about 21%–29%.
Uncovering Key Elements of an Executive Functioning Intervention in Adolescents: Epilepsy Journey
Authors: Gutierrez-Colina Ana M. , Clifford Lisa , Wade Shari L. , Modi Avani C.
Published: September 2021

Objective: The extent to which tailored executive functioning (EF) interventions lead to improvements in other areas of functioning in adolescents with epilepsy is unknown. The types of problems that youth select to practice EF skills during tailored interventions has not been documented. This study aimed to systematically evaluate (a) the EF problems and strategies selected during a tailored EF intervention for youth with epilepsy, and (b) the impact of a tailored intervention on specific problems for subgroups who choose to practice EF skills in those areas. Method: We conducted secondary data analyses of a proof-of-concept clinical trial of a tailored Web based EF intervention for youth with epilepsy. Baseline and two-months postintervention questionnaire data were included. A coding system was developed to identify the problem domains that adolescents targeted during treatment. Descriptive statistics and paired sample t-tests were used to examine whether adolescents who identified specific EF problems improved on specific domains. Results: Coding revealed 8 domains: Academics, Activities of Daily Living, Family, Social, Adherence, Healthy Habits/Self-care, Sleep, and Emotion/Stress. Significant improvements were noted on “Academics,” “Emotion/Stress,” and “Sleep” domains for those who applied EF skills to those domains. Conclusions: Tailored EF interventions such as Epilepsy Journey are related not only to improvements in broad EF skills, but also to improvements across areas of functioning that adolescents identify as important. Clinically, EF skills may be more effectively learned when adolescents directly apply EF skills to the problems they identify as most salient.

Implications for Impact Statement

This article presents a systematic evaluation of the types of executive functioning (EF) problems endorsed by adolescents with epilepsy during a tailored EF intervention, and identifies the areas of functioning most affected by these deficits. The differential impact of a tailored EF intervention on these areas of functioning is also documented, and implications for clinical practice and EF training are discussed.
MXene-GaN van der Waals metal-semiconductor junctions for high performance multiple quantum well photodetectors
Authors: Luo Lingzhi , Huang Yixuan , Cheng Keming , Alhassan Abdullah , Alqahtani Mahdi , Tang Libin , Wang Zhiming , Wu Jiang
Published: September 2021

A MXene-GaN-MXene based multiple quantum well photodetector was prepared on patterned sapphire substrate by facile drop casting. The use of MXene electrodes improves the responsivity and reduces dark current, compared with traditional Metal-Semiconductor-Metal (MSM) photodetectors using Cr/Au electrodes. Dark current of the device using MXene-GaN van der Waals junctions is reduced by three orders of magnitude and its noise spectral intensity shows distinct improvement compared with the traditional Cr/Au–GaN–Cr/Au MSM photodetector. The improved device performance is attributed to low-defect MXene-GaN van der Waals interfaces. Thanks to the high quality MXene-GaN interfaces, it is possible to verify that the patterned substrate can locally improve both light extraction and photocurrent collection. The measured responsivity and specific detectivity reach as high as 64.6 A/W and 1.93 × 1012 Jones, respectively, making it a potential candidate for underwater optical detection and communication. The simple fabrication of MXene-GaN-MXene photodetectors spearheaded the way to high performance photodetection by combining the advantages of emerging 2D MXene materials with the conventional III-V materials.
Fast and slow EQCM response of zwitterionic weak electrolytes to changes in the electrode potential: a pH-mediated mechanism
Authors: Leppin Christian , Langhoff Arne , Poggemann Hanna-Friederike , Gödde Alexander Simon , Johannsmann Diethelm
Published: September 2021

Using a fast electrochemical quartz crystal microbalance (EQCM), zwitterionic electrolytes were studied with regard to changes of resonance frequency and resonance bandwidth after the electrode potential was switched.
Phenylboronic acid-based core–shell drug delivery platform clasping 1,3-dicarbonyl compounds by a coordinate interaction
Authors: Jung Sungjin , Lee Junseok , Kim Won Jong
Published: September 2021

Robust drug delivery platform utilizing coordination bonding between 1,3-dicarbonyl and phenylboronic acid is demonstrated, implying the potential of our strategy for the delivery of 1,3-dicarbonyl compounds.
Amidinothiourea as a new deposition-regulating additive for dendrite-free lithium metal anodes
Authors: Lei Ying , Xie Yuxiang , Huang Yixin , Wang Qiong , Li Zhengang , Wu Xiaohong , Qiao Yu , Dai Peng , Huang Ling , Hua Yingjie , Wang Chongtai , Sun Shigang
Published: September 2021

The ATU electrolyte additive can adsorb on Li metal surfaces to suppress decomposition of electrolytes and inhibit lithium dendrite growth.
Mass spectrometry enables the discovery of inhibitors of an LPS transport assembly via disruption of protein–protein interactions
Authors: Fiorentino Francesco , Rotili Dante , Mai Antonello , Bolla Jani R. , Robinson Carol V.
Published: September 2021

We employed a native MS-based method to quantify the dimerisation equilibrium of the LPS transport protein LptH. We then assessed the activity of the LPS transport inhibitor IMB-881 and identified new quinoline derivatives as LptH dimer disruptors.
Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: access to the synthesis of chromeno[4,3-b]pyrroles
Authors: Li Xiaohu , Huang You
Published: September 2021

A methodology is developed to construct a series of chromeno[4,3-b]pyrrole derivatives efficiently via a phosphine-catalyzed cyclization reaction of γ-vinyl allenoates with aldimine esters.
Multicomponent crystals of clotrimazole: a combined theoretical and experimental study
Authors: Li Chang , Wu Di , Li Jiulong , Ji Xu , Qi Luguang , Sun Qin , Wang Aiyu , Xie Chuang , Gong Junbo , Chen Wei
Published: September 2021

Compared with clotrimazole, some multicomponent crystals showed an improvement in solubility and dissolution rate.
Prediction of the standard potentials for one-electron oxidation ofN,N,N′,N′ tetrasubstitutedp-phenylenediamines by calculation
Authors: Andersen Cecilie L. , Lacerda Evanildo G. , Christensen Jørn B. , Sauer Stephan P. A. , Hammerich Ole
Published: September 2021

It is important to investigate the effect of the basis set size and the treatment of electron correlation when calculating the one-electron oxidation potentials forN,N,N′,N′ tetrasubstitutedp-phenylenediamines.
Janus PtXO (X = S, Se) monolayers: the visible light driven water splitting photocatalysts with high carrier mobilities
Authors: Shen Haonan , Zhang Yang , Wang Guangzhao , Ji Weixiao , Xue Xiaoming , Zhang Wei
Published: September 2021

High carrier mobilities with built-in electric fields make Janus PtXO peculiar candidates for the visible-light driven water splitting photocatalysts.
Perspective of structural flexibility on selective inhibition towards CYP1B1 over CYP1A1 by α-naphthoflavone analogs
Authors: Wang Ying , Hu Baichun , Zhang Yupeng , Wang Dong , Luo Zhaohu , Wang Jian , Zhang Fengjiao
Published: September 2021

The structural flexibility of protein domains mainly orchestrated the sustainability of crucial π–π stacking interactions with the key phenylalanine residues of CYP1A1 and CYP1B1, thereby determining the inhibitory selectivity towards CYP1B1.
Predicted intrinsic piezoelectric ferromagnetism in Janus monolayer MnSbBiTe4: a first principles study
Authors: Guo San-Dong , Wang Meng-Xia
Published: September 2021

An intriguing 2D piezoelectric ferromagnetism MnSbBiTe4 with high d11.
Magnetic anisotropies of Ho(iii) and Dy(iii) single-molecule magnets experimentally determined via polarized neutron diffraction
Authors: Klahn Emil A. , Thiel Andreas M. , Degn Rasmus B. , Kibalin Iurii , Gukassov Arsen , Wilson Claire , Canaj Angelos B. , Murrie Mark , Overgaard Jacob
Published: September 2021

The magnetic anisotropy of two isostructural Ho- and Dy-containing pentagonal-bipyramidal complexes have been obtained using polarized neutron diffraction.
Heavy-element–ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles
Authors: Vazquez-Lima Hugo , Conradie Jeanet , Johansen Martin A. L. , Martinsen Stian Rølvaag , Alemayehu Abraham B. , Ghosh Abhik
Published: September 2021

Unlike molybdenum-oxo corroles, molybdenum-dichlorido Viking helmet corroles are noninnocent, with substantial corrole radical character.
Rylene- and diaza-rylene-derived cobalt clusters for solid-state pyrolysis towards undoped and N-doped carbon nanoparticles
Authors: Werner Simon , Vollgraff Tobias , Sundermeyer Jörg
Published: September 2021

A set of four tetraalkynyl rylene and diaza-rylene (L) templated clusters of the type [LCo8(CO)24] was synthesized and fully characterized. Their solid state pyrolysis led to carbon nanoparticles of different shapes depending on the C : N and C : Co ratio.
Lateral voltage as a new input for artificial lipid bilayer systems
Authors: Ma Teng , Sato Madoka , Komiya Maki , Kanomata Kensaku , Watanabe Takaya , Feng Xingyao , Miyata Ryusuke , Tadaki Daisuke , Hirose Fumihiko , Tozawa Yuzuru , Hirano-Iwata Ayumi
Published: September 2021

We introduced a lateral voltage as a new input for use in artificial lipid bilayer systems in addition to the commonly used transmembrane voltage. The results indicate that the lateral voltage effectively regulates the transmembrane current.
Droplet contact-based spheroid transfer technique as a multi-step assay tool for spheroid arrays
Authors: Kim Hwisoo , Roh Hyewon , Kim Haseong , Park Je-Kyun
Published: September 2021

A spheroid array can be sequentially treated with various reagents using a droplet contact-based spheroid transfer platform.
Correction: The vascular niche in next generation microphysiological systems
Authors: Ewald Makena L. , Chen Yu-Hsi , Lee Abraham P. , Hughes Christopher C. W.
Published: September 2021

Correction for ‘The vascular niche in next generation microphysiological systems’ by Makena L. Ewald et al., Lab Chip, 2021, DOI: 10.1039/d1lc00530h.
Stain-free identification of tissue pathology using a generative adversarial network to infer nanomechanical signatures
Authors: Neary-Zajiczek Lydia , Essmann Clara , Rau Anita , Bano Sophia , Clancy Neil , Jansen Marnix , Heptinstall Lauren , Miranda Elena , Gander Amir , Pawar Vijay , Fernandez-Reyes Delmiro , Shaw Michael , Davidson Brian , Stoyanov Danail
Published: September 2021

Sample-wide elastic modulus is inferred from unstained images of frozen liver tissue sections. Distribution parameters can predict tissue pathology for use as an intraoperative diagnostic tool.
Cooperative transport by flocking phototactic micromotors
Authors: Zhang Jianhua , Mou Fangzhi , Wu Zhen , Song Jiaqi , Kauffman Joshua E. , Sen Ayusman , Guan Jianguo
Published: September 2021

Flocking TiO2 micromotors are able to cooperatively manipulate multiple and different types of large cargoes under the photochemical navigation of UV light.
MWCNT-mesoporous silica nanocomposites inserted in a polyhedral metal–organic framework as an advanced hybrid material for energy storage device
Authors: Andikaey Zahra , Ensafi Ali A. , Rezaei Behzad , Malek Shaghayegh Sadeghi , Hu Jin-Song
Published: September 2021

Hybridizing of trimetallic HKUST-1 with mesoporous SBA/CNT is highly desirable fot the improvement of energy and power densities in supercapacitors.
CuAg nanoparticle/carbon aerogel for electrochemical CO2reduction
Authors: Wang Wenbo , Lu Runqing , Xiao Xinxin , Gong Shanhe , Sam Daniel Kobina , Liu Bin , Lv Xiaomeng
Published: September 2021

A small sized CuAg heterostructure anchored by a silk fibroin-derived carbon aerogel exhibits electrocatalytic CO2-to-CO conversion.
Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons
Authors: Yan Juzhang , Zheng Xiurong , Zheng Yangqing , Zhan Ruoting , Huang Huicai
Published: September 2021

Chiral squaramide catalyzed Michael reaction of chromone-fused dienes with 3-homoacyl coumarins to produce enantioenriched coumarin chromone derivatives.
NocU is a cytochrome P450 oxygenase catalyzing N-hydroxylation of the indolic moiety during the maturation of the thiopeptide antibiotics nocathiacins
Authors: Guo Heng , Bai Xuebing , Yang Qian , Xue Yufeng , Chen Dandan , Tao Jiang , Liu Wen
Published: September 2021

We here report NocU as a cytochrome P450 oxygenase responsible for the N-hydroxylation of the indolic moiety during the maturation of nocathiacins (NOCs) by isolation and structure characterization of nosiheptide U (NOS-U).
Atroposelective carbonylation of aryl iodides with amides: facile synthesis of enantioenriched cyclic and acyclic amides
Authors: Chen Li-Ping , Chen Jiang-Fei , Zhang Yu-Jiao , He Xing-Yi , Han Ya-Fei , Xiao Yu-Ting , Lv Gui-Fen , Lu Xin , Teng Fan , Sun Qing , Li Jin-Heng
Published: September 2021

An unprecedented palladium-catalyzed asymmetric carbonylation of ArI with carbon monoxide (CO) to expand a class of atroposelective cyclic and acyclic amides in good yields with high enantioselectivities has been reported.
Excess chemical potential of thiophene in [C4MIM] [BF4, Cl, Br, CH3COO] ionic liquids, determined by molecular simulations
Authors: Velarde-Salcedo Marco V. , Sánchez-Badillo Joel , Gallo Marco , López-Lemus Jorge
Published: September 2021

Excess chemical potential of thiophene in imidazolium-based ionic liquids [C4mim][BF4], [C4mim][Cl], [C4mim][Br], and [C4mim][CH3COO] determined by molecular simulations.
Recent developments in the kinetics of ruptures of giant vesicles under constant tension
Authors: Karal Mohammad Abu Sayem , Ahamed Md. Kabir , Ahmed Marzuk , Mahbub Zaid Bin
Published: September 2021

The kinetics of ruptures of giant vesicles under constant tension have been investigated under various conditions, which will help in the application of these techniques in the biomedical, bioengineering, and biotechnological fields.
Wetting behavior of zirconia nanotubes
Authors: Vakamulla Raghu Swathi Naidu , Killian Manuela Sonja
Published: September 2021

In this work, we investigate the wettability of octadecylphosphonic acid (OPA) self-assembled monolayer (SAM) modified ZrO2 nanotubes (ZrNT) of varied morphologies synthesized via electrochemical anodization of zirconium.
Reduction and oxidation kinetics of NiWO4 as an oxygen carrier for hydrogen storage by a chemical looping process
Authors: González-Vargas P. E. , Salinas-Gutiérrez J. M. , Meléndez-Zaragoza M. J. , Pantoja-Espinoza J. C. , López-Ortiz A. , Collins-Martínez V.
Published: September 2021

H2 storage of NiWO4 with a volumetric storage density of 496 g L−1 was studied and evaluated under a chemical looping reaction scheme by TGA. Results confirms the high potential of NiWO4 to current oxygen carriers reported in the literature.
A simple electrochemical sensor based on rGO/MoS2/CS modified GCE for highly sensitive detection of Pb(ii) in tobacco leaves
Authors: Guo Chuanen , Wang Chengxiang , Sun Hongyan , Dai Dongmei , Gao Hongtao
Published: September 2021

High-performance electrode modification materials play a crucial role in improving the sensitivity of sensor detection in electrochemical determination of heavy metals.
Viologen–cucurbituril host/guest chemistry – redox control of dimerization versus inclusion
Authors: Dalvand Parastoo , Nchimi Nono Katia , Shetty Dinesh , Benyettou Farah , Asfari Zouhair , Platas-Iglesias Carlos , Olson Mark A. , Trabolsi Ali , Elhabiri Mourad
Published: September 2021

Two calix[4]arenes with two viologen units separated by 3 or 4 carbon atoms from the macrocyclic core were synthesized and led to the formation of [3]pseudorotaxanes when combined with CB[7] or CB[8].
A graphitic carbon nitride metal-free visible light photocatalyst with controllable carbon self-doping towards efficient hydrogen evolution
Authors: Lei Lin , Wang Weijia , Xie Zhengfeng , Wu Xiaobo , Yadav Arun Kumar , Müller-Buschbaum Peter , Fan Huiqing
Published: September 2021

The substitution of sp2-hybridized nitrogen atoms by carbon atoms in graphitic carbon nitride is beneficial for electron delocalization and suppresses radiative recombination due to the formation of a C–C bond.
Bridging the interfacial gap in mixed-matrix membranes by nature-inspired design: precise molecular sieving with polymer-grafted metal–organic frameworks
Authors: Cseri Levente , Hardian Rifan , Anan Shizuka , Vovusha Hakkim , Schwingenschlögl Udo , Budd Peter M. , Sada Kazuki , Kokado Kenta , Szekely Gyorgy
Published: September 2021

Porous nanoparticles with interfacial adhesiveness boost the selectivity of separation membranes to achieve size-selective nanofiltration.
CoTe nanoparticle-embedded N-doped hollow carbon polyhedron: an efficient catalyst for H2O2 electrosynthesis in acidic media
Authors: Zhang Longcheng , Liang Jie , Yue Luchao , Dong Kai , Xu Zhaoquan , Li Tingshuai , Liu Qian , Luo Yonglan , Liu Yang , Gao Shuyan , Asiri Abdullah M. , Kong Qingquan , Guo Xiaodong , Sun Xuping
Published: September 2021

CoTe nanoparticles embedded nitrogen-doped hollow carbon polyhedron (CoTe@NC) acts as a highly efficient 2e− O2 reduction reaction electrocatalyst with a high selectivity of up to 92.6% at 0.3 V, significantly outperforming CoTe and NC counterparts.
Direct laser writing of vapour-responsive photonic arrays
Authors: Delaney Colm , Qian Jing , Zhang Xia , Potyrailo Radislav , Bradley A. Louise , Florea Larisa
Published: September 2021

Combining structural design (led by FDTD simulations) and innovative hydrogel materials (via ionic liquid cosolvents), we fabricate dynamic responsive photonic arrays.
From nature to organic (bio)electronics: a review on melanin-inspired materials
Authors: Paulin João V. , Graeff Carlos F. O.
Published: September 2021

The progress on melanin's physical–chemical properties, synthesis, processing, and applications is discussed based on recent literature.
Enhancement in reliability‐constrained unit commitment considering state‐transition‐process and uncertain resources
Authors: Yuan Yiping , Zhang Yao , Wang Jianxue , Liu Zhou , Chen Zhe
Published: September 2021

The high penetration of uncertain resources challenges the security of power system operation. By taking the impact of rescheduling under contingencies into consideration, reliability‐constrained unit commitment (RCUC) is developed to address this challenge. Although several efforts have been made in modelling reliability constraints, the existing methods can only manage oversimplified low‐order temporal‐independent contingencies without considering wide‐range contingencies or their state‐transition‐process issue. To quantify the impact of rescheduling on the normal‐state scheduling process denoted by UC problem, this paper builds up a Bayesian inference method for encoding reliability constraints in wide‐range temporal‐dependent contingencies. Three predictors, for example, expected‐generator‐rescheduling‐power, expected‐energy‐not‐serviced and lost‐of‐load‐probability, are selected to describe the possible corrective behaviours in rescheduling process and quantified by using Bayesian inference method. Then, these predictors are reformatted as a set of linearized constraints to be incorporated into UC. The proposed RCUC comprehensively considers the effect of rescheduling in wide‐range temporal‐dependent contingencies. Therefore, it can reveal the influence of generator rescheduling in wide‐range contingencies and keep better reliability performance than those methods reported in previous RCUC studies. The modified IEEE 30‐bus test system and IEEE 118‐bus test system are used to show the proposed model's effectiveness.
How drifting and evaporating pebbles shape giant planets
Authors: Schneider Aaron David , Bitsch Bertram
Published: September 2021

Recent observations of extrasolar gas giants suggest super-stellar C/O ratios in planetary atmospheres, while interior models of observed extrasolar giant planets additionally suggest high heavy element contents. Furthermore, recent observations of protoplanetary disks revealed super-solar C/H ratios, which are explained by inward drifting and evaporating pebbles enhancing the volatile content of the disk. We investigate in this work how the inward drift and evaporation of volatile-rich pebbles influences the atmospheric C/O ratio and heavy element content of giant planets growing by pebble and gas accretion. To achieve this goal, we perform semi-analytical 1D models of protoplanetary disks, including the treatment of viscous evolution and heating, pebble drift, and simple chemistry to simulate the growth of planets from planetary embryos to Jupiter-mass objects by the accretion of pebbles and gas while they migrate through the disk. Our simulations show that the composition of the planetary gas atmosphere is dominated by the accretion of vapor that originates from inward drifting evaporating pebbles at evaporation fronts. This process allows the giant planets to harbor large heavy element contents, in contrast to models that do not take pebble evaporation into account. In addition, our model reveals that giant planets originating farther away from the central star have a higher C/O ratio on average due to the evaporation of methane-rich pebbles in the outer disk. These planets can then also harbor super-solar C/O ratios, in line with exoplanet observations. However, planets formed in the outer disk harbor a smaller heavy element content due to a smaller vapor enrichment of the outer disk compared to the inner disk, where the very abundant water ice also evaporates. Our model predicts that giant planets with low or large atmospheric C/O should harbor a large or low total heavy element content. We further conclude that the inclusion of pebble evaporation at evaporation lines is a key ingredient for determining the heavy element content and composition of giant planets.
eROSITA calibration and performance verification phase: High-mass X-ray binaries in the Magellanic Clouds
Authors: Haberl F. , Maitra C. , Carpano S. , Dai X. , Doroshenko V. , Dennerl K. , Freyberg M. J. , Sasaki M. , Udalski A. , Postnov K. A. , Shakura N. I.
Published: September 2021

Context.During its performance verification phase, the soft X-ray instrument eROSITA on board the Spektrum-Roentgen-Gamma (SRG) spacecraft observed large regions in the Magellanic Clouds in which almost 40 known high-mass X-ray binaries (HMXBs, including candidates) are located.

Aims.We looked for new HMXBs in the eROSITA data, searched for pulsations in HMXB candidates, and investigated the long-term behaviour of the full sample using archival X-ray and optical data.

Methods.For sufficiently bright sources, we performed a detailed spectral and temporal analysis of their eROSITA data. A source detection analysis of the eROSITA images in different energy bands provided count rates and upper limits for the remaining sources.

Results.We report the discovery of a new Be/X-ray binary in the Large Magellanic Cloud. The transient SRGEt J052829.5–690345 was detected with a 0.2–8.0 keV luminosity of~1035erg s−1. It exhibits a hard X-ray spectrum, typical for this class of HMXBs. The OGLEI-band light curve of theV~15.7mag counterpart shows large variations up to 0.75 mag, which occur with a quasi-period of~511 days. The eROSITA observations of the Small Magellanic Cloud covered 16 Be/X-ray binary pulsars, 5 of which were bright enough for an accurate determination of their current pulse period. The pulse periods for SXP 726 and SXP 1323 measured from eROSITA data are~800 s and~1006 s, respectively, which is very different from their discovery periods. Including archivalXMM-Newtonobservations, we update the spin-period history of the two long-period pulsars, which have shown nearly linear trends in their period evolution for more than 15 yr. The corresponding average spin-down rate for SXP 726 is 4.3 s yr−1, while SXP 1323 has a spin-up rate of –23.2 s yr−1. We discuss the spin evolution of the two pulsars in the framework of quasi-spherical accretion.
Krafttankstelle in Krisenzeiten – Heimtiere in der Pandemie
Authors: Junkers Anja
Published: September 2021

Die Nachfrage nach einem eigenen Tier ist im Lockdown gewachsen. Anja Junkers, die als Ergotherapeutin auch tiergestützt arbeitet, erläutert die Rolle von Hund, Katze und Co. in schwierigen Zeiten und ihre Wirkung auf den Menschen. Nicht zuletzt stellt sie sich die Frage: Was passiert mit den Tieren nach der Pandemie?
„Für die beste Entwicklung der Allerkleinsten“ – Frauenmilchbank-Initiative e.V.
Authors: Kerlen-Petri Katharina
Published: September 2021

Muttermilch ist vor allem für Frühgeborene und kranke Neugeborene wichtig. Doch was tun, wenn die Milch der eigenen Mutter nicht ausreicht? Hier setzt die bundesweit tätige Frauenmilchbank-Initiative an. Frauenmilchbanken sammeln, untersuchen, lagern und verteilen gespendete Muttermilch an Babys, die von ihrer Mutter keine Milch erhalten können.
α-Csp3–H Bond Functionalization of Simple Ethers in Radical Reactions
Authors: Feng Yanping , Ye Xiajuan , Huang Dayun , Guo Sheng-rong
Published: September 2021

The direct α-Csp3–H functionalization of simple ethers is a vital strategy among radical reactions. This review discusses their applications according to the starting materials: (1) reactions with alkenes or alkynes; (2) reactions with other unsaturated compounds; and (3) reactions with nucleophilic partners. Mechanisms like radical addition, C–H activation, elimination, metal-catalyzed coupling, cyclization, oxidation, and rearrangement will be analyzed herein.

1 Introduction

2 Reactions with Alkenes or Alkynes

3 Reactions with Other Unsaturated Compounds

4 Reactions with Nucleophilic Partners

5 Oxidation of Ethers

6 Conclusions
Goldilocks Effect of Base Strength on Site Selectivity in Acylation of Amphiphilic Diols
Authors: Portnoy Moshe , Fallek Reut , Ashush Natali , Fallek Amit
Published: September 2021

Two series of competitive acylation experiments with a polar and an apolar alcohol substrate, imitating two parts of amphiphilic diols, examined the influence of bases of varying strength on the substrate selectivity. While weakly basic 2,4,6-collidine only mildly accelerates the acylation of the polar substrate without affecting that of the apolar one, the acylation of both substrates is drastically hastened by strongly basic DBU. In both cases there is a notable, though not overwhelming, shift of the substrate selectivity towards the polar substrate, compared to the base-free acylation, which favors that of the apolar one. The extraordinarily strong change in the substrate selectivity in favor of the polar substrate was induced, however, by aliphatic tertiary amine bases, DIPEA and Et3N, of ‘Goldilocks’ moderate base strength, which strongly accelerate the acylation of the polar substrate, while almost not affecting that of the apolar one. These effects of the bases on the substrate selectivity are reflected in the site-selectivity trends observed in the acylation of a model diol amphiphile.
Condensation-Based Methods for the C–H Bond Functionalization of Amines
Authors: Seidel Daniel , Chen Weijie
Published: September 2021

This review aims to provide a comprehensive overview of condensation-based methods for the C–H bond functionalization of amines that feature azomethine ylides as key intermediates. These transformations are typically redox-neutral and share common attributes with classic name reactions such as the Strecker, Mannich, ­Friedel–Crafts, Pictet–Spengler, and Kabachnik–Fields reactions, while incorporating a redox-isomerization step. This approach provides an ideal platform to rapidly transform simple starting materials into complex amines.

1 Introduction

1.1 General Remarks

1.2 Overview

1.3 Scope of This Review

2 Aromatization of Cyclic Amines

2.1 Pyridines from Piperidine

2.2 Isoquinolines from Tetrahydroisoquinolines and Quinolines from Tetrahydroquinolines

2.3 Pyrroles from 3-Pyrroline or Pyrrolidine

2.4 Indoles from Indolines

3 Pericyclic Reactions

3.1 (3+2)-Dipolar Cycloadditions

3.2 6π-Electrocyclizations

3.3 1,5-Proton Shifts

4 Redox-Variants of Classic Transformations Incorporating a C–H Bond Functionalization Step

4.1 α-Cyanation

4.2 α-Alkynylation

4.3 α-Phosphonation

4.4 α-Arylation

4.5 α-Alkylation with Ketones

4.6 Redox-Ugi Reaction

4.7 Miscellaneous Intermolecular Reactions

5 Redox-Annulations

6 Reactions Involving β-C–H Bond Functionalization

7 Outlook
Individualised Homeopathic Medicine in the Treatment of Infertility: A Case Series
Authors: RajachandraSekar Bhuvaneswari , Nair Janardanan Kainikkara Raghavan , Sunny Anita , Manoharan Amrutha
Published: September 2021

Background Infertility is the inability of a person to conceive despite having carefully timed, unprotected sexual intercourse for 2 years. There are 80 to 168 million people worldwide who are suffering from infertility, resulting in feelings of failure, embarrassment or personal disappointments, which in turn lead to strained relationships with the spouse, family, and social circle. This study aimed to highlight the significance of using individualised homeopathic medicine in the treatment of infertility. In this study, seven couples suffering from infertility, who conceived after undergoing treatment at the National Homoeopathy Research Institute in Mental Health, Kottayam, were included.

Methods Significant improvement within a short period of treatment and the combined co-operative response from both partners were the key considerations for our selection of these seven cases from 12 successfully treated cases out of 20 couples in total. Detailed case studies were achieved for all seven couples. The individualised homeopathic medicines were prescribed after repertorisation based on confirmation with the authorised textbooks of Materia Medica. All couples were followed up on a monthly basis, and outcome measures of positive pregnancy (i.e., urine pregnancy test and ultrasonography of the pelvis) were evaluated.

Results All seven couples successfully conceived. Two of the couples showed a significant improvement of underlying symptoms within 2 months, whereas three responded within the third month of treatment. One of the couples conceived in the fourth month and the seventh couple took 8 months to have a successful pregnancy.

Conclusions Overall, the results of the case series indicate that individualised homeopathic medicines are useful in the management of infertility.
Bioresilience to Mercury Chloride of the Brine Shrimp Artemia Salina after Treatment with Homeopathic Mercurius Corrosivus
Authors: Pinto Andreia Adelaide G. , Nagai Mirian Y. de Oliveira , Coimbra Ednar Nascimento , Mohammad Suham Nowrooz , Silva Jefferson Souza , Von Ancken Adalberto , Pinto Sandra Augusta G. , Aguiar Michelle Sanchez , Dutra-Correa Maristela , Hortellani Marcos Antonio , Miranda Adriana , Sarkis Jorge Eduardo de Souza , Suffredini Ivana Barbosa , Peres Giovani Bravin , Bernardi Maria Martha , Cartwright Steven John , Bonamin Leoni Villano
Published: September 2021

Introduction Finding solutions to mitigate the impact of pollution on living systems is a matter of great interest. Homeopathic preparations of toxic substances have been described in the literature as attenuation factors for intoxication. Herein, an experimental study using Artemia salina and mercury chloride was developed as a model to identify aspects related to bioresilience.

Aims The aim of the study was to describe the effects of homeopathic Mercurius corrosivus (MC) on Artemia salina cysts hatching and on mercury bioavailability.

Methods Artemia salina cysts were exposed to 5.0 µg/mL of mercury chloride during the hatching phase. MC potencies (6cH, 30cH, and 200cH) were prepared in sterile purified water and poured into artificial sea water. Different controls were used (non-challenged cysts and challenged cysts treated with water, succussed water, and Ethilicum 1cH). Four series of nine experiments were performed to evaluate the percentage of cyst hatching. Soluble total mercury (THg) levels and precipitated mercury content were also evaluated. Solvatochromic dyes were used to check for eventual physicochemical markers of MC biological activity.

Results Significant delay (p < 0.0001) in cyst hatching was observed only after treatment with MC 30cH, compared with controls. This result was associated with an increase of THg concentration in water (p = 0.0018) and of chlorine/oxygen ratio (p < 0.0001) in suspended micraggregates, suggesting changes in mercury bioavailability. A specific interaction of MC 30cH with the solvatochromic dye ET33 (p = 0.0017) was found.

Conclusion Changes in hatching rate and possible changes in Hg bioavailability are postulated as protective effects of MC 30cH on Artemia salina, by improving its natural bioresilience processes.
Radiological Evaluation of Postsurgical Course of Perforators in Retrograde Posterior Tibial Fasciocutaneous Flaps for Distal Leg and Foot Defects
Authors: Agrawal Neeraj Kant , Bhattacharya Visweswar , Dubepuria Rahul
Published: September 2021

Background Mapping of vascular perforators by various methodologies have been described for planning of a variety of flaps in the lower limbs. We attempted to assess the changes in posterior tibial perforators after transfer of fasciocutaneous flaps for leg defects.

Methods 20 patients with distal leg and foot defects were studied by computed tomography angiography (CTA) and preoperative audio Doppler to ascertain perforators of posterior tibial artery. Fasciocutaneous flaps were raised, based on these perforators, depending on the site and size of soft-tissue defects. The number of perforators and their distance from the medial malleolus were also studied. Postoperative CTA was performed on the 7th to 10th day, with emphasis on postoperative changes of the perforators on which the flaps were based.

Results One to four posterior tibial perforators were found between 5 cm and 8 cm proximal to the medial malleolus. After flap transfer, the perforators could be traced to variable distance through the total length of the flap. The perforators formed small vascular loop in 12 patients, following retrograde posterior tibial flap transfer. The height of the loop, the number of such loops, the dilatation and tortuosity of the perforators, and their longitudinal orientation were studied in detail. Most of the findings can be explained by mechanical realignment of perforators as well as by the delay phenomenon associated with retrograde fasciocutaneous flaps.

Conclusion It was concluded that the morphological changes associated with the perforators explained the vascular rationality and success of these flaps.
Building the UK vision of a driverless future: A Parliamentary Inquiry case study
Authors: Tennant Chris , Howard Susan , Stares Sally
Published: September 2021

The UK Government has endorsed the case for autonomous vehicle (AV) technology and its economic benefits in its industrial strategies since 2013. In late 2016 the Science and Technology Committee in the House of Lords (the legislature’s upper chamber) conducted an Inquiry into the policy. We conduct a content analysis of the text corpus of the Inquiry. Drawing from theories of sociotechnical change we explore how it contributes to building a vision of a future AV world embedded in a national economic and technological project. The technology is framed as a solution to societal grand challenges and the Inquiry corpus is dominated by actors committed to the project. Alternative visions, including sceptical interpretations, are present in the corpus, but rare, reflecting the selection process for contributions to the Inquiry. Predominantly, the corpus represents the public as deficient: dangerous drivers, unaware of promised benefits and unduly anxious about the unfamiliar. Their views are marginal in this Parliamentary Inquiry’s findings. AV technology is one of several possible means to pursue wider mobility policy goals of greater safety, affordability, access and sustainability. Our analysis suggests that the pursuit of an AV future risks becoming a goal in itself instead of a means to these broader societal goals.
A pulse oxidation facility for the study of oxide nucleation behavior
Authors: Taylor Matthew , Mannava Venkateswara Rao , Bossen Aaron , Perepezko John H.
Published: September 2021

A pulse oxidation experimental facility was developed to examine the oxide nucleation behavior at different temperatures under a controlled oxygen atmosphere. An electromagnetic induction heater, a sample holder, and a controlled oxygen atmosphere are the key components of this facility. This experimental facility can also be used up to 1200 °C and Po2 levels from 1.3 × 10−5 to 0.1 Pa under isothermal conditions for times as short as 10 s. The efficacy of the method was illustrated by a study of the oxidation behavior of Ni-30 wt. % Cr at 600 °C for 45 s at Po2 of 1.3 × 10−2 Pa where the influence of grain orientation on oxidation behavior was highlighted by studying the nucleation rate on grains of known orientation. By using a single grain-orientation-mapped sample, pairs of grains each of known crystallographic orientation can be selected to be subjected to identical conditions. For example, new oxidation behavior was discovered where on a (111) oriented grain, corundum islands form with a nucleation density of 2.9 × 1011 islands/m2 and exhibited inward growth, whereas rock salt oxide islands formed on (100) grains at a density of 7 × 1012 islands/m2 and exhibited outward growth. The corundum oxide islands are in the range of 50–300 nm, whereas rock salt oxide islands are in the range of 50–600 nm and are well separated. The pulse oxidation facility with accurately controlled temperature and oxidation environment enables a new domain of study for the initial oxidation on bulk samples with a native oxide that represents realistic exposure conditions.