bluuebunny/crossref_metadata_2025 huggingface dataset:
In vivo toxicity of bioreactor-grown biomass and exopolysaccharides from Malaysian tiger milk mushroom mycelium for potential future health applications
Authors: Usuldin Siti Rokhiyah Ahmad , Wan-Mohtar Wan Abd Al Qadr Imad , Ilham Zul , Jamaludin Adi Ainurzaman , Abdullah Nur Raihan , Rowan Neil
Published: November 2021

Natural mycelial biomass (MB) and exopolysaccharides (EPS) of Malaysian tiger milk mushroom Lignosus rhinocerus are considered high-end components due to their high commercial potential value in drug discovery. This study aims to evaluate the toxicity of the mushroom extracts’ generated in a bioreactor using the zebrafish embryo toxicity (ZFET) model assay as a new therapy for treating asthma. Both MB and EPS extracts, at concentrations 0.16–10 mg/mL, were tested for ZFET and early development effects on Zebrafish Embryos (ZE) during 24–120 h post-fertilisation (HPF). Findings revealed that MB was deemed safe with an LC50 of 0.77 mg/mL; the EPS were non-toxic (LC50 of 0.41 mg/mL). Neither MB nor EPS delayed hatching nor teratogenic defects in the treated ZE at a 2.5 mg/mL dose. There were no significant changes in the ZE heart rate after treatments with MB (130 beats/min) and EPS (140 beats/min), compared to that of normal ZE (120–180 beats/min). Mixing both natural compounds MB and EPS did not affect toxicity using ZFET testing; thus, intimating their safe future use as therapeutic interventions. This represents the first study to have used the ZFET assay on MB and EPS extracts of L. rhinocerus for future health applications.
Distinctive prosodic features of people with autism spectrum disorder: a systematic review and meta-analysis study
Authors: Asghari Seyedeh Zahra , Farashi Sajjad , Bashirian Saeid , Jenabi Ensiyeh
Published: November 2021

In this systematic review, we analyzed and evaluated the findings of studies on prosodic features of vocal productions of people with autism spectrum disorder (ASD) in order to recognize the statistically significant, most confirmed and reliable prosodic differences distinguishing people with ASD from typically developing individuals. Using suitable keywords, three major databases including Web of Science, PubMed and Scopus, were searched. The results for prosodic features such as mean pitch, pitch range and variability, speech rate, intensity and voice duration were extracted from eligible studies. The pooled standard mean difference between ASD and control groups was extracted or calculated. Using I2statistic and Cochrane Q-test, between-study heterogeneity was evaluated. Furthermore, publication bias was assessed using funnel plot and its significance was evaluated using Egger’s and Begg’s tests. Thirty-nine eligible studies were retrieved (including 910 and 850 participants for ASD and control groups, respectively). This systematic review and meta-analysis showed that ASD group members had a significantly larger mean pitch (SMD =  − 0.4, 95% CI [− 0.70, − 0.10]), larger pitch range (SMD =  − 0.78, 95% CI [− 1.34, − 0.21]), longer voice duration (SMD =  − 0.43, 95% CI [− 0.72, − 0.15]), and larger pitch variability (SMD = − 0.46, 95% CI [− 0.84, − 0.08]), compared with typically developing control group. However, no significant differences in pitch standard deviation, voice intensity and speech rate were found between groups. Chronological age of participants and voice elicitation tasks were two sources of between-study heterogeneity. Furthermore, no publication bias was observed during analyses (p > 0.05). Mean pitch, pitch range, pitch variability and voice duration were recognized as the prosodic features reliably distinguishing people with ASD from TD individuals.
Discovery of a novel powdery mildew (Blumeria graminis) resistance locus in rye (Secale cereale L.)
Authors: Vendelbo N. M. , Mahmood K. , Sarup P. , Kristensen P. S. , Orabi J. , Jahoor A.
Published: November 2021

Powdery mildew is one of the most destructive diseases in the world, causing substantial grain yield losses and quality reduction in cereal crops. At present 23 powdery mildew resistance genes have been identified in rye, of which the majority are in wheat-rye translocation lines developed for wheat improvement. Here, we investigated the genetics underlying powdery mildew resistance in the Gülzow-type elite hybrid rye (Secale cerealeL.) breeding germplasm. In total, 180 inbred breeding lines were genotyped using the state-of-the-art 600 K SNP array and phenotyped for infection type against three distinct field populations ofB. graminisf. sp.secalisfrom Northern Germany (2013 and 2018) and Denmark (2020). We observed a moderate level of powdery mildew resistance in the non-restorer germplasm population, and by performing a genome-wide association study using 261,406 informative SNP markers, we identified a powdery mildew resistance locus, provisionally denotedPmNOS1,on the distal tip of chromosome arm 7RL. Using recent advances in rye genomic resources, we investigated whether nucleotide-binding leucine-rich repeat genes residing in the identified 17 Mbp block associated withPmNOS1on recent reference genomes resembled knownPmgenes.
Dual vortex breakdown in a two-fluid whirlpool
Authors: Skripkin Sergey G. , Sharifullin Bulat R. , Naumov Igor V. , Shtern Vladimir N.
Published: November 2021

Looking for an optimal flow shape for culture growth in vortex bioreactors, an intriguing and impressive structure has been observed that mimics the strong swirling flows in the atmosphere (tornado) and ocean (waterspout). To better understand the flow nature and topology, this experimental study explores the development of vortex breakdown (VB) in a lab-scale swirling flow of two immiscible fluids filling a vertical cylindrical container. The rotating bottom disk drives the circulation of both fluids while the sidewall is stationary. The container can be either sealed with the still top disk (SC) or open (OC). As the rotation strength (Re) increases, a new circulation cell occurs in each fluid—the dual VB. In case SC, VB first emerges in the lower fluid at Re = 475 and then in the upper fluid at Re = 746. In case OC, VB first emerges in the upper fluid at Re = 524 and then in the lower fluid at Re = 538. The flow remains steady and axisymmetric with the interface and the free surface being just slightly deformed in the studied range of Re. Such two-VB swirling flows can provide efficient mixing in aerial or two-fluid bioreactors.
The impact of surgery on long-term survival of patients with primary intestinal non-Hodgkin lymphomas based on SEER database
Authors: Zhang Cuifen , Zhang Xiaohong , Liu Zeyu , Tao Jiahao , Lin Lizhu , Zhai Linzhu
Published: November 2021

Evidence regarding the need for surgery for primary intestinal non-Hodgkin lymphoma (PINHL) patients with chemotherapy is limited and controversial. We aimed to investigate the specific impact of surgery on survival of PINHL patients. Data from PINHL patients (aged > 18 years) with chemotherapy between 1983 and 2015 were extracted from the Surveillance, Epidemiology, and End Results (SEER) database. We concerned about overall survival (OS) and improved cancer-specific survival (CSS). Propensity score matching (PSM) analysis was also used to explore the reliability of the results to further control for confounding factors. Finally, we screened 3537 patients. Multivariate regression analysis showed that patients with surgery and chemotherapy had better OS (hazard ratio [HR] 0.83; 95% confidence interval [CI] 0.75–0.93; p = 0.0009) and CSS (HR 0.87; 95% CI 0.77–0.99; p = 0.0404) compared with the non-operation group after adjusting for confounding factors. After PSM analysis, compared with non-surgery, surgery remained associated with improved OS (HR 0.77; 95% CI 0.68–0.87; p < 0.0001) and improved CSS (HR 0.82; 95% CI 0.72–0.95; p = 0.008) adjusted for baseline differences. In the large cohort of PINHL patients with chemotherapy older than 18 years, surgery was associated with significantly improved OS and CSS before and after PSM analysis.
Electromembranes for Water Treatment Driven by Electricity
Authors: Liao Junbin , Shi Wenhui , Shen Jiangnan
Published: November 2021

Electromembranes or “charged membranes”, representing ion-exchange membranes (IEMs), have been used in numerous processes, which are rather different in their basic concept, their practical applications, and their technical relevance. The IEM-based technologies, such as common electrodialysis (ED), bipolar membrane electrodialysis (BMED), capacitive deionization (CDI), and continuous electrodeionization (EDI), have further extended the range of applications of electromembrane processes beyond their traditional use in water treatment. The term “electromembrane process” is used to describe an entire family of processes that can be quite different in their basic concept and their application. But they are all based on the coupling of mass transport with an electrical current through ion perm-selective membrane. Electromembranes are used to remove ionic components such as salts from electrolyte solutions or to produce certain compounds such as NaOH and Cl2 from NaCl solutions. This chapter is concentrated mainly on technically relevant electromembranes for common electrodialysis, BMED, CDI, MCDI, and EDI, related to water treatment driven by electricity. To better illustrate the electromembrane process, some investigations on electrode, spacer, and setup used for electrodialysis have been included. In addition, two typical water treatment cases are also taken as examples.
Mixed Matrix Membranes (MMMs) for Gas Separation
Authors: Molelekwa Gomotsegang Fred , Al-dhubhani Emad , Mazinani Saeed
Published: November 2021

During the past few decades, membranes have attracted more attention in various types of gas-based separation processes due to their inherent advantages including relatively low energy consumption, low investment cost, ease of operation and adaptability, high efficiency, low energy consumption, and environmental friendliness. Furthermore, mixed matrix membranes (MMMs) have been touted as an alternative to polymer and inorganic membranes due to their high separation performance as they provide a synergy of the original properties of the inorganic and organic mix. The MMM could be produced either in a symmetric or an asymmetric shape through solution blending, in-situ sol gel method, and in-situ polymerization. The MMMs used in industrial applications are usually flat sheets or hollow fibers. In an attempt to ensure high selectivity and permeability during gas separation, different materials have been used to fabricate MMMs, which include glassy and rubbery polymers, as well as fillers such as zeolites, carbon molecular sieves, silica, metal oxides, metal–organic frameworks, and zeolite imidazolate frameworks. The MMMs’ fabrication challenges that include void formation and agglomeration, as well as the performance and optimization of these membranes, are discussed in this chapter. The chapter concludes by providing future research perspectives regarding the application of MMMs in gas separation.
Substrate-independent adsorption of nanoparticles as anti-biofilm coatings
Authors: Yi Shang-Yi , Lin Hsin-Yao , Yang Ling-Chu , Tseng Shao-Chin , Sun Aileen Y. , Chen Chihchen , Wan Dehui
Published: November 2021

A general silane-based method for immobilizing monolayer nanostructure arrays onto any type of substrate surface, especially for a diverse range of clinical implantable devices, regardless of the material or morphology of the substrate.
Finned hierarchical MOFs supported on cellulose for the selective adsorption of n-hexane and 1-hexene
Authors: Yin Xinyang , Zha Jie , Gregor Skyler , Ding Shengzhe , Alsuwaidi Ahmad , Zhang Xueyi
Published: November 2021

Finned hierarchical MOF particles (Cu(BDC) nanosheets as fins grown perpendicularly on Ni2(BDC)2(DABCO) hexagonal prisms) on modified cellulose support provides selective 1-hexene/n-hexane separation.
Coronene-embedded ‘super’ coumarins
Authors: Nitisha  , Chetti Prabhakar , Parthasarathy Venkatakrishnan
Published: November 2021

Non-planar π-enlarged coronenocoumarins achievedviapyranone annulation possess bright orange to red emission (in both solution and solid states) opening up avenues for bioimaging applications.
An activator-induced quencher-detachment-based turn-on probe with a cationic substrate moiety for acetylcholinesterase
Authors: Oe Masahiro , Miki Koji , Masuda Akito , Nogita Kohei , Ohe Kouichi
Published: November 2021

A choline ester-grafted turn-on fluorescence probe for acetylcholine esterase (AChE) was developed based on fine-tuned activator-induced quencher-detachment.
Individual concave twin ZnO microdisks with optical resonances
Authors: Chen Yumin , Liu Zhen , Qiu Xiaohui , Liu Xinfeng
Published: November 2021

Concave twin microdisk optical resonators: concave twin ZnO microdisks enclosed by high-energy facets show Fabry–Pérot resonances and anisotropic photoluminescence properties at room temperature.
Deep-blue-emitting nanoaggregates from carbazole-based dyes in water
Authors: Li Xiaohui , Zhang Qi , Zhang Xin
Published: November 2021

Amphiphilic carbazole-based dyes assemble in water into deep-blue-emitting helical nanoaggregates with relatively high fluorescence quantum yields by self-complementary, antiparallel H-bonding and π–π stacking interactions.
Au(i)-mediated N2-elimination from triazaphospholes: a one-pot synthesis of novel N2P2-heterocycles
Authors: Yue Erlin , Dettling Lea , Sklorz Julian A. W. , Kaiser Selina , Weber Manuela , Müller Christian
Published: November 2021

N-Sulfonyl-1,2,3,4-triazaphospholes undergo a highly selective and unprecedented transformation to cyclo-1,3-diphospha(iii)-2,4-diazane-Au(i) complexes in the presence of stoichiometric amounts of AuCl·S(CH3)2 and loss of N2.
Cobalt-catalyzed alkyne hydrosilylation as a new frontier to selectively access silyl-hydrocarbons
Authors: Park Jung-Woo
Published: November 2021

This article describes recent advances on cobalt-catalyzed regioselective alkyne hydrosilylations enabled by delicate ligand design.
Nucleophilic borylation of fluorobenzenes with reduced arylboranes
Authors: Budy Hendrik , Prey Sven E. , Buch Christoph D. , Bolte Michael , Lerner Hans-Wolfram , Wagner Matthias
Published: November 2021

Two challenging but rewarding topics in chemical synthesis are C–F-bond activation and development of B-centered nucleophiles. We have now tackled both subjects by forming aryl–B bonds via SNAr-type reactions on fluorobenzenes under mild conditions.
Multi-stimulus semiconductor Cu(i)–I-pyrimidine coordination polymer with thermo- and mechanochromic sensing
Authors: López Jesús , Murillo María , Lifante-Pedrola Ginés , Cantelar Eugenio , Gonzalez-Platas Javier , Rodríguez-Mendoza Ulises R. , Amo-Ochoa Pilar
Published: November 2021

The 1D-[Cu(aClpym)I]n coordination polymer behaves as an intelligent material with response to different stimuli since its emission is altered with temperature and with varying modes of pressure, making it a potential multi-response material.
Opportunities of striation-free crystal growth with ultrasound effect
Authors: Kozhemyakin Gennadiy Nikolaevich
Published: November 2021

Basic conditions for striation-free crystal growth by the Czochralski technique with the ultrasound effect developed and defined requirements for convection in the melt, a waveguide material, and the ultrasound intensity.
Monte carlo simulations and experiments of all-silica zeolite LTA assembly combining structure directing agents that match cage sizes
Authors: Bores Cecilia , Luo Song , David Lonergan J. , Richardson Eden , Engstrom Alexander , Fan Wei , Auerbach Scott M.
Published: November 2021

We investigated the influence of organic structure-directing agents (OSDAs) on the formation rates of all-silica zeolite LTA using both simulations and experiments, to shed light on the crystallization process.
Ultrafast molecular dynamics in ionized 1- and 2-propanol: from simple fragmentation to complex isomerization and roaming mechanisms
Authors: Mishra Debadarshini , Reino-González Juan , Obaid Razib , LaForge Aaron C. , Díaz-Tendero Sergio , Martín Fernando , Berrah Nora
Published: November 2021

Photoexcitation of 1- and 2-propanol initiates a variety of molecular dynamics such as fragmentation, hydrogen migration, and even possible methyl roaming (only in 2-propanol).
Collective dynamics of molecular rotors in periodic mesoporous organosilica: a combined solid-state 2H-NMR and molecular dynamics simulation study
Authors: De Nicola Antonio , Correa Andrea , Bracco Silvia , Perego Jacopo , Sozzani Piero , Comotti Angiolina , Milano Giuseppe
Published: November 2021

Molecular rotors offer a platform to realize controlled dynamics and modulate the functions of solids. The understanding of the motional mechanism in arrays of rotors is approached by combining molecular dynamics and 2H-NMR solid-state techniques.
Epitope mapping and the effects of various factors on the immunoreactivity of main allergens in egg white
Authors: Gazme Behzad , Rezaei Karamatollah , Udenigwe Chibuike C.
Published: November 2021

Optimizations of the processes may lead to a decline in the allergenicity levels of egg white proteins. Structural changes for the allergens in the gastrointestinal tract can in turn impact the allergenicities of egg white proteins.
Life cycle assessment of multistep benzoxazole synthesis: from batch to waste-minimised continuous flow systems
Authors: Osorio-Tejada Jose , Ferlin Francesco , Vaccaro Luigi , Hessel Volker
Published: November 2021

A comprehensive life cycle assessment of different 2-aryl benzoxazoles routes was performed to a flow chemistry approach, its batch equivalent, and other batch approaches to show how innovations in green chemistry and circularity result in real sustainability benefits.
Discovery of 3-chlorobenzyl-linked 1,9-diazaspiro[5.5]undecane derivatives, a lead for dengue virus type 2 infection
Authors: Gangireddy Madhu Sudhana Reddy , Badavath Vishnu Nayak , Velez Caroline , Loeanurit Naphat , Thakur Abhishek , Maddipati Venkatnarayana Chowdary , Katari Naresh Kumar , Acevedo Orlando , Boonyasuppayakorn Siwaporn , Gundla Rambabu
Published: November 2021

Dengue virus is a worldwide health threat with 400 million yearly infections. Given a lack in specific therapeutics, the current work reports DENV2 inhibitory activity in newly designed compounds that are more potent than the standard drug ribavirin.
Application of site-identification by ligand competitive saturation in computer-aided drug design
Authors: Goel Himanshu , Hazel Anthony , Yu Wenbo , Jo Sunhwan , MacKerell Alexander D.
Published: November 2021

The present article summarizes the various tools developed in the context of the SILCS methodology and their utility in computer-aided drug design (CADD) applications.
Synthesis and antifungal screening of tetramethyl hexahydro-1H-xanthene-1,8(2H)-dione derivatives as potential inhibitors of morphogenesis and biofilm formation inCandida albicans
Authors: Kasabe Umesh I. , Kale Kishor B. , Rode Nitin R. , Shelar Amruta V. , Patil Rajendra H. , Mhaske Pravin C. , Chaskar Manohar G.
Published: November 2021

A series of hexahydro-1H-xanthene-1,8(2H)-dione derivatives were synthesized. All the derivatives were screened for their anti-virulence properties againstCandida albicans.In silicostudies were performed to corroborate the experimentally observed facts.
Molten salt-assisted synthesis of special open-cell Fe, N co-doped porous carbon as an efficient electrocatalyst for zinc–air batteries
Authors: Gao Xiaoying , Xie Xuan , Sun Kanjun , Lei Xiaofei , Hou Tianyu , Peng Hui , Ma Guofu
Published: November 2021

Fe, N co-doped porous carbon (Fe–N–C) with open frame structure is prepared by molten salt-assisted pyrolysis strategy, which exhibits superior ORR performance and high specific capacity.
Synthesis of MFeO3/SBA-15 (M = La or Bi) for peroxymonosulfate activation towards enhanced photocatalytic activity
Authors: Zhao Qianqian , Long Mingyang , Li Hongmiao , Wen Qi , Li Di
Published: November 2021

MFeO3/SBA-15 was synthesized by a simple sol–gel method and was used to activate peroxymonosulfate for the degradation of doxycycline hydrochloride.
Ga2O3–Li3VO4/NC nanofibers toward superb high-capacity and high-rate Li-ion storage
Authors: Li Daobo , Xu Zhen , Zhang Dongmei , Pei Cunyuan , Li Tao , Xiao Ting , Ni Shibing
Published: November 2021

Porous Ga2O3–Li3VO4/N-doped C nanofibers consisting of ultrafine nanoparticles embedded in nanoflakes were designed and firstly prepared via electrospinning, showing superb high-rate Li-ion storage.
An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations
Authors: Firdoos Tahira , Kumar Pretam , Radha Anu , Gomila Rosa M. , Frontera Antonio , Sood Puneet , Pandey Sushil K.
Published: November 2021

Two new thallium(i) compounds have been synthesized and structurally characterized. The existence of triel bonds in these compounds has been confirmed by HSA and DFT calculations using QTAIM and NCI plot index methods.
Highly dispersed rhodium atoms supported on defect-rich Co(OH)2for the chemoselective hydrogenation of nitroarenes
Authors: Fu Huan , Zhang Huan , Yang Guichun , Liu Jun , Xu Junyuan , Wang Peihuan , Zhao Ning , Zhu Lihua , Chen Bing Hui
Published: November 2021

0.54% Rh/Co(OH)2exhibited 100% selectivity for –NO2hydrogenation at >96% conversion for nitroarene hydrogenation. Its excellent catalytic performance is due to the interfacial effect of Rh–Co(OH)2and Rh in the form of single atoms and nanoclusters.
Preparation of monosodium 2-sulfoterephthalate to make a MIL-101(Cr)–SO3H catalyst
Authors: Lee Kuo-Tong , Pien Chien-Yi
Published: November 2021

MIL-101(Cr)-SO3H has excellent thermal and chemical stabilities, making it an ideal porous acid catalyst for many organic reactions and petrochemical industries. It's starting ligand can be lab-prepared.
An yttrium-organic framework based on a hexagonal prism second building unit for luminescent sensing of antibiotics and highly effective CO2 fixation
Authors: Ye Yu , Ge Bangdi , Meng Xianyu , Liu Yuchuan , Wang Shun , Song Xiaowei , Liang Zhiqiang
Published: November 2021

An yttrium-organic framework based on a hexagonal prism second building unit was constructed from nonanuclear yttrium(iii) and 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine for the luminescent sensing of antibiotics and highly effective CO2 fixation.
New shoots from old roots: multiple stimuli-responsive properties of a common tetraphenylethene derivative
Authors: Zhang Hongyan , Ma Baode , Lin Faxu , Yang Zhiyong , Huang Guangxi , Li Bing Shi , Tang Ben Zhong
Published: November 2021

Reversible tricolored mechanochromism and recyclable mechanoluminescence properties (new shoots) of a reported tetraphenylethene derivative (old roots) were explored.
Study of pyrolysis product distribution characteristics of lignite in the context of electrochemical catalytic gasification
Authors: Yang Fan , Yu Qingbo , Qi Zhenfei , Qin Qin
Published: November 2021

To support the effective utilization of lignite, which is abundant throughout China, and solve the problems associated with the existing common catalytic methods, electrochemical catalytic coal gasification (ECG) is proposed.
Visible light enabled [4+2] annulation reactions for anthracenone-furans from 2,3-dibromonaphthoquinone and phenylbenzofurans
Authors: Mao Zhimei , Huang Aimin , Ma Lin , Zhang Min
Published: November 2021

A facile visible light promoted [4 + 2] annulation reaction from readily available starting materials using an organo-photocatalyst gave anthracenone-furans with up to 95% yield in one-pot.
Identification of individual conformers in C4H6O isomers using conformer-specific vibrational spectroscopy
Authors: Park Sung Man , Kwon Chan Ho
Published: November 2021

We measured the conformer-specific vibrational spectra of C4H6O isomers in neutral and cationic states using IR resonant vacuum ultraviolet mass-analyzed threshold ionization (VUV-MATI) spectroscopy for the first time.
Effect of the electron donating group on the excited-state electronic nature and epsilon-near-zero properties of curcuminoid-borondifluoride dyes
Authors: Choi Kyu-Ri , Kim Dae Hyeon , Lee Yeon Ui , Placide Virginie , Huynh Steven , Yao Dandan , Canard Gabriel , Zaborova Elena , Mathevet Fabrice , Mager Loïc , Heinrich Benoît , Ribierre Jean-Charles , Wu Jeong Weon , Fages Frédéric , D'Aléo Anthony
Published: November 2021

Epsilon-near-zero (ENZ) properties have been reported in organic molecular films.
Towards a theoretically sound measure of chemistry students’ motivation; investigating rank-sort survey methodology to reduce response style bias
Authors: Wang Ying , Lewis Scott E.
Published: November 2021

Prior research has demonstrated the important role of chemistry students’ affect in academic performance. Likert-scale surveys are the most prevalent tools to measure students’ affect within chemistry education research, however, data collected through a Likert-scale survey may exhibit response style bias which can hinder accurately measuring students’ affect. This study investigates the utility of a novel survey methodology, termed rank-sort survey, in understanding students’ academic motivation in a general chemistry course. Informed by Q methodology, in a rank-sort survey participants rank a set of statements in terms of level of agreement with limits in place on how many items can be assigned a particular rank. In this investigation, a rank-sort survey was developed by using statements from an existing Likert-scale instrument, the Academic Motivation Survey in Chemistry. Data collected from the rank-sort surveys, compared to Likert-scale surveys, showed a better alignment with self-determination theory, the underlying theoretical framework, and a better ability to predict students’ academic performance in chemistry. The study also discusses which surveys in chemistry education research are likely to benefit from adopting a rank-sort approach.
Synchrotron-radiation spectroscopic identification towards diverse local environments of single-atom catalysts
Authors: Qiao Sicong , He Qun , Zhang Pengjun , Zhou Yuzhu , Chen Shuangming , Song Li , Wei Shiqiang
Published: November 2021

The unique structures of single-atom catalysts (SACs) endow them with widespread energy applications. This review summarized the achievements of multifarious synchrotron-radiation characterization methods in studying the local environments of SACs.
Tuning the Fe–N4 sites by introducing Bi–O bonds in a Fe–N–C system for promoting the oxygen reduction reaction
Authors: Jin Huihui , Zhu Jiawei , Yu Ruohan , Li Wenqiang , Ji Pengxia , Liang Lvhan , Liu Bingshuai , Hu Chenxi , He Daping , Mu Shichun
Published: November 2021

The Bi–O bonding near the Fe–N site regulates and endows the Fe electronic structure with a lower band gap, which promotes the oxygen reduction activity of the Fe–N site, and provides a new direction for the optimization of metal–N–C catalysts.
Highly efficient construction of hollow Co–Nx nanocube cage dispersion implanted with porous carbonized nanofibers for Li–O2 batteries
Authors: Peng Lichong , Sun Yaxin , Guo Shiquan , Li Congju
Published: November 2021

The integrated LOBs based on embedded or beaded Co–Nx hollow cages/porous carbon nanofibers respectively exhibited significantly reduced polarization contributed by cavity utilization and long-term cyclability dedicated by the skeleton stability.
DNA repair and gene editing: the director’s cut
Authors: Doughty Kelly , Baldock Robert A.
Published: November 2021

Novelists and screenwriters have bombarded our imaginations with the idea of genetic engineering. From superhero origin stories to theme parks inhabited by dinosaurs, the prospect of re-writing the genetic code has inspired many and raised many ethical questions. The potential for these tools in medicine and biological sciences to prevent genetic diseases is readily being explored. Recent successes include destruction of simian immunodeficiency virus DNA from infected rhesus macaque monkeys (synonymous to the human immunodeficiency virus). The diverse power of these tools is also helping to control mosquito populations and supress the spread of malaria. New gene-editing tools have made genome editing faster, more accurate and cheaper than ever before, but how do they work? And how do we know whether the desired edits will be made?
Bacterial respiration keeps amazing us in the 21st century
Authors: Hards Kiel , Cook Gregory , Jeuken Lars J.C.
Published: November 2021

The last two decades have seen some remarkable discoveries in bacterial bioenergetics. In this article, we highlight how important societal issues such as antimicrobial resistance and sustainable fuel production have led to a renewed focus on the bioenergetics of bacteria, which is only beginning to show us how much we have left to learn. Advances in technology, particularly through biophysics, have further contributed to a rapid progress in our understanding of the respiratory chain complexes in bacteria. Blue-sky research has seamlessly merged with solutions to societal problems and we stand on the precipice of a number of exciting discoveries in this field.
Impact of Vocal Effort on Respiratory and Articulatory Kinematics
Authors: Abur Defne , Perkell Joseph S. , Stepp Cara E.
Published: November 2021

Purpose:

The goal of this study was to examine the effects of increases in vocal effort, without changing speech intensity, on respiratory and articulatory kinematics in young adults with typical voices.

Method:

A total of 10 participants completed a reading task under three speaking conditions: baseline, mild vocal effort, and maximum vocal effort. Respiratory inductance plethysmography bands around the chest and abdomen were used to estimate lung volumes during speech, and sensor coils for electromagnetic articulography were used to transduce articulatory movements, resulting in the following outcome measures: lung volume at speech initiation (LVSI) and at speech termination (LVST), articulatory kinematic vowel space (AKVS) of two points on the tongue dorsum (body and blade), and lip aperture.

Results:

With increases in vocal effort, and no statistical changes in speech intensity, speakers showed: (a) no statistically significant differences in LVST, (b) statistically significant increases in LVSI, (c) no statistically significant differences in AKVS measures, and (d) statistically significant reductions in lip aperture.

Conclusions:

Speakers with typical voices exhibited larger lung volumes at speech initiation during increases in vocal effort, paired with reduced lip displacements. To our knowledge, this is the first study to demonstrate evidence that articulatory kinematics are impacted by modulations in vocal effort. However, the mechanisms underlying vocal effort may differ between speakers with and without voice disorders. Thus, future work should examine the relationship between articulatory kinematics, respiratory kinematics, and laryngeal-level changes during vocal effort in speakers with and without voice disorders.

Supplemental Material:

https://doi.org/10.23641/asha.17065457
Wideband end‐fire circularly polarised complementary source antenna for millimetre‐wave applications
Authors: Wang Jingxue , Wu Fan , Jiang Defu , Li Yujian
Published: November 2021

A millimetre‐wave end‐fire circularly polarised (CP) complementary source antenna is proposed. Circular polarisation is obtained by combining a quarter‐wave shorted patch and a planar electric dipole. A direct‐feeding method based on the use of substrate integrated coaxial line (SICL) is developed for wideband excitation of the antenna. The antenna element achieves a −10‐dB impedance bandwidth of more than 32.4% and a 3‐dB AR bandwidth of 30.1% with a stable gain around 5.5 dBic. To demonstrate higher antenna gain, a 1 × 4 CP antenna array fed by an SICL power divider is designed. Measurement of the fabricated prototype verifies that the CP antenna array achieves a gain up to 10.5 dBic. The competitive performances including wide bandwidth, stable gain, and simple planar configuration make the proposed CP antenna attractive for millimetre‐wave applications such as the fifth‐generation (5G) mobile communications and the next generation WiFi systems.
First look at the topology of reionisation redshifts in models of the epoch of reionisation
Authors: Thélie Emilie , Aubert Dominique , Gillet Nicolas , Ocvirk Pierre
Published: November 2021

Context. During the epoch of reionisation (EoR), the first stars and galaxies appeared while creating ionised bubbles that eventually percolated near z ∼ 6. These ionised bubbles and percolation process are closely scrutinised today because observations of neutral hydrogen will be carried on in the next decade with the Square Kilometre Array radio telescope, for instance. In the meantime, EoR studies are performed in semi-analytical and fully numerical cosmological simulations to investigate the topology of the process, for instance.

Aims. We analyse the topology of EoR models by studying regions that are under the radiative influence of ionisation sources. These regions are associated with peak patches of the reionisation redshift field, for which we measure the general properties such as their number, size, shape, and orientation. We aim to gain insights into the geometry of the reionisation process and its relation to the matter distribution, for example. We also assess how these measurements can be used to quantify the effect of physical parameters on the EoR models or the differences between fully numerical simulations and semi-analytical models.

Methods. We used the framework of Morse theory and persistent homology in the context of the EoR, which was investigated via the DisPerSE algorithm on gas density and redshift of reionisation maps. We analysed different EoR scenarios with semi-analytical 21cmFAST and fully numerical EMMA simulations.

Results. We can distinguish between EoR models with different sources using simple analyses of the number, shape, and size distributions of the reionisation redshift patches. For every model (of the semi-analytical and fully numerical simulations), we statistically show that these bubbles are rather prolate and aligned with the underlying gas filaments. Moreover, we briefly highlight that the percolation process of HII bubbles during the EoR can be followed by studying the reionisation redshift fields with different persistence thresholds. Finally, we show that fully numerical EMMA simulations can be made consistent with 21cmFAST models in this topological framework as long as the source distribution is diffuse enough.
Peptidradiorezeptor-Therapie (PRRT)
Authors: Buck Andreas K. , Lapa Constantin , Weich Alexander , Higuchi Takahiro , Hasenauer Natalie , Hänscheid Heribert , Werner Rudolf A.
Published: November 2021

Neuroendokrine Neoplasien (NEN) stellen ein komplexes, heterogenes Krankheitsbild dar, wobei der Primärtumorlokation meist im Gastrointestinaltrakt lokalisiert ist. Als „Orphan Disease“ sind NEN zwar selten, werden aber primär durch eine verbesserte bildgebende Diagnostik in den letzten Jahren verstärkt diagnostiziert. Hierbei spielt die Somatostatinrezeptor (SSTR)-gerichtete molekulare Bildgebung eine große Rolle, insbesondere die Einzelphotonen-Emissions-Computertomografie (SPECT) sowie die Positronen-Emissions-Tomografie (PET). Neben einer exakten Ausbreitungsdiagnostik generiert die SSTR-gerichtete Bildgebung auch eine Therapierationale für eine Peptidradiorezeptortherapie (PRRT) in einem sog. „theranostischen“ Ansatz. Hierbei wird ein β-Strahler mit dem identischen Peptid des diagnostischen SPECT-/PET-Gegenstücks gekoppelt, um somit eine gezielte, SSTR-gerichtete Bestrahlung von NEN und metastatischer Läsionen zu ermöglichen. Das daraus resultierende „heiße“ Somatostatinanalogon kann als hocheffektives Radiotherapeutikum mit akzeptablem Nebenwirkungsprofil eingesetzt werden, was bereits in einer randomisierten, prospektiven, multizentrischen Studie belegt wurde. Die PRRT erfolgt in Deutschland stationär auf einer nuklearmedizinischen Isotopenstation, wobei Indikation, Durchführung und Nachsorge dieser zielgerichteten Therapie in einem interdisziplinären Ansatz in enger Absprache mit Kolleg*innen der Inneren Medizin, der Medizinphysik und Nuklearmedizin erfolgen sollte. Mit Lutathera (177Lu-Oxodotreotid) steht seit Kurzem ein in Deutschland zugelassenes Arzneimittel zur SSTR-gerichteten Therapie zur Verfügung, womit die PRRT verstärkt Anwendung finden dürfte.
More than just an experiment? Politicians arguments behind introducing participatory budgeting in Budapest
Authors: Oross Dániel , Kiss Gabriella
Published: November 2021

As deliberative and participatory practices play a greater role in political decision-making of democratic political systems in many parts of the world, political parties must adapt to demands of an increasingly more cognitively mobilized citizenry. While there is a growing body of literature about the functioning of such procedures in different social and political contexts, little is known about politicians’ reasons behind introducing them. Based on qualitative data collected among Hungarian politicians, this paper brings evidence to empirically assess why local politicians introduced Participatory Budgeting in Budapest, Hungary. Our findings suggest that politicians accept theoretical arguments for promoting citizens’ participation, newly elected local politicians expect to increase their party’s local embeddedness by creating new contact opportunities and emphasize that the introduction of Participatory Budgeting is a ground for experimentation. The article ends with a discussion about arguments that are put forth in the literature on European Participatory Budgeting but missing from the views of politicians, and concludes by highlighting the risks of institutionalizing Participatory Budgeting.
Probes to measure kinetic and magnetic phenomena in plasmas
Authors: Stenzel Reiner L. , Urrutia J. Manuel
Published: November 2021

Diagnostic tools are of fundamental importance in experimental research. In plasma physics, probes are usually used to obtain the plasma parameters, such as density, temperature, electromagnetic fields, and waves. This Review focuses on low-temperature plasma diagnostics where in situ probes can be used. Examples of in situ and remote diagnostics will be shown, proven by many experimental verifications. This Review starts with Langmuir probes and then continues with other diagnostics such as waves, beams, and particle collectors, which can provide high accuracy. A basic energy analyzer has been advanced to measure distribution functions with three-dimensional velocity resolution, three directions in real space and time resolution. The measurement of the seven-dimensional distribution function is the basis for understanding kinetic phenomena in plasma physics. Non-Maxwellian distributions have been measured in magnetic reconnection experiments, scattering of beams, wakes of ion beams, etc. The next advance deals with the diagnostics of electromagnetic effects. It requires magnetic probes that simultaneously resolve three field components, measured in three spatial directions and with time resolution. Such multi-variable data unambiguously yield field topologies and related derivatives. Examples will be shown for low frequency whistler modes, which are force-free vortices, flux ropes, and helical phase rotations. Thus, with advanced probes, large data acquisition and fast processing further advance in the fields of kinetic plasma physics and electromagnetic phenomena can be expected. The transition from probes to antennas will also be stimulated. Basic research with new tools will also lead to new applications.
Density dependence of the excitation gaps in an undoped Si/SiGe double-quantum-well heterostructure
Authors: Chen D. , Cai S. , Hsu N.-W. , Huang S.-H. , Chuang Y. , Nielsen E. , Li J.-Y. , Liu C. W. , Lu T. M. , Laroche D.
Published: November 2021

We report low-temperature magneto-transport measurements of an undoped Si/SiGe asymmetric double quantum well heterostructure. The density in both layers is tuned independently utilizing top and bottom gates, allowing the investigation of quantum wells at both imbalanced and matched densities. Integer quantum Hall states at total filling factor νT=1 and νT=2 are observed in both density regimes, and the evolution of their excitation gaps is reported as a function of the density. The νT=1 gap evolution departs from the behavior generally observed for valley splitting in the single layer regime. Furthermore, by comparing the νT=2 gap to the single particle tunneling energy, ΔSAS, obtained from Schrödinger–Poisson (SP) simulations, evidence for the onset of spontaneous interlayer coherence is observed for a relative filling fraction imbalance smaller than ∼50%.
Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications
Authors: Biswas Arpan , Morozovska Anna N. , Ziatdinov Maxim , Eliseev Eugene A. , Kalinin Sergei V.
Published: November 2021

Optimization of materials’ performance for specific applications often requires balancing multiple aspects of materials’ functionality. Even for the cases where a generative physical model of material behavior is known and reliable, this often requires search over multidimensional function space to identify low-dimensional manifold corresponding to the required Pareto front. Here, we introduce the multi-objective Bayesian optimization (MOBO) workflow for the ferroelectric/antiferroelectric performance optimization for memory and energy storage applications based on the numerical solution of the Ginzburg–Landau equation with electrochemical or semiconducting boundary conditions. MOBO is a low computational cost optimization tool for expensive multi-objective functions, where we update posterior surrogate Gaussian process models from prior evaluations and then select future evaluations from maximizing an acquisition function. Using the parameters for a prototype bulk antiferroelectric (PbZrO3), we first develop a physics-driven decision tree of target functions from the loop structures. We further develop a physics-driven MOBO architecture to explore multidimensional parameter space and build Pareto-frontiers by maximizing two target functions jointly—energy storage and loss. This approach allows for rapid initial materials and device parameter selection for a given application and can be further expanded toward the active experiment setting. The associated notebooks provide both the tutorial on MOBO and allow us to reproduce the reported analyses and apply them to other systems (https://github.com/arpanbiswas52/MOBO_AFI_Supplements).
Temporal dynamics of strongly coupled epsilon near-zero plasmonic systems
Authors: Ebrahim Mehdi H. , Marini Andrea , Bruno Vincenzo , Kinsey Nathaniel , Khurgin Jacob B. , Faccio Daniele , Clerici Matteo
Published: November 2021

Subwavelength epsilon-near-zero (ENZ) films with decorated nanoantennae are an emerging platform for coupling radiation into the ENZ mode: recent experiments have shown how strong coupling between the two systems underpins significant nonlinear effects. Field enhancement and the temporal dynamic of the radiation in ENZ films strongly coupled with plasmonic antennae play a substantial role in the light–matter interaction, and the latter has not yet been fully disclosed. We numerically investigate the pulse shaping of radiation impinging on two representative strongly coupled systems: a transparent conductive oxide with ENZ in the NIR band (ITO) and a polar material with ENZ in the MIR (SiC). In both cases, we demonstrate that the temporal dynamics and field enhancement are particularly pronounced within the strong coupling region, and we highlight the different polarization responses of the ITO-based case from the SiC one. The latter, owing to lower losses, shows extreme reshaping of resonant radiation close to the ENZ spectral region and is, therefore, a promising candidate for slow-light-enhanced effects.
Designing stable 2D materials solely from VIA elements
Authors: Yuan Jun-Hui , Xue Kan-Hao , Wang Jiafu , Miao Xiangshui
Published: November 2021

While the stability of tellurene is generally unsatisfactory among 2D materials, we show that elements from group-VIA may constitute stable 2D materials through the design principle of ionic bonding. In particular, a 2D wide-bandgap semiconductor, TeO3 monolayer with the CrI3-type crystal structure, has been predicted. High kinetic, thermodynamic, and mechanical stabilities have been confirmed by means of first-principles calculations. Remarkably, due to the van Hove singularities in the valence band electronic structures, TeO3 monolayer possesses tunable magnetism and half-metallicity with hole doping or elemental substitution. The corresponding Curie temperatures is above the room temperature according to the results of mean field approximation calculations. Furthermore, the carrier mobilities, exfoliation features, origin of high stability, and possible applications are discussed in detail. The TeO3 monolayer can serve as promising candidates for future nanoelectronics and spintronics applications. SeO3 and SO3 in the same 2D structure are also investigated.
Multiple mechanisms of the low temperature photoresponse in niobium diselenide
Authors: Jin Yunmin , Ji Zijie , Gu Feifan , Xie Binghe , Zhang Ruan , Wu Jiaxin , Cai Xinghan
Published: November 2021

Niobium diselenide (NbSe2) is a layered transition metal dichalcogenide with novel quantum phases at low temperatures (T) such as superconductivity and charge density wave order. While its electronic correlations and the interaction between electrons and other collective modes have been explored extensively, a detailed study of the transport behavior of photo-excited charge carriers still remains elusive. Here, we report a systematic investigation of the photoresponse generated in homogenous NbSe2 nano-flakes near the superconducting critical temperature (Tc). By combining scanning photocurrent microscopy and classic photoconductivity measurements, three distinctive mechanisms of the photoresponse are established, including the band bending at the NbSe2–metal junction, the perturbation of the superconducting state, and the photo-bolometric effect. Among them, the photo-induced phase transition from the superconducting to normal state results in an extremely large photocurrent, which is tunable by the bias voltage and is consistent with the observation via the electrical transport characterization. The photoresponsivity of our device reaches 42.3 A/W, and the response time is less than 2 μs at T = 3.8 K for an excitation in the visible wavelength, whose performance could be further improved by optimizing the device design and the experimental condition. Our result sheds light on ultrasensitive broadband photodetection with atomically thin NbSe2 and points to a potential means of probing the correlated electronic phases by exploring light–matter interactions.
Angle resolved second harmonic technique for precise evaluation of spin orbit torque in strong perpendicular magnetic anisotropy systems
Authors: Shirokura Takanori , Hai Pham Nam
Published: November 2021

A low field second harmonic technique has been widely used for evaluation of spin orbit torque (SOT) despite it cannot distinguish SOT from various thermal effects such as the ordinary Nernst effect, anomalous Nernst effect, and spin Seebeck effect. In this paper, we show how thermal effects can lead to significant underestimation or overestimation of spin orbit torque from the low field second harmonic data. We propose a generalized angle resolved second harmonic technique to separate spin orbit torque from various contributions of thermal effects, which allows us to precisely estimate SOT in strong perpendicular magnetic anisotropy systems.